USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 632 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 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.61! K(o=-1.6!,f=-0.12) USER MOD Single : A 10 LYS NZ :NH3+ 167:sc= 0.559 (180deg=0.4) USER MOD Single : A 16 SER OG : rot -1:sc= 0.311 USER MOD Single : A 20 GLN : amide:sc= -0.0127 K(o=-0.013,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= -0.793 (180deg=-1.73!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0768 K(o=-0.077,f=-7.6!) USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00208) USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= 0.411 (180deg=-0.124) USER MOD Single : A 44 MET CE :methyl -163:sc= -0.134 (180deg=-0.599) USER MOD Single : A 46 THR OG1 : rot -45:sc= 1.21 USER MOD Single : A 51 GLN : amide:sc= 0.0127 K(o=0.013,f=-0.66) USER MOD Single : A 52 ASN : amide:sc= -0.0358 K(o=-0.036,f=-0.94) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -3.57! K(o=-3.6!,f=-0.076) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.709 USER MOD Single : A 72 ASN : amide:sc= -0.106 K(o=-0.11,f=-0.87) USER MOD Single : A 75 LYS NZ :NH3+ -170:sc= -5.45! (180deg=-5.95!) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 77 THR OG1 : rot 107:sc= -0.343 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0327 USER MOD Single : A 84 GLN : amide:sc=-0.00979 K(o=-0.0098,f=-0.57) USER MOD Single : A 86 LYS NZ :NH3+ -165:sc=-0.00573 (180deg=-0.115) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N ASP A 6 13.762 13.162 -2.011 1.00 0.94 N ATOM 63 CA ASP A 6 12.701 12.244 -2.384 1.00 0.82 C ATOM 64 C ASP A 6 11.411 13.029 -2.614 1.00 0.72 C ATOM 65 O ASP A 6 10.582 13.144 -1.713 1.00 0.76 O ATOM 66 CB ASP A 6 12.482 11.186 -1.286 1.00 0.88 C ATOM 67 CG ASP A 6 13.776 10.710 -0.649 1.00 1.03 C ATOM 68 OD1 ASP A 6 14.074 11.111 0.495 1.00 1.40 O ATOM 69 OD2 ASP A 6 14.504 9.929 -1.296 1.00 1.79 O ATOM 0 HA ASP A 6 12.987 11.730 -3.301 1.00 0.82 H new ATOM 0 HB2 ASP A 6 11.835 11.602 -0.513 1.00 0.88 H new ATOM 0 HB3 ASP A 6 11.959 10.331 -1.713 1.00 0.88 H new ATOM 74 N SER A 7 11.262 13.602 -3.805 1.00 0.68 N ATOM 75 CA SER A 7 10.060 14.357 -4.147 1.00 0.67 C ATOM 76 C SER A 7 8.850 13.430 -4.129 1.00 0.53 C ATOM 77 O SER A 7 8.802 12.460 -4.881 1.00 0.46 O ATOM 78 CB SER A 7 10.210 14.999 -5.533 1.00 0.77 C ATOM 79 OG SER A 7 9.070 15.772 -5.875 1.00 1.33 O ATOM 0 H SER A 7 11.958 13.558 -4.549 1.00 0.68 H new ATOM 0 HA SER A 7 9.918 15.149 -3.411 1.00 0.67 H new ATOM 0 HB2 SER A 7 11.097 15.632 -5.548 1.00 0.77 H new ATOM 0 HB3 SER A 7 10.361 14.221 -6.281 1.00 0.77 H new ATOM 0 HG SER A 7 9.198 16.168 -6.762 1.00 1.33 H new ATOM 85 N GLN A 8 7.885 13.735 -3.260 1.00 0.53 N ATOM 86 CA GLN A 8 6.730 12.865 -3.033 1.00 0.47 C ATOM 87 C GLN A 8 5.969 12.563 -4.321 1.00 0.48 C ATOM 88 O GLN A 8 5.370 11.496 -4.445 1.00 0.50 O ATOM 89 CB GLN A 8 5.781 13.472 -1.997 1.00 0.53 C ATOM 90 CG GLN A 8 6.409 13.639 -0.621 1.00 0.86 C ATOM 91 CD GLN A 8 5.391 13.930 0.467 1.00 1.25 C ATOM 92 OE1 GLN A 8 5.692 14.607 1.450 1.00 1.88 O ATOM 93 NE2 GLN A 8 4.183 13.410 0.308 1.00 1.57 N ATOM 0 H GLN A 8 7.881 14.586 -2.697 1.00 0.53 H new ATOM 0 HA GLN A 8 7.122 11.923 -2.650 1.00 0.47 H new ATOM 0 HB2 GLN A 8 5.442 14.445 -2.353 1.00 0.53 H new ATOM 0 HB3 GLN A 8 4.898 12.839 -1.910 1.00 0.53 H new ATOM 0 HG2 GLN A 8 6.956 12.731 -0.365 1.00 0.86 H new ATOM 0 HG3 GLN A 8 7.136 14.450 -0.656 1.00 0.86 H new ATOM 0 HE21 GLN A 8 3.972 12.854 -0.521 1.00 1.57 H new ATOM 0 HE22 GLN A 8 3.464 13.565 1.014 1.00 1.57 H new ATOM 102 N GLU A 9 5.989 13.489 -5.274 1.00 0.54 N ATOM 103 CA GLU A 9 5.360 13.249 -6.569 1.00 0.59 C ATOM 104 C GLU A 9 6.084 12.130 -7.309 1.00 0.51 C ATOM 105 O GLU A 9 5.466 11.173 -7.776 1.00 0.50 O ATOM 106 CB GLU A 9 5.360 14.519 -7.423 1.00 0.73 C ATOM 107 CG GLU A 9 4.465 15.620 -6.887 1.00 1.34 C ATOM 108 CD GLU A 9 4.459 16.841 -7.781 1.00 1.57 C ATOM 109 OE1 GLU A 9 3.669 16.872 -8.744 1.00 1.45 O ATOM 110 OE2 GLU A 9 5.239 17.784 -7.523 1.00 2.17 O ATOM 0 H GLU A 9 6.429 14.404 -5.177 1.00 0.54 H new ATOM 0 HA GLU A 9 4.326 12.952 -6.391 1.00 0.59 H new ATOM 0 HB2 GLU A 9 6.380 14.896 -7.495 1.00 0.73 H new ATOM 0 HB3 GLU A 9 5.041 14.265 -8.434 1.00 0.73 H new ATOM 0 HG2 GLU A 9 3.448 15.241 -6.786 1.00 1.34 H new ATOM 0 HG3 GLU A 9 4.800 15.904 -5.889 1.00 1.34 H new ATOM 117 N LYS A 10 7.403 12.247 -7.390 1.00 0.50 N ATOM 118 CA LYS A 10 8.220 11.251 -8.070 1.00 0.48 C ATOM 119 C LYS A 10 8.244 9.959 -7.260 1.00 0.38 C ATOM 120 O LYS A 10 8.222 8.874 -7.822 1.00 0.38 O ATOM 121 CB LYS A 10 9.639 11.788 -8.269 1.00 0.58 C ATOM 122 CG LYS A 10 10.298 11.416 -9.599 1.00 0.75 C ATOM 123 CD LYS A 10 10.654 9.937 -9.713 1.00 1.63 C ATOM 124 CE LYS A 10 9.562 9.127 -10.403 1.00 2.14 C ATOM 125 NZ LYS A 10 9.320 9.573 -11.801 1.00 2.55 N ATOM 0 H LYS A 10 7.931 13.024 -6.992 1.00 0.50 H new ATOM 0 HA LYS A 10 7.789 11.040 -9.049 1.00 0.48 H new ATOM 0 HB2 LYS A 10 9.614 12.875 -8.186 1.00 0.58 H new ATOM 0 HB3 LYS A 10 10.266 11.421 -7.456 1.00 0.58 H new ATOM 0 HG2 LYS A 10 9.626 11.683 -10.415 1.00 0.75 H new ATOM 0 HG3 LYS A 10 11.204 12.010 -9.725 1.00 0.75 H new ATOM 0 HD2 LYS A 10 11.586 9.832 -10.269 1.00 1.63 H new ATOM 0 HD3 LYS A 10 10.829 9.531 -8.717 1.00 1.63 H new ATOM 0 HE2 LYS A 10 9.841 8.073 -10.404 1.00 2.14 H new ATOM 0 HE3 LYS A 10 8.637 9.211 -9.833 1.00 2.14 H new ATOM 0 HZ1 LYS A 10 8.739 8.866 -12.295 1.00 2.55 H new ATOM 0 HZ2 LYS A 10 8.822 10.486 -11.793 1.00 2.55 H new ATOM 0 HZ3 LYS A 10 10.230 9.679 -12.294 1.00 2.55 H new ATOM 139 N VAL A 11 8.279 10.082 -5.940 1.00 0.34 N ATOM 140 CA VAL A 11 8.252 8.916 -5.064 1.00 0.30 C ATOM 141 C VAL A 11 7.011 8.079 -5.340 1.00 0.27 C ATOM 142 O VAL A 11 7.106 6.869 -5.517 1.00 0.31 O ATOM 143 CB VAL A 11 8.295 9.316 -3.570 1.00 0.31 C ATOM 144 CG1 VAL A 11 8.104 8.101 -2.675 1.00 0.39 C ATOM 145 CG2 VAL A 11 9.608 10.005 -3.242 1.00 0.37 C ATOM 0 H VAL A 11 8.326 10.976 -5.452 1.00 0.34 H new ATOM 0 HA VAL A 11 9.144 8.327 -5.277 1.00 0.30 H new ATOM 0 HB VAL A 11 7.476 10.011 -3.384 1.00 0.31 H new ATOM 0 HG11 VAL A 11 8.138 8.410 -1.630 1.00 0.39 H new ATOM 0 HG12 VAL A 11 7.138 7.642 -2.886 1.00 0.39 H new ATOM 0 HG13 VAL A 11 8.898 7.380 -2.866 1.00 0.39 H new ATOM 0 HG21 VAL A 11 9.621 10.280 -2.187 1.00 0.37 H new ATOM 0 HG22 VAL A 11 10.436 9.328 -3.451 1.00 0.37 H new ATOM 0 HG23 VAL A 11 9.710 10.903 -3.852 1.00 0.37 H new ATOM 149 N ALA A 12 5.860 8.737 -5.413 1.00 0.26 N ATOM 150 CA ALA A 12 4.600 8.063 -5.715 1.00 0.27 C ATOM 151 C ALA A 12 4.704 7.261 -7.013 1.00 0.26 C ATOM 152 O ALA A 12 4.234 6.122 -7.101 1.00 0.31 O ATOM 153 CB ALA A 12 3.483 9.087 -5.819 1.00 0.35 C ATOM 0 H ALA A 12 5.772 9.743 -5.266 1.00 0.26 H new ATOM 0 HA ALA A 12 4.378 7.367 -4.906 1.00 0.27 H new ATOM 0 HB1 ALA A 12 2.545 8.580 -6.044 1.00 0.35 H new ATOM 0 HB2 ALA A 12 3.389 9.620 -4.873 1.00 0.35 H new ATOM 0 HB3 ALA A 12 3.712 9.796 -6.614 1.00 0.35 H new ATOM 159 N ASP A 13 5.329 7.866 -8.014 1.00 0.26 N ATOM 160 CA ASP A 13 5.542 7.212 -9.302 1.00 0.32 C ATOM 161 C ASP A 13 6.572 6.095 -9.171 1.00 0.30 C ATOM 162 O ASP A 13 6.426 5.019 -9.750 1.00 0.42 O ATOM 163 CB ASP A 13 6.023 8.232 -10.337 1.00 0.39 C ATOM 164 CG ASP A 13 6.134 7.633 -11.724 1.00 0.59 C ATOM 165 OD1 ASP A 13 5.133 7.063 -12.213 1.00 0.86 O ATOM 166 OD2 ASP A 13 7.218 7.741 -12.338 1.00 0.67 O ATOM 0 H ASP A 13 5.700 8.815 -7.960 1.00 0.26 H new ATOM 0 HA ASP A 13 4.595 6.783 -9.630 1.00 0.32 H new ATOM 0 HB2 ASP A 13 5.332 9.075 -10.362 1.00 0.39 H new ATOM 0 HB3 ASP A 13 6.994 8.624 -10.034 1.00 0.39 H new ATOM 171 N GLU A 14 7.601 6.369 -8.385 1.00 0.25 N ATOM 172 CA GLU A 14 8.710 5.451 -8.185 1.00 0.35 C ATOM 173 C GLU A 14 8.238 4.138 -7.562 1.00 0.28 C ATOM 174 O GLU A 14 8.634 3.056 -8.007 1.00 0.32 O ATOM 175 CB GLU A 14 9.763 6.107 -7.287 1.00 0.53 C ATOM 176 CG GLU A 14 11.043 5.305 -7.150 1.00 1.18 C ATOM 177 CD GLU A 14 11.857 5.275 -8.427 1.00 1.35 C ATOM 178 OE1 GLU A 14 12.815 6.065 -8.550 1.00 1.53 O ATOM 179 OE2 GLU A 14 11.519 4.492 -9.332 1.00 2.05 O ATOM 0 H GLU A 14 7.690 7.241 -7.864 1.00 0.25 H new ATOM 0 HA GLU A 14 9.146 5.223 -9.157 1.00 0.35 H new ATOM 0 HB2 GLU A 14 10.004 7.092 -7.687 1.00 0.53 H new ATOM 0 HB3 GLU A 14 9.335 6.262 -6.296 1.00 0.53 H new ATOM 0 HG2 GLU A 14 11.648 5.729 -6.349 1.00 1.18 H new ATOM 0 HG3 GLU A 14 10.797 4.284 -6.857 1.00 1.18 H new ATOM 186 N ILE A 15 7.389 4.227 -6.534 1.00 0.22 N ATOM 187 CA ILE A 15 6.911 3.027 -5.850 1.00 0.19 C ATOM 188 C ILE A 15 6.177 2.131 -6.830 1.00 0.17 C ATOM 189 O ILE A 15 6.496 0.955 -6.974 1.00 0.22 O ATOM 190 CB ILE A 15 5.929 3.321 -4.691 1.00 0.21 C ATOM 191 CG1 ILE A 15 6.285 4.594 -3.927 1.00 0.25 C ATOM 192 CG2 ILE A 15 5.898 2.138 -3.736 1.00 0.29 C ATOM 193 CD1 ILE A 15 7.614 4.541 -3.209 1.00 0.33 C ATOM 0 H ILE A 15 7.024 5.104 -6.163 1.00 0.22 H new ATOM 0 HA ILE A 15 7.803 2.553 -5.439 1.00 0.19 H new ATOM 0 HB ILE A 15 4.944 3.477 -5.132 1.00 0.21 H new ATOM 0 HG12 ILE A 15 6.296 5.431 -4.625 1.00 0.25 H new ATOM 0 HG13 ILE A 15 5.500 4.797 -3.198 1.00 0.25 H new ATOM 0 HG21 ILE A 15 5.206 2.347 -2.920 1.00 0.29 H new ATOM 0 HG22 ILE A 15 5.570 1.247 -4.271 1.00 0.29 H new ATOM 0 HG23 ILE A 15 6.896 1.971 -3.331 1.00 0.29 H new ATOM 0 HD11 ILE A 15 7.787 5.486 -2.693 1.00 0.33 H new ATOM 0 HD12 ILE A 15 7.603 3.728 -2.483 1.00 0.33 H new ATOM 0 HD13 ILE A 15 8.412 4.371 -3.932 1.00 0.33 H new ATOM 200 N SER A 16 5.219 2.713 -7.530 1.00 0.18 N ATOM 201 CA SER A 16 4.366 1.956 -8.426 1.00 0.25 C ATOM 202 C SER A 16 5.161 1.370 -9.583 1.00 0.22 C ATOM 203 O SER A 16 4.919 0.239 -10.006 1.00 0.30 O ATOM 204 CB SER A 16 3.247 2.839 -8.956 1.00 0.32 C ATOM 205 OG SER A 16 3.751 4.060 -9.468 1.00 0.30 O ATOM 0 H SER A 16 5.013 3.711 -7.494 1.00 0.18 H new ATOM 0 HA SER A 16 3.934 1.130 -7.860 1.00 0.25 H new ATOM 0 HB2 SER A 16 2.704 2.310 -9.740 1.00 0.32 H new ATOM 0 HB3 SER A 16 2.534 3.044 -8.157 1.00 0.32 H new ATOM 0 HG SER A 16 4.724 4.085 -9.356 1.00 0.30 H new ATOM 211 N PHE A 17 6.109 2.147 -10.082 1.00 0.18 N ATOM 212 CA PHE A 17 6.966 1.713 -11.171 1.00 0.24 C ATOM 213 C PHE A 17 7.738 0.457 -10.789 1.00 0.28 C ATOM 214 O PHE A 17 7.806 -0.500 -11.562 1.00 0.37 O ATOM 215 CB PHE A 17 7.929 2.847 -11.544 1.00 0.29 C ATOM 216 CG PHE A 17 8.990 2.462 -12.532 1.00 0.38 C ATOM 217 CD1 PHE A 17 10.294 2.253 -12.123 1.00 0.39 C ATOM 218 CD2 PHE A 17 8.674 2.302 -13.871 1.00 0.49 C ATOM 219 CE1 PHE A 17 11.267 1.892 -13.033 1.00 0.49 C ATOM 220 CE2 PHE A 17 9.642 1.941 -14.784 1.00 0.59 C ATOM 221 CZ PHE A 17 10.962 1.762 -14.353 1.00 0.58 C ATOM 0 H PHE A 17 6.305 3.090 -9.746 1.00 0.18 H new ATOM 0 HA PHE A 17 6.346 1.470 -12.034 1.00 0.24 H new ATOM 0 HB2 PHE A 17 7.352 3.676 -11.954 1.00 0.29 H new ATOM 0 HB3 PHE A 17 8.410 3.211 -10.636 1.00 0.29 H new ATOM 0 HD1 PHE A 17 10.554 2.373 -11.082 1.00 0.39 H new ATOM 0 HD2 PHE A 17 7.659 2.462 -14.203 1.00 0.49 H new ATOM 0 HE1 PHE A 17 12.277 1.712 -12.695 1.00 0.49 H new ATOM 0 HE2 PHE A 17 9.384 1.798 -15.823 1.00 0.59 H new ATOM 0 HZ PHE A 17 11.736 1.521 -15.066 1.00 0.58 H new ATOM 231 N ARG A 18 8.305 0.450 -9.590 1.00 0.24 N ATOM 232 CA ARG A 18 9.101 -0.682 -9.144 1.00 0.29 C ATOM 233 C ARG A 18 8.217 -1.838 -8.669 1.00 0.28 C ATOM 234 O ARG A 18 8.559 -3.004 -8.862 1.00 0.30 O ATOM 235 CB ARG A 18 10.085 -0.254 -8.051 1.00 0.37 C ATOM 236 CG ARG A 18 11.009 0.872 -8.496 1.00 0.41 C ATOM 237 CD ARG A 18 12.054 1.203 -7.444 1.00 0.57 C ATOM 238 NE ARG A 18 12.759 2.447 -7.751 1.00 1.49 N ATOM 239 CZ ARG A 18 13.993 2.742 -7.331 1.00 1.74 C ATOM 240 NH1 ARG A 18 14.730 1.826 -6.714 1.00 1.26 N ATOM 241 NH2 ARG A 18 14.506 3.947 -7.564 1.00 2.83 N ATOM 0 H ARG A 18 8.229 1.210 -8.914 1.00 0.24 H new ATOM 0 HA ARG A 18 9.675 -1.042 -9.997 1.00 0.29 H new ATOM 0 HB2 ARG A 18 9.527 0.067 -7.171 1.00 0.37 H new ATOM 0 HB3 ARG A 18 10.685 -1.113 -7.752 1.00 0.37 H new ATOM 0 HG2 ARG A 18 11.506 0.587 -9.423 1.00 0.41 H new ATOM 0 HG3 ARG A 18 10.418 1.762 -8.712 1.00 0.41 H new ATOM 0 HD2 ARG A 18 11.574 1.288 -6.469 1.00 0.57 H new ATOM 0 HD3 ARG A 18 12.772 0.386 -7.375 1.00 0.57 H new ATOM 0 HE ARG A 18 12.275 3.137 -8.325 1.00 1.49 H new ATOM 0 HH11 ARG A 18 14.355 0.890 -6.558 1.00 1.26 H new ATOM 0 HH12 ARG A 18 15.671 2.058 -6.396 1.00 1.26 H new ATOM 0 HH21 ARG A 18 13.957 4.647 -8.064 1.00 2.83 H new ATOM 0 HH22 ARG A 18 15.448 4.171 -7.243 1.00 2.83 H new ATOM 255 N LEU A 19 7.072 -1.511 -8.077 1.00 0.27 N ATOM 256 CA LEU A 19 6.163 -2.526 -7.541 1.00 0.25 C ATOM 257 C LEU A 19 5.318 -3.180 -8.625 1.00 0.28 C ATOM 258 O LEU A 19 4.635 -4.172 -8.361 1.00 0.38 O ATOM 259 CB LEU A 19 5.240 -1.922 -6.481 1.00 0.29 C ATOM 260 CG LEU A 19 5.776 -1.959 -5.049 1.00 0.35 C ATOM 261 CD1 LEU A 19 5.821 -3.385 -4.530 1.00 0.99 C ATOM 262 CD2 LEU A 19 7.155 -1.345 -4.984 1.00 0.63 C ATOM 0 H LEU A 19 6.749 -0.551 -7.955 1.00 0.27 H new ATOM 0 HA LEU A 19 6.791 -3.295 -7.091 1.00 0.25 H new ATOM 0 HB2 LEU A 19 5.037 -0.885 -6.748 1.00 0.29 H new ATOM 0 HB3 LEU A 19 4.287 -2.451 -6.509 1.00 0.29 H new ATOM 0 HG LEU A 19 5.101 -1.379 -4.420 1.00 0.35 H new ATOM 0 HD11 LEU A 19 6.205 -3.389 -3.510 1.00 0.99 H new ATOM 0 HD12 LEU A 19 4.817 -3.808 -4.541 1.00 0.99 H new ATOM 0 HD13 LEU A 19 6.474 -3.983 -5.166 1.00 0.99 H new ATOM 0 HD21 LEU A 19 7.521 -1.380 -3.958 1.00 0.63 H new ATOM 0 HD22 LEU A 19 7.833 -1.903 -5.630 1.00 0.63 H new ATOM 0 HD23 LEU A 19 7.108 -0.308 -5.317 1.00 0.63 H new ATOM 274 N GLN A 20 5.370 -2.625 -9.842 1.00 0.25 N ATOM 275 CA GLN A 20 4.474 -3.041 -10.923 1.00 0.28 C ATOM 276 C GLN A 20 3.039 -2.826 -10.457 1.00 0.28 C ATOM 277 O GLN A 20 2.123 -3.573 -10.805 1.00 0.35 O ATOM 278 CB GLN A 20 4.706 -4.512 -11.294 1.00 0.36 C ATOM 279 CG GLN A 20 6.146 -4.829 -11.651 1.00 0.88 C ATOM 280 CD GLN A 20 6.393 -6.317 -11.801 1.00 1.00 C ATOM 281 OE1 GLN A 20 5.717 -7.141 -11.181 1.00 1.36 O ATOM 282 NE2 GLN A 20 7.380 -6.671 -12.606 1.00 1.60 N ATOM 0 H GLN A 20 6.024 -1.886 -10.101 1.00 0.25 H new ATOM 0 HA GLN A 20 4.673 -2.448 -11.816 1.00 0.28 H new ATOM 0 HB2 GLN A 20 4.401 -5.141 -10.458 1.00 0.36 H new ATOM 0 HB3 GLN A 20 4.066 -4.770 -12.138 1.00 0.36 H new ATOM 0 HG2 GLN A 20 6.405 -4.325 -12.582 1.00 0.88 H new ATOM 0 HG3 GLN A 20 6.804 -4.431 -10.879 1.00 0.88 H new ATOM 0 HE21 GLN A 20 7.915 -5.958 -13.101 1.00 1.60 H new ATOM 0 HE22 GLN A 20 7.606 -7.658 -12.732 1.00 1.60 H new ATOM 291 N GLU A 21 2.877 -1.769 -9.676 1.00 0.29 N ATOM 292 CA GLU A 21 1.679 -1.542 -8.884 1.00 0.36 C ATOM 293 C GLU A 21 0.483 -1.155 -9.756 1.00 0.31 C ATOM 294 O GLU A 21 0.558 -0.239 -10.578 1.00 0.36 O ATOM 295 CB GLU A 21 1.983 -0.461 -7.847 1.00 0.53 C ATOM 296 CG GLU A 21 1.278 -0.657 -6.519 1.00 0.79 C ATOM 297 CD GLU A 21 -0.162 -0.218 -6.546 1.00 0.70 C ATOM 298 OE1 GLU A 21 -0.397 0.996 -6.562 1.00 1.07 O ATOM 299 OE2 GLU A 21 -1.059 -1.085 -6.544 1.00 1.31 O ATOM 0 H GLU A 21 3.581 -1.038 -9.574 1.00 0.29 H new ATOM 0 HA GLU A 21 1.401 -2.468 -8.381 1.00 0.36 H new ATOM 0 HB2 GLU A 21 3.059 -0.432 -7.674 1.00 0.53 H new ATOM 0 HB3 GLU A 21 1.700 0.509 -8.256 1.00 0.53 H new ATOM 0 HG2 GLU A 21 1.326 -1.710 -6.241 1.00 0.79 H new ATOM 0 HG3 GLU A 21 1.808 -0.099 -5.747 1.00 0.79 H new ATOM 306 N PRO A 22 -0.619 -1.902 -9.599 1.00 0.27 N ATOM 307 CA PRO A 22 -1.892 -1.680 -10.312 1.00 0.28 C ATOM 308 C PRO A 22 -2.645 -0.416 -9.882 1.00 0.30 C ATOM 309 O PRO A 22 -3.108 0.355 -10.725 1.00 0.41 O ATOM 310 CB PRO A 22 -2.716 -2.906 -9.908 1.00 0.30 C ATOM 311 CG PRO A 22 -2.179 -3.251 -8.567 1.00 0.31 C ATOM 312 CD PRO A 22 -0.705 -3.076 -8.711 1.00 0.31 C ATOM 0 HA PRO A 22 -1.719 -1.549 -11.380 1.00 0.28 H new ATOM 0 HB2 PRO A 22 -3.781 -2.680 -9.869 1.00 0.30 H new ATOM 0 HB3 PRO A 22 -2.590 -3.726 -10.615 1.00 0.30 H new ATOM 0 HG2 PRO A 22 -2.585 -2.598 -7.795 1.00 0.31 H new ATOM 0 HG3 PRO A 22 -2.434 -4.273 -8.286 1.00 0.31 H new ATOM 0 HD2 PRO A 22 -0.220 -2.898 -7.751 1.00 0.31 H new ATOM 0 HD3 PRO A 22 -0.231 -3.954 -9.149 1.00 0.31 H new ATOM 320 N LYS A 23 -2.768 -0.204 -8.576 1.00 0.30 N ATOM 321 CA LYS A 23 -3.656 0.825 -8.048 1.00 0.35 C ATOM 322 C LYS A 23 -2.852 1.968 -7.456 1.00 0.34 C ATOM 323 O LYS A 23 -2.910 2.239 -6.255 1.00 0.45 O ATOM 324 CB LYS A 23 -4.603 0.232 -7.005 1.00 0.42 C ATOM 325 CG LYS A 23 -3.933 -0.732 -6.043 1.00 0.44 C ATOM 326 CD LYS A 23 -4.857 -1.097 -4.911 1.00 0.77 C ATOM 327 CE LYS A 23 -4.107 -1.810 -3.811 1.00 0.73 C ATOM 328 NZ LYS A 23 -5.022 -2.245 -2.721 1.00 1.41 N ATOM 0 H LYS A 23 -2.264 -0.731 -7.863 1.00 0.30 H new ATOM 0 HA LYS A 23 -4.256 1.218 -8.869 1.00 0.35 H new ATOM 0 HB2 LYS A 23 -5.054 1.044 -6.435 1.00 0.42 H new ATOM 0 HB3 LYS A 23 -5.414 -0.286 -7.517 1.00 0.42 H new ATOM 0 HG2 LYS A 23 -3.633 -1.634 -6.577 1.00 0.44 H new ATOM 0 HG3 LYS A 23 -3.025 -0.280 -5.644 1.00 0.44 H new ATOM 0 HD2 LYS A 23 -5.324 -0.196 -4.513 1.00 0.77 H new ATOM 0 HD3 LYS A 23 -5.659 -1.735 -5.282 1.00 0.77 H new ATOM 0 HE2 LYS A 23 -3.592 -2.678 -4.223 1.00 0.73 H new ATOM 0 HE3 LYS A 23 -3.342 -1.149 -3.403 1.00 0.73 H new ATOM 0 HZ1 LYS A 23 -4.522 -2.203 -1.810 1.00 1.41 H new ATOM 0 HZ2 LYS A 23 -5.849 -1.616 -2.691 1.00 1.41 H new ATOM 0 HZ3 LYS A 23 -5.335 -3.220 -2.899 1.00 1.41 H new ATOM 342 N LYS A 24 -2.147 2.662 -8.341 1.00 0.29 N ATOM 343 CA LYS A 24 -1.110 3.622 -7.967 1.00 0.29 C ATOM 344 C LYS A 24 -1.625 4.760 -7.089 1.00 0.31 C ATOM 345 O LYS A 24 -0.838 5.518 -6.520 1.00 0.35 O ATOM 346 CB LYS A 24 -0.466 4.173 -9.230 1.00 0.31 C ATOM 347 CG LYS A 24 -0.047 3.079 -10.198 1.00 0.30 C ATOM 348 CD LYS A 24 0.742 3.651 -11.361 1.00 0.42 C ATOM 349 CE LYS A 24 1.194 2.565 -12.324 1.00 1.15 C ATOM 350 NZ LYS A 24 2.042 3.110 -13.417 1.00 1.75 N ATOM 0 H LYS A 24 -2.279 2.575 -9.349 1.00 0.29 H new ATOM 0 HA LYS A 24 -0.374 3.090 -7.364 1.00 0.29 H new ATOM 0 HB2 LYS A 24 -1.166 4.844 -9.727 1.00 0.31 H new ATOM 0 HB3 LYS A 24 0.407 4.767 -8.959 1.00 0.31 H new ATOM 0 HG2 LYS A 24 0.557 2.338 -9.675 1.00 0.30 H new ATOM 0 HG3 LYS A 24 -0.931 2.563 -10.573 1.00 0.30 H new ATOM 0 HD2 LYS A 24 0.129 4.378 -11.894 1.00 0.42 H new ATOM 0 HD3 LYS A 24 1.613 4.186 -10.982 1.00 0.42 H new ATOM 0 HE2 LYS A 24 1.751 1.804 -11.777 1.00 1.15 H new ATOM 0 HE3 LYS A 24 0.321 2.074 -12.753 1.00 1.15 H new ATOM 0 HZ1 LYS A 24 2.329 2.338 -14.052 1.00 1.75 H new ATOM 0 HZ2 LYS A 24 1.502 3.818 -13.955 1.00 1.75 H new ATOM 0 HZ3 LYS A 24 2.889 3.556 -13.010 1.00 1.75 H new ATOM 364 N ASP A 25 -2.938 4.889 -6.988 1.00 0.31 N ATOM 365 CA ASP A 25 -3.541 5.866 -6.094 1.00 0.38 C ATOM 366 C ASP A 25 -3.176 5.535 -4.651 1.00 0.31 C ATOM 367 O ASP A 25 -2.746 6.398 -3.884 1.00 0.34 O ATOM 368 CB ASP A 25 -5.061 5.862 -6.253 1.00 0.54 C ATOM 369 CG ASP A 25 -5.722 7.009 -5.520 1.00 1.32 C ATOM 370 OD1 ASP A 25 -6.105 6.816 -4.345 1.00 2.14 O ATOM 371 OD2 ASP A 25 -5.849 8.104 -6.101 1.00 1.87 O ATOM 0 H ASP A 25 -3.608 4.329 -7.515 1.00 0.31 H new ATOM 0 HA ASP A 25 -3.162 6.856 -6.347 1.00 0.38 H new ATOM 0 HB2 ASP A 25 -5.313 5.918 -7.312 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -5.460 4.919 -5.880 1.00 0.54 H new ATOM 376 N LEU A 26 -3.319 4.261 -4.308 1.00 0.28 N ATOM 377 CA LEU A 26 -3.075 3.788 -2.956 1.00 0.31 C ATOM 378 C LEU A 26 -1.578 3.759 -2.653 1.00 0.25 C ATOM 379 O LEU A 26 -1.150 4.148 -1.564 1.00 0.24 O ATOM 380 CB LEU A 26 -3.698 2.397 -2.773 1.00 0.40 C ATOM 381 CG LEU A 26 -3.870 1.920 -1.327 1.00 0.58 C ATOM 382 CD1 LEU A 26 -4.901 0.809 -1.270 1.00 1.33 C ATOM 383 CD2 LEU A 26 -2.552 1.430 -0.748 1.00 1.18 C ATOM 0 H LEU A 26 -3.607 3.530 -4.959 1.00 0.28 H new ATOM 0 HA LEU A 26 -3.542 4.477 -2.252 1.00 0.31 H new ATOM 0 HB2 LEU A 26 -4.676 2.393 -3.254 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -3.080 1.672 -3.302 1.00 0.40 H new ATOM 0 HG LEU A 26 -4.210 2.766 -0.729 1.00 0.58 H new ATOM 0 HD11 LEU A 26 -5.019 0.474 -0.239 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -5.856 1.179 -1.642 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -4.570 -0.026 -1.887 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -2.707 1.098 0.279 1.00 1.18 H new ATOM 0 HD22 LEU A 26 -2.179 0.598 -1.346 1.00 1.18 H new ATOM 0 HD23 LEU A 26 -1.825 2.242 -0.761 1.00 1.18 H new ATOM 395 N ILE A 27 -0.781 3.310 -3.618 1.00 0.23 N ATOM 396 CA ILE A 27 0.658 3.182 -3.413 1.00 0.23 C ATOM 397 C ILE A 27 1.296 4.564 -3.219 1.00 0.22 C ATOM 398 O ILE A 27 2.290 4.710 -2.504 1.00 0.24 O ATOM 399 CB ILE A 27 1.326 2.417 -4.586 1.00 0.24 C ATOM 400 CG1 ILE A 27 2.606 1.709 -4.137 1.00 0.28 C ATOM 401 CG2 ILE A 27 1.614 3.338 -5.753 1.00 0.34 C ATOM 402 CD1 ILE A 27 2.352 0.617 -3.128 1.00 0.44 C ATOM 0 H ILE A 27 -1.104 3.030 -4.544 1.00 0.23 H new ATOM 0 HA ILE A 27 0.823 2.599 -2.507 1.00 0.23 H new ATOM 0 HB ILE A 27 0.617 1.658 -4.917 1.00 0.24 H new ATOM 0 HG12 ILE A 27 3.104 1.283 -5.008 1.00 0.28 H new ATOM 0 HG13 ILE A 27 3.288 2.442 -3.707 1.00 0.28 H new ATOM 0 HG21 ILE A 27 2.082 2.771 -6.558 1.00 0.34 H new ATOM 0 HG22 ILE A 27 0.681 3.774 -6.111 1.00 0.34 H new ATOM 0 HG23 ILE A 27 2.286 4.133 -5.431 1.00 0.34 H new ATOM 0 HD11 ILE A 27 3.298 0.153 -2.849 1.00 0.44 H new ATOM 0 HD12 ILE A 27 1.881 1.043 -2.242 1.00 0.44 H new ATOM 0 HD13 ILE A 27 1.693 -0.135 -3.563 1.00 0.44 H new ATOM 409 N ALA A 28 0.698 5.581 -3.843 1.00 0.21 N ATOM 410 CA ALA A 28 1.115 6.965 -3.642 1.00 0.21 C ATOM 411 C ALA A 28 0.655 7.462 -2.286 1.00 0.21 C ATOM 412 O ALA A 28 1.306 8.283 -1.648 1.00 0.20 O ATOM 413 CB ALA A 28 0.549 7.867 -4.723 1.00 0.21 C ATOM 0 H ALA A 28 -0.079 5.468 -4.494 1.00 0.21 H new ATOM 0 HA ALA A 28 2.203 6.994 -3.692 1.00 0.21 H new ATOM 0 HB1 ALA A 28 0.875 8.892 -4.549 1.00 0.21 H new ATOM 0 HB2 ALA A 28 0.904 7.534 -5.698 1.00 0.21 H new ATOM 0 HB3 ALA A 28 -0.540 7.824 -4.700 1.00 0.21 H new ATOM 419 N ARG A 29 -0.495 6.977 -1.870 1.00 0.21 N ATOM 420 CA ARG A 29 -1.075 7.369 -0.606 1.00 0.21 C ATOM 421 C ARG A 29 -0.195 6.962 0.570 1.00 0.19 C ATOM 422 O ARG A 29 -0.088 7.703 1.544 1.00 0.17 O ATOM 423 CB ARG A 29 -2.455 6.775 -0.447 1.00 0.22 C ATOM 424 CG ARG A 29 -3.047 7.069 0.904 1.00 0.27 C ATOM 425 CD ARG A 29 -4.334 6.295 1.102 1.00 0.29 C ATOM 426 NE ARG A 29 -5.346 6.715 0.128 1.00 0.64 N ATOM 427 CZ ARG A 29 -6.165 5.882 -0.511 1.00 1.11 C ATOM 428 NH1 ARG A 29 -6.211 4.598 -0.183 1.00 1.48 N ATOM 429 NH2 ARG A 29 -6.957 6.338 -1.471 1.00 1.47 N ATOM 0 H ARG A 29 -1.051 6.303 -2.396 1.00 0.21 H new ATOM 0 HA ARG A 29 -1.151 8.456 -0.608 1.00 0.21 H new ATOM 0 HB2 ARG A 29 -3.111 7.170 -1.223 1.00 0.22 H new ATOM 0 HB3 ARG A 29 -2.403 5.696 -0.592 1.00 0.22 H new ATOM 0 HG2 ARG A 29 -2.334 6.805 1.685 1.00 0.27 H new ATOM 0 HG3 ARG A 29 -3.241 8.138 0.997 1.00 0.27 H new ATOM 0 HD2 ARG A 29 -4.142 5.227 0.997 1.00 0.29 H new ATOM 0 HD3 ARG A 29 -4.708 6.454 2.114 1.00 0.29 H new ATOM 0 HE ARG A 29 -5.428 7.712 -0.074 1.00 0.64 H new ATOM 0 HH11 ARG A 29 -5.616 4.241 0.564 1.00 1.48 H new ATOM 0 HH12 ARG A 29 -6.842 3.967 -0.678 1.00 1.48 H new ATOM 0 HH21 ARG A 29 -6.939 7.327 -1.720 1.00 1.47 H new ATOM 0 HH22 ARG A 29 -7.584 5.700 -1.961 1.00 1.47 H new ATOM 443 N VAL A 30 0.409 5.777 0.498 1.00 0.21 N ATOM 444 CA VAL A 30 1.314 5.325 1.557 1.00 0.23 C ATOM 445 C VAL A 30 2.366 6.394 1.803 1.00 0.19 C ATOM 446 O VAL A 30 2.677 6.741 2.945 1.00 0.17 O ATOM 447 CB VAL A 30 2.031 4.011 1.190 1.00 0.34 C ATOM 448 CG1 VAL A 30 2.820 3.482 2.377 1.00 1.03 C ATOM 449 CG2 VAL A 30 1.042 2.969 0.700 1.00 1.10 C ATOM 0 H VAL A 30 0.291 5.118 -0.272 1.00 0.21 H new ATOM 0 HA VAL A 30 0.712 5.147 2.448 1.00 0.23 H new ATOM 0 HB VAL A 30 2.728 4.223 0.379 1.00 0.34 H new ATOM 0 HG11 VAL A 30 3.319 2.554 2.098 1.00 1.03 H new ATOM 0 HG12 VAL A 30 3.565 4.219 2.676 1.00 1.03 H new ATOM 0 HG13 VAL A 30 2.142 3.293 3.209 1.00 1.03 H new ATOM 0 HG21 VAL A 30 1.575 2.052 0.448 1.00 1.10 H new ATOM 0 HG22 VAL A 30 0.314 2.762 1.484 1.00 1.10 H new ATOM 0 HG23 VAL A 30 0.527 3.344 -0.184 1.00 1.10 H new ATOM 453 N VAL A 31 2.866 6.929 0.701 1.00 0.19 N ATOM 454 CA VAL A 31 3.784 8.057 0.703 1.00 0.19 C ATOM 455 C VAL A 31 3.212 9.221 1.505 1.00 0.17 C ATOM 456 O VAL A 31 3.874 9.783 2.374 1.00 0.20 O ATOM 457 CB VAL A 31 3.999 8.535 -0.738 1.00 0.20 C ATOM 458 CG1 VAL A 31 4.870 9.785 -0.782 1.00 0.20 C ATOM 459 CG2 VAL A 31 4.603 7.429 -1.591 1.00 0.22 C ATOM 0 H VAL A 31 2.642 6.587 -0.234 1.00 0.19 H new ATOM 0 HA VAL A 31 4.722 7.733 1.153 1.00 0.19 H new ATOM 0 HB VAL A 31 3.023 8.792 -1.151 1.00 0.20 H new ATOM 0 HG11 VAL A 31 5.004 10.099 -1.817 1.00 0.20 H new ATOM 0 HG12 VAL A 31 4.388 10.585 -0.220 1.00 0.20 H new ATOM 0 HG13 VAL A 31 5.842 9.567 -0.340 1.00 0.20 H new ATOM 0 HG21 VAL A 31 4.746 7.792 -2.609 1.00 0.22 H new ATOM 0 HG22 VAL A 31 5.565 7.131 -1.173 1.00 0.22 H new ATOM 0 HG23 VAL A 31 3.931 6.571 -1.603 1.00 0.22 H new ATOM 463 N ARG A 32 1.971 9.564 1.195 1.00 0.16 N ATOM 464 CA ARG A 32 1.293 10.689 1.819 1.00 0.19 C ATOM 465 C ARG A 32 1.196 10.512 3.334 1.00 0.18 C ATOM 466 O ARG A 32 1.420 11.453 4.098 1.00 0.23 O ATOM 467 CB ARG A 32 -0.116 10.844 1.242 1.00 0.26 C ATOM 468 CG ARG A 32 -0.142 11.149 -0.239 1.00 1.08 C ATOM 469 CD ARG A 32 0.336 12.557 -0.492 1.00 1.37 C ATOM 470 NE ARG A 32 0.259 12.920 -1.904 1.00 2.21 N ATOM 471 CZ ARG A 32 0.611 14.109 -2.381 1.00 2.78 C ATOM 472 NH1 ARG A 32 0.979 15.079 -1.551 1.00 2.81 N ATOM 473 NH2 ARG A 32 0.566 14.332 -3.685 1.00 3.75 N ATOM 0 H ARG A 32 1.406 9.070 0.504 1.00 0.16 H new ATOM 0 HA ARG A 32 1.880 11.583 1.609 1.00 0.19 H new ATOM 0 HB2 ARG A 32 -0.675 9.926 1.424 1.00 0.26 H new ATOM 0 HB3 ARG A 32 -0.631 11.642 1.776 1.00 0.26 H new ATOM 0 HG2 ARG A 32 0.491 10.441 -0.774 1.00 1.08 H new ATOM 0 HG3 ARG A 32 -1.154 11.026 -0.625 1.00 1.08 H new ATOM 0 HD2 ARG A 32 -0.264 13.253 0.094 1.00 1.37 H new ATOM 0 HD3 ARG A 32 1.366 12.657 -0.149 1.00 1.37 H new ATOM 0 HE ARG A 32 -0.085 12.221 -2.562 1.00 2.21 H new ATOM 0 HH11 ARG A 32 0.992 14.912 -0.545 1.00 2.81 H new ATOM 0 HH12 ARG A 32 1.249 15.991 -1.920 1.00 2.81 H new ATOM 0 HH21 ARG A 32 0.262 13.593 -4.319 1.00 3.75 H new ATOM 0 HH22 ARG A 32 0.835 15.243 -4.056 1.00 3.75 H new ATOM 487 N ILE A 33 0.844 9.303 3.751 1.00 0.16 N ATOM 488 CA ILE A 33 0.572 9.017 5.153 1.00 0.17 C ATOM 489 C ILE A 33 1.852 8.920 5.991 1.00 0.18 C ATOM 490 O ILE A 33 1.951 9.550 7.047 1.00 0.22 O ATOM 491 CB ILE A 33 -0.257 7.719 5.310 1.00 0.21 C ATOM 492 CG1 ILE A 33 -1.505 7.770 4.418 1.00 0.30 C ATOM 493 CG2 ILE A 33 -0.663 7.505 6.766 1.00 0.21 C ATOM 494 CD1 ILE A 33 -2.435 8.924 4.728 1.00 0.80 C ATOM 0 H ILE A 33 0.740 8.499 3.132 1.00 0.16 H new ATOM 0 HA ILE A 33 -0.009 9.859 5.529 1.00 0.17 H new ATOM 0 HB ILE A 33 0.366 6.880 4.999 1.00 0.21 H new ATOM 0 HG12 ILE A 33 -1.192 7.838 3.376 1.00 0.30 H new ATOM 0 HG13 ILE A 33 -2.054 6.835 4.525 1.00 0.30 H new ATOM 0 HG21 ILE A 33 -1.244 6.587 6.850 1.00 0.21 H new ATOM 0 HG22 ILE A 33 0.231 7.427 7.385 1.00 0.21 H new ATOM 0 HG23 ILE A 33 -1.266 8.348 7.103 1.00 0.21 H new ATOM 0 HD11 ILE A 33 -3.292 8.891 4.056 1.00 0.80 H new ATOM 0 HD12 ILE A 33 -2.779 8.847 5.759 1.00 0.80 H new ATOM 0 HD13 ILE A 33 -1.904 9.866 4.592 1.00 0.80 H new ATOM 501 N ILE A 34 2.831 8.140 5.535 1.00 0.20 N ATOM 502 CA ILE A 34 4.014 7.880 6.356 1.00 0.25 C ATOM 503 C ILE A 34 5.167 8.831 6.042 1.00 0.23 C ATOM 504 O ILE A 34 5.978 9.127 6.920 1.00 0.30 O ATOM 505 CB ILE A 34 4.517 6.421 6.229 1.00 0.30 C ATOM 506 CG1 ILE A 34 4.995 6.114 4.805 1.00 0.26 C ATOM 507 CG2 ILE A 34 3.423 5.450 6.642 1.00 0.40 C ATOM 508 CD1 ILE A 34 5.572 4.722 4.647 1.00 0.34 C ATOM 0 H ILE A 34 2.832 7.685 4.622 1.00 0.20 H new ATOM 0 HA ILE A 34 3.686 8.051 7.381 1.00 0.25 H new ATOM 0 HB ILE A 34 5.369 6.301 6.898 1.00 0.30 H new ATOM 0 HG12 ILE A 34 4.158 6.232 4.116 1.00 0.26 H new ATOM 0 HG13 ILE A 34 5.750 6.846 4.518 1.00 0.26 H new ATOM 0 HG21 ILE A 34 3.789 4.428 6.548 1.00 0.40 H new ATOM 0 HG22 ILE A 34 3.139 5.640 7.677 1.00 0.40 H new ATOM 0 HG23 ILE A 34 2.555 5.585 5.997 1.00 0.40 H new ATOM 0 HD11 ILE A 34 5.889 4.575 3.615 1.00 0.34 H new ATOM 0 HD12 ILE A 34 6.429 4.606 5.310 1.00 0.34 H new ATOM 0 HD13 ILE A 34 4.813 3.982 4.902 1.00 0.34 H new ATOM 515 N GLY A 35 5.242 9.309 4.808 1.00 0.23 N ATOM 516 CA GLY A 35 6.325 10.198 4.425 1.00 0.24 C ATOM 517 C GLY A 35 7.027 9.752 3.153 1.00 0.22 C ATOM 518 O GLY A 35 6.914 8.595 2.743 1.00 0.26 O ATOM 0 H GLY A 35 4.575 9.099 4.065 1.00 0.23 H new ATOM 0 HA2 GLY A 35 5.931 11.204 4.284 1.00 0.24 H new ATOM 0 HA3 GLY A 35 7.051 10.251 5.237 1.00 0.24 H new ATOM 522 N ASN A 36 7.762 10.672 2.538 1.00 0.30 N ATOM 523 CA ASN A 36 8.459 10.409 1.280 1.00 0.34 C ATOM 524 C ASN A 36 9.596 9.402 1.464 1.00 0.27 C ATOM 525 O ASN A 36 9.629 8.363 0.804 1.00 0.27 O ATOM 526 CB ASN A 36 8.993 11.720 0.673 1.00 0.46 C ATOM 527 CG ASN A 36 9.935 12.490 1.596 1.00 0.55 C ATOM 528 OD1 ASN A 36 9.819 12.436 2.822 1.00 0.91 O ATOM 529 ND2 ASN A 36 10.872 13.215 1.009 1.00 0.71 N ATOM 0 H ASN A 36 7.893 11.619 2.894 1.00 0.30 H new ATOM 0 HA ASN A 36 7.738 9.971 0.590 1.00 0.34 H new ATOM 0 HB2 ASN A 36 9.516 11.492 -0.256 1.00 0.46 H new ATOM 0 HB3 ASN A 36 8.149 12.360 0.415 1.00 0.46 H new ATOM 0 HD21 ASN A 36 11.529 13.753 1.574 1.00 0.71 H new ATOM 0 HD22 ASN A 36 10.938 13.236 -0.009 1.00 0.71 H new ATOM 536 N LYS A 37 10.513 9.704 2.371 1.00 0.31 N ATOM 537 CA LYS A 37 11.651 8.834 2.626 1.00 0.33 C ATOM 538 C LYS A 37 11.189 7.576 3.346 1.00 0.27 C ATOM 539 O LYS A 37 11.727 6.495 3.130 1.00 0.31 O ATOM 540 CB LYS A 37 12.717 9.572 3.443 1.00 0.46 C ATOM 541 CG LYS A 37 13.972 8.763 3.699 1.00 1.24 C ATOM 542 CD LYS A 37 14.597 8.300 2.398 1.00 1.85 C ATOM 543 CE LYS A 37 15.979 7.736 2.632 1.00 2.58 C ATOM 544 NZ LYS A 37 16.997 8.809 2.788 1.00 3.19 N ATOM 0 H LYS A 37 10.491 10.547 2.944 1.00 0.31 H new ATOM 0 HA LYS A 37 12.098 8.545 1.675 1.00 0.33 H new ATOM 0 HB2 LYS A 37 12.989 10.489 2.920 1.00 0.46 H new ATOM 0 HB3 LYS A 37 12.286 9.867 4.400 1.00 0.46 H new ATOM 0 HG2 LYS A 37 14.689 9.365 4.257 1.00 1.24 H new ATOM 0 HG3 LYS A 37 13.732 7.899 4.318 1.00 1.24 H new ATOM 0 HD2 LYS A 37 13.964 7.542 1.936 1.00 1.85 H new ATOM 0 HD3 LYS A 37 14.655 9.136 1.700 1.00 1.85 H new ATOM 0 HE2 LYS A 37 15.970 7.112 3.525 1.00 2.58 H new ATOM 0 HE3 LYS A 37 16.255 7.093 1.796 1.00 2.58 H new ATOM 0 HZ1 LYS A 37 17.936 8.381 2.913 1.00 3.19 H new ATOM 0 HZ2 LYS A 37 17.001 9.410 1.939 1.00 3.19 H new ATOM 0 HZ3 LYS A 37 16.767 9.387 3.621 1.00 3.19 H new ATOM 558 N LYS A 38 10.178 7.731 4.190 1.00 0.27 N ATOM 559 CA LYS A 38 9.573 6.605 4.892 1.00 0.27 C ATOM 560 C LYS A 38 9.074 5.553 3.906 1.00 0.24 C ATOM 561 O LYS A 38 9.198 4.353 4.149 1.00 0.32 O ATOM 562 CB LYS A 38 8.423 7.107 5.759 1.00 0.36 C ATOM 563 CG LYS A 38 8.879 8.039 6.868 1.00 1.07 C ATOM 564 CD LYS A 38 9.297 7.269 8.109 1.00 1.33 C ATOM 565 CE LYS A 38 8.085 6.796 8.899 1.00 1.33 C ATOM 566 NZ LYS A 38 7.241 7.943 9.331 1.00 2.45 N ATOM 0 H LYS A 38 9.756 8.634 4.407 1.00 0.27 H new ATOM 0 HA LYS A 38 10.328 6.139 5.525 1.00 0.27 H new ATOM 0 HB2 LYS A 38 7.701 7.626 5.129 1.00 0.36 H new ATOM 0 HB3 LYS A 38 7.907 6.253 6.199 1.00 0.36 H new ATOM 0 HG2 LYS A 38 9.715 8.643 6.515 1.00 1.07 H new ATOM 0 HG3 LYS A 38 8.072 8.727 7.121 1.00 1.07 H new ATOM 0 HD2 LYS A 38 9.903 6.411 7.820 1.00 1.33 H new ATOM 0 HD3 LYS A 38 9.921 7.902 8.740 1.00 1.33 H new ATOM 0 HE2 LYS A 38 7.492 6.115 8.288 1.00 1.33 H new ATOM 0 HE3 LYS A 38 8.414 6.234 9.773 1.00 1.33 H new ATOM 0 HZ1 LYS A 38 6.625 7.645 10.114 1.00 2.45 H new ATOM 0 HZ2 LYS A 38 7.851 8.723 9.648 1.00 2.45 H new ATOM 0 HZ3 LYS A 38 6.656 8.264 8.533 1.00 2.45 H new ATOM 580 N ALA A 39 8.524 6.015 2.788 1.00 0.20 N ATOM 581 CA ALA A 39 8.055 5.122 1.738 1.00 0.22 C ATOM 582 C ALA A 39 9.231 4.473 1.010 1.00 0.24 C ATOM 583 O ALA A 39 9.186 3.293 0.670 1.00 0.29 O ATOM 584 CB ALA A 39 7.175 5.880 0.756 1.00 0.26 C ATOM 0 H ALA A 39 8.392 7.006 2.587 1.00 0.20 H new ATOM 0 HA ALA A 39 7.464 4.331 2.200 1.00 0.22 H new ATOM 0 HB1 ALA A 39 6.831 5.201 -0.024 1.00 0.26 H new ATOM 0 HB2 ALA A 39 6.315 6.293 1.282 1.00 0.26 H new ATOM 0 HB3 ALA A 39 7.748 6.690 0.305 1.00 0.26 H new ATOM 590 N ILE A 40 10.291 5.247 0.788 1.00 0.24 N ATOM 591 CA ILE A 40 11.471 4.745 0.092 1.00 0.32 C ATOM 592 C ILE A 40 12.252 3.760 0.962 1.00 0.30 C ATOM 593 O ILE A 40 12.839 2.803 0.456 1.00 0.35 O ATOM 594 CB ILE A 40 12.382 5.896 -0.392 1.00 0.42 C ATOM 595 CG1 ILE A 40 11.661 6.682 -1.491 1.00 0.55 C ATOM 596 CG2 ILE A 40 13.722 5.364 -0.897 1.00 0.52 C ATOM 597 CD1 ILE A 40 12.516 7.726 -2.169 1.00 1.13 C ATOM 0 H ILE A 40 10.356 6.222 1.080 1.00 0.24 H new ATOM 0 HA ILE A 40 11.120 4.210 -0.790 1.00 0.32 H new ATOM 0 HB ILE A 40 12.591 6.558 0.448 1.00 0.42 H new ATOM 0 HG12 ILE A 40 11.297 5.982 -2.243 1.00 0.55 H new ATOM 0 HG13 ILE A 40 10.787 7.169 -1.059 1.00 0.55 H new ATOM 0 HG21 ILE A 40 14.341 6.196 -1.231 1.00 0.52 H new ATOM 0 HG22 ILE A 40 14.230 4.834 -0.091 1.00 0.52 H new ATOM 0 HG23 ILE A 40 13.552 4.682 -1.730 1.00 0.52 H new ATOM 0 HD11 ILE A 40 11.930 8.236 -2.933 1.00 1.13 H new ATOM 0 HD12 ILE A 40 12.859 8.451 -1.431 1.00 1.13 H new ATOM 0 HD13 ILE A 40 13.377 7.246 -2.633 1.00 1.13 H new ATOM 604 N GLU A 41 12.244 3.985 2.268 1.00 0.28 N ATOM 605 CA GLU A 41 12.841 3.039 3.199 1.00 0.32 C ATOM 606 C GLU A 41 12.130 1.692 3.109 1.00 0.31 C ATOM 607 O GLU A 41 12.751 0.636 3.246 1.00 0.37 O ATOM 608 CB GLU A 41 12.790 3.585 4.625 1.00 0.38 C ATOM 609 CG GLU A 41 13.814 4.677 4.886 1.00 0.79 C ATOM 610 CD GLU A 41 15.233 4.150 4.838 1.00 1.42 C ATOM 611 OE1 GLU A 41 15.881 4.291 3.780 1.00 2.10 O ATOM 612 OE2 GLU A 41 15.711 3.598 5.851 1.00 1.57 O ATOM 0 H GLU A 41 11.833 4.810 2.705 1.00 0.28 H new ATOM 0 HA GLU A 41 13.887 2.896 2.929 1.00 0.32 H new ATOM 0 HB2 GLU A 41 11.792 3.977 4.821 1.00 0.38 H new ATOM 0 HB3 GLU A 41 12.954 2.767 5.326 1.00 0.38 H new ATOM 0 HG2 GLU A 41 13.696 5.468 4.146 1.00 0.79 H new ATOM 0 HG3 GLU A 41 13.626 5.124 5.862 1.00 0.79 H new ATOM 619 N LEU A 42 10.825 1.739 2.846 1.00 0.26 N ATOM 620 CA LEU A 42 10.051 0.527 2.626 1.00 0.25 C ATOM 621 C LEU A 42 10.559 -0.214 1.393 1.00 0.24 C ATOM 622 O LEU A 42 10.603 -1.441 1.383 1.00 0.26 O ATOM 623 CB LEU A 42 8.560 0.843 2.468 1.00 0.25 C ATOM 624 CG LEU A 42 7.845 1.357 3.721 1.00 0.28 C ATOM 625 CD1 LEU A 42 6.387 1.641 3.406 1.00 0.29 C ATOM 626 CD2 LEU A 42 7.944 0.353 4.861 1.00 0.28 C ATOM 0 H LEU A 42 10.286 2.603 2.781 1.00 0.26 H new ATOM 0 HA LEU A 42 10.175 -0.111 3.501 1.00 0.25 H new ATOM 0 HB2 LEU A 42 8.448 1.587 1.679 1.00 0.25 H new ATOM 0 HB3 LEU A 42 8.052 -0.060 2.129 1.00 0.25 H new ATOM 0 HG LEU A 42 8.334 2.279 4.037 1.00 0.28 H new ATOM 0 HD11 LEU A 42 5.886 2.006 4.302 1.00 0.29 H new ATOM 0 HD12 LEU A 42 6.324 2.396 2.622 1.00 0.29 H new ATOM 0 HD13 LEU A 42 5.903 0.725 3.067 1.00 0.29 H new ATOM 0 HD21 LEU A 42 7.427 0.745 5.737 1.00 0.28 H new ATOM 0 HD22 LEU A 42 7.483 -0.587 4.559 1.00 0.28 H new ATOM 0 HD23 LEU A 42 8.992 0.181 5.105 1.00 0.28 H new ATOM 638 N LEU A 43 10.967 0.531 0.360 1.00 0.28 N ATOM 639 CA LEU A 43 11.508 -0.084 -0.855 1.00 0.33 C ATOM 640 C LEU A 43 12.713 -0.963 -0.534 1.00 0.31 C ATOM 641 O LEU A 43 12.941 -1.970 -1.190 1.00 0.38 O ATOM 642 CB LEU A 43 11.909 0.953 -1.914 1.00 0.46 C ATOM 643 CG LEU A 43 10.785 1.516 -2.791 1.00 0.52 C ATOM 644 CD1 LEU A 43 9.676 0.495 -2.987 1.00 1.36 C ATOM 645 CD2 LEU A 43 10.245 2.808 -2.213 1.00 1.24 C ATOM 0 H LEU A 43 10.933 1.550 0.341 1.00 0.28 H new ATOM 0 HA LEU A 43 10.705 -0.695 -1.267 1.00 0.33 H new ATOM 0 HB2 LEU A 43 12.394 1.787 -1.406 1.00 0.46 H new ATOM 0 HB3 LEU A 43 12.655 0.500 -2.567 1.00 0.46 H new ATOM 0 HG LEU A 43 11.205 1.737 -3.772 1.00 0.52 H new ATOM 0 HD11 LEU A 43 8.893 0.924 -3.613 1.00 1.36 H new ATOM 0 HD12 LEU A 43 10.081 -0.394 -3.470 1.00 1.36 H new ATOM 0 HD13 LEU A 43 9.257 0.222 -2.018 1.00 1.36 H new ATOM 0 HD21 LEU A 43 9.449 3.188 -2.853 1.00 1.24 H new ATOM 0 HD22 LEU A 43 9.851 2.623 -1.214 1.00 1.24 H new ATOM 0 HD23 LEU A 43 11.047 3.544 -2.156 1.00 1.24 H new ATOM 657 N MET A 44 13.483 -0.581 0.474 1.00 0.28 N ATOM 658 CA MET A 44 14.612 -1.396 0.904 1.00 0.32 C ATOM 659 C MET A 44 14.125 -2.657 1.602 1.00 0.34 C ATOM 660 O MET A 44 14.680 -3.738 1.416 1.00 0.44 O ATOM 661 CB MET A 44 15.540 -0.611 1.830 1.00 0.33 C ATOM 662 CG MET A 44 16.466 0.337 1.094 1.00 0.93 C ATOM 663 SD MET A 44 17.497 -0.514 -0.116 1.00 1.99 S ATOM 664 CE MET A 44 18.386 -1.656 0.943 1.00 2.20 C ATOM 0 H MET A 44 13.350 0.279 1.006 1.00 0.28 H new ATOM 0 HA MET A 44 15.175 -1.678 0.015 1.00 0.32 H new ATOM 0 HB2 MET A 44 14.938 -0.042 2.538 1.00 0.33 H new ATOM 0 HB3 MET A 44 16.138 -1.312 2.412 1.00 0.33 H new ATOM 0 HG2 MET A 44 15.874 1.101 0.590 1.00 0.93 H new ATOM 0 HG3 MET A 44 17.103 0.851 1.814 1.00 0.93 H new ATOM 0 HE1 MET A 44 19.261 -2.035 0.416 1.00 2.20 H new ATOM 0 HE2 MET A 44 18.704 -1.140 1.849 1.00 2.20 H new ATOM 0 HE3 MET A 44 17.734 -2.488 1.209 1.00 2.20 H new ATOM 674 N GLU A 45 13.079 -2.514 2.402 1.00 0.32 N ATOM 675 CA GLU A 45 12.511 -3.644 3.115 1.00 0.42 C ATOM 676 C GLU A 45 11.784 -4.607 2.172 1.00 0.42 C ATOM 677 O GLU A 45 11.635 -5.784 2.494 1.00 0.53 O ATOM 678 CB GLU A 45 11.605 -3.179 4.258 1.00 0.48 C ATOM 679 CG GLU A 45 12.371 -2.427 5.338 1.00 1.12 C ATOM 680 CD GLU A 45 11.695 -2.475 6.695 1.00 1.39 C ATOM 681 OE1 GLU A 45 11.307 -1.398 7.203 1.00 1.78 O ATOM 682 OE2 GLU A 45 11.500 -3.583 7.231 1.00 1.83 O ATOM 0 H GLU A 45 12.608 -1.626 2.573 1.00 0.32 H new ATOM 0 HA GLU A 45 13.339 -4.199 3.556 1.00 0.42 H new ATOM 0 HB2 GLU A 45 10.821 -2.536 3.858 1.00 0.48 H new ATOM 0 HB3 GLU A 45 11.112 -4.044 4.702 1.00 0.48 H new ATOM 0 HG2 GLU A 45 13.373 -2.848 5.423 1.00 1.12 H new ATOM 0 HG3 GLU A 45 12.487 -1.387 5.034 1.00 1.12 H new ATOM 689 N THR A 46 11.320 -4.114 1.014 1.00 0.35 N ATOM 690 CA THR A 46 10.705 -4.998 0.022 1.00 0.42 C ATOM 691 C THR A 46 11.658 -6.136 -0.319 1.00 0.52 C ATOM 692 O THR A 46 11.247 -7.286 -0.404 1.00 0.57 O ATOM 693 CB THR A 46 10.306 -4.287 -1.297 1.00 0.46 C ATOM 694 OG1 THR A 46 11.465 -3.856 -2.016 1.00 1.03 O ATOM 695 CG2 THR A 46 9.403 -3.094 -1.041 1.00 0.66 C ATOM 0 H THR A 46 11.358 -3.130 0.748 1.00 0.35 H new ATOM 0 HA THR A 46 9.788 -5.364 0.484 1.00 0.42 H new ATOM 0 HB THR A 46 9.758 -5.015 -1.895 1.00 0.46 H new ATOM 0 HG1 THR A 46 12.097 -3.436 -1.396 1.00 1.03 H new ATOM 0 HG21 THR A 46 9.145 -2.623 -1.989 1.00 0.66 H new ATOM 0 HG22 THR A 46 8.493 -3.427 -0.542 1.00 0.66 H new ATOM 0 HG23 THR A 46 9.922 -2.375 -0.407 1.00 0.66 H new ATOM 703 N ALA A 47 12.939 -5.801 -0.478 1.00 0.58 N ATOM 704 CA ALA A 47 13.968 -6.779 -0.811 1.00 0.71 C ATOM 705 C ALA A 47 14.018 -7.894 0.225 1.00 0.76 C ATOM 706 O ALA A 47 14.162 -9.067 -0.118 1.00 0.88 O ATOM 707 CB ALA A 47 15.325 -6.093 -0.920 1.00 0.78 C ATOM 0 H ALA A 47 13.288 -4.848 -0.380 1.00 0.58 H new ATOM 0 HA ALA A 47 13.718 -7.226 -1.773 1.00 0.71 H new ATOM 0 HB1 ALA A 47 16.087 -6.831 -1.169 1.00 0.78 H new ATOM 0 HB2 ALA A 47 15.287 -5.333 -1.701 1.00 0.78 H new ATOM 0 HB3 ALA A 47 15.573 -5.623 0.032 1.00 0.78 H new ATOM 713 N GLU A 48 13.869 -7.512 1.487 1.00 0.74 N ATOM 714 CA GLU A 48 13.886 -8.456 2.595 1.00 0.85 C ATOM 715 C GLU A 48 12.724 -9.442 2.481 1.00 0.78 C ATOM 716 O GLU A 48 12.896 -10.652 2.608 1.00 0.94 O ATOM 717 CB GLU A 48 13.808 -7.684 3.916 1.00 0.94 C ATOM 718 CG GLU A 48 13.737 -8.561 5.155 1.00 1.48 C ATOM 719 CD GLU A 48 14.971 -9.416 5.349 1.00 1.79 C ATOM 720 OE1 GLU A 48 14.902 -10.631 5.089 1.00 2.51 O ATOM 721 OE2 GLU A 48 16.008 -8.877 5.789 1.00 1.88 O ATOM 0 H GLU A 48 13.733 -6.541 1.770 1.00 0.74 H new ATOM 0 HA GLU A 48 14.814 -9.028 2.565 1.00 0.85 H new ATOM 0 HB2 GLU A 48 14.680 -7.035 3.995 1.00 0.94 H new ATOM 0 HB3 GLU A 48 12.931 -7.037 3.893 1.00 0.94 H new ATOM 0 HG2 GLU A 48 13.598 -7.929 6.032 1.00 1.48 H new ATOM 0 HG3 GLU A 48 12.862 -9.207 5.086 1.00 1.48 H new ATOM 728 N VAL A 49 11.537 -8.922 2.219 1.00 0.60 N ATOM 729 CA VAL A 49 10.357 -9.765 2.101 1.00 0.55 C ATOM 730 C VAL A 49 10.332 -10.500 0.759 1.00 0.65 C ATOM 731 O VAL A 49 9.816 -11.613 0.666 1.00 0.76 O ATOM 732 CB VAL A 49 9.051 -8.965 2.294 1.00 0.47 C ATOM 733 CG1 VAL A 49 7.846 -9.887 2.239 1.00 0.57 C ATOM 734 CG2 VAL A 49 9.073 -8.221 3.618 1.00 0.59 C ATOM 0 H VAL A 49 11.364 -7.926 2.084 1.00 0.60 H new ATOM 0 HA VAL A 49 10.418 -10.502 2.902 1.00 0.55 H new ATOM 0 HB VAL A 49 8.975 -8.240 1.484 1.00 0.47 H new ATOM 0 HG11 VAL A 49 6.935 -9.304 2.377 1.00 0.57 H new ATOM 0 HG12 VAL A 49 7.814 -10.386 1.271 1.00 0.57 H new ATOM 0 HG13 VAL A 49 7.923 -10.633 3.030 1.00 0.57 H new ATOM 0 HG21 VAL A 49 8.145 -7.663 3.737 1.00 0.59 H new ATOM 0 HG22 VAL A 49 9.174 -8.935 4.435 1.00 0.59 H new ATOM 0 HG23 VAL A 49 9.916 -7.530 3.633 1.00 0.59 H new ATOM 738 N GLU A 50 10.870 -9.881 -0.285 1.00 0.70 N ATOM 739 CA GLU A 50 10.889 -10.501 -1.606 1.00 0.91 C ATOM 740 C GLU A 50 11.795 -11.722 -1.647 1.00 1.07 C ATOM 741 O GLU A 50 11.453 -12.725 -2.269 1.00 1.22 O ATOM 742 CB GLU A 50 11.295 -9.514 -2.699 1.00 1.03 C ATOM 743 CG GLU A 50 10.191 -8.539 -3.073 1.00 1.14 C ATOM 744 CD GLU A 50 10.394 -7.939 -4.447 1.00 1.46 C ATOM 745 OE1 GLU A 50 9.845 -8.492 -5.424 1.00 1.81 O ATOM 746 OE2 GLU A 50 11.115 -6.928 -4.561 1.00 1.96 O ATOM 0 H GLU A 50 11.297 -8.956 -0.244 1.00 0.70 H new ATOM 0 HA GLU A 50 9.867 -10.824 -1.802 1.00 0.91 H new ATOM 0 HB2 GLU A 50 12.168 -8.953 -2.365 1.00 1.03 H new ATOM 0 HB3 GLU A 50 11.595 -10.070 -3.587 1.00 1.03 H new ATOM 0 HG2 GLU A 50 9.230 -9.053 -3.042 1.00 1.14 H new ATOM 0 HG3 GLU A 50 10.149 -7.740 -2.333 1.00 1.14 H new ATOM 753 N GLN A 51 12.934 -11.651 -0.971 1.00 1.10 N ATOM 754 CA GLN A 51 13.869 -12.768 -0.964 1.00 1.31 C ATOM 755 C GLN A 51 13.326 -13.938 -0.148 1.00 1.39 C ATOM 756 O GLN A 51 13.774 -15.073 -0.298 1.00 1.61 O ATOM 757 CB GLN A 51 15.230 -12.337 -0.416 1.00 1.34 C ATOM 758 CG GLN A 51 15.193 -11.824 1.014 1.00 1.24 C ATOM 759 CD GLN A 51 16.563 -11.422 1.518 1.00 1.70 C ATOM 760 OE1 GLN A 51 17.430 -11.025 0.738 1.00 2.25 O ATOM 761 NE2 GLN A 51 16.763 -11.505 2.822 1.00 2.01 N ATOM 0 H GLN A 51 13.231 -10.841 -0.426 1.00 1.10 H new ATOM 0 HA GLN A 51 13.994 -13.096 -1.996 1.00 1.31 H new ATOM 0 HB2 GLN A 51 15.915 -13.184 -0.469 1.00 1.34 H new ATOM 0 HB3 GLN A 51 15.637 -11.557 -1.059 1.00 1.34 H new ATOM 0 HG2 GLN A 51 14.521 -10.967 1.073 1.00 1.24 H new ATOM 0 HG3 GLN A 51 14.782 -12.597 1.664 1.00 1.24 H new ATOM 0 HE21 GLN A 51 16.017 -11.839 3.432 1.00 2.01 H new ATOM 0 HE22 GLN A 51 17.663 -11.235 3.218 1.00 2.01 H new ATOM 770 N ASN A 52 12.358 -13.655 0.711 1.00 1.22 N ATOM 771 CA ASN A 52 11.808 -14.672 1.598 1.00 1.34 C ATOM 772 C ASN A 52 10.413 -15.123 1.161 1.00 1.34 C ATOM 773 O ASN A 52 9.986 -16.234 1.462 1.00 1.53 O ATOM 774 CB ASN A 52 11.793 -14.149 3.033 1.00 1.26 C ATOM 775 CG ASN A 52 13.183 -14.140 3.646 1.00 1.72 C ATOM 776 OD1 ASN A 52 13.984 -15.043 3.404 1.00 2.34 O ATOM 777 ND2 ASN A 52 13.492 -13.113 4.418 1.00 2.03 N ATOM 0 H ASN A 52 11.937 -12.732 0.813 1.00 1.22 H new ATOM 0 HA ASN A 52 12.450 -15.551 1.545 1.00 1.34 H new ATOM 0 HB2 ASN A 52 11.383 -13.139 3.047 1.00 1.26 H new ATOM 0 HB3 ASN A 52 11.133 -14.770 3.639 1.00 1.26 H new ATOM 0 HD21 ASN A 52 14.420 -13.050 4.836 1.00 2.03 H new ATOM 0 HD22 ASN A 52 12.802 -12.383 4.596 1.00 2.03 H new ATOM 784 N GLY A 53 9.714 -14.246 0.444 1.00 1.22 N ATOM 785 CA GLY A 53 8.425 -14.596 -0.133 1.00 1.33 C ATOM 786 C GLY A 53 7.298 -14.653 0.885 1.00 0.94 C ATOM 787 O GLY A 53 6.550 -15.626 0.925 1.00 1.13 O ATOM 0 H GLY A 53 10.020 -13.292 0.251 1.00 1.22 H new ATOM 0 HA2 GLY A 53 8.171 -13.868 -0.903 1.00 1.33 H new ATOM 0 HA3 GLY A 53 8.508 -15.565 -0.626 1.00 1.33 H new ATOM 791 N GLY A 54 7.157 -13.610 1.699 1.00 0.62 N ATOM 792 CA GLY A 54 6.144 -13.630 2.742 1.00 0.72 C ATOM 793 C GLY A 54 4.976 -12.686 2.508 1.00 0.50 C ATOM 794 O GLY A 54 5.174 -11.476 2.408 1.00 0.89 O ATOM 0 H GLY A 54 7.719 -12.760 1.657 1.00 0.62 H new ATOM 0 HA2 GLY A 54 5.760 -14.646 2.838 1.00 0.72 H new ATOM 0 HA3 GLY A 54 6.614 -13.376 3.692 1.00 0.72 H new ATOM 798 N LEU A 55 3.764 -13.246 2.392 1.00 0.68 N ATOM 799 CA LEU A 55 2.528 -12.454 2.417 1.00 0.60 C ATOM 800 C LEU A 55 1.277 -13.322 2.317 1.00 0.60 C ATOM 801 O LEU A 55 1.177 -14.196 1.457 1.00 0.63 O ATOM 802 CB LEU A 55 2.472 -11.416 1.294 1.00 0.64 C ATOM 803 CG LEU A 55 1.181 -10.601 1.259 1.00 0.65 C ATOM 804 CD1 LEU A 55 0.956 -9.927 2.598 1.00 1.38 C ATOM 805 CD2 LEU A 55 1.227 -9.571 0.148 1.00 1.19 C ATOM 0 H LEU A 55 3.614 -14.249 2.280 1.00 0.68 H new ATOM 0 HA LEU A 55 2.545 -11.946 3.381 1.00 0.60 H new ATOM 0 HB2 LEU A 55 3.316 -10.735 1.402 1.00 0.64 H new ATOM 0 HB3 LEU A 55 2.593 -11.925 0.338 1.00 0.64 H new ATOM 0 HG LEU A 55 0.349 -11.277 1.061 1.00 0.65 H new ATOM 0 HD11 LEU A 55 0.033 -9.348 2.563 1.00 1.38 H new ATOM 0 HD12 LEU A 55 0.880 -10.684 3.378 1.00 1.38 H new ATOM 0 HD13 LEU A 55 1.793 -9.263 2.816 1.00 1.38 H new ATOM 0 HD21 LEU A 55 0.298 -9.002 0.141 1.00 1.19 H new ATOM 0 HD22 LEU A 55 2.066 -8.895 0.313 1.00 1.19 H new ATOM 0 HD23 LEU A 55 1.351 -10.075 -0.811 1.00 1.19 H new ATOM 817 N PHE A 56 0.329 -13.066 3.204 1.00 0.62 N ATOM 818 CA PHE A 56 -1.024 -13.575 3.069 1.00 0.66 C ATOM 819 C PHE A 56 -1.986 -12.387 3.119 1.00 0.63 C ATOM 820 O PHE A 56 -2.270 -11.850 4.188 1.00 0.71 O ATOM 821 CB PHE A 56 -1.327 -14.589 4.174 1.00 0.78 C ATOM 822 CG PHE A 56 -2.606 -15.350 3.972 1.00 1.13 C ATOM 823 CD1 PHE A 56 -3.728 -15.048 4.728 1.00 2.02 C ATOM 824 CD2 PHE A 56 -2.693 -16.353 3.020 1.00 1.07 C ATOM 825 CE1 PHE A 56 -4.911 -15.735 4.543 1.00 2.87 C ATOM 826 CE2 PHE A 56 -3.875 -17.044 2.830 1.00 1.81 C ATOM 827 CZ PHE A 56 -4.960 -16.780 3.603 1.00 2.74 C ATOM 0 H PHE A 56 0.477 -12.499 4.039 1.00 0.62 H new ATOM 0 HA PHE A 56 -1.142 -14.096 2.119 1.00 0.66 H new ATOM 0 HB2 PHE A 56 -0.501 -15.298 4.239 1.00 0.78 H new ATOM 0 HB3 PHE A 56 -1.374 -14.066 5.129 1.00 0.78 H new ATOM 0 HD1 PHE A 56 -3.676 -14.266 5.471 1.00 2.02 H new ATOM 0 HD2 PHE A 56 -1.829 -16.597 2.420 1.00 1.07 H new ATOM 0 HE1 PHE A 56 -5.789 -15.473 5.114 1.00 2.87 H new ATOM 0 HE2 PHE A 56 -3.936 -17.800 2.061 1.00 1.81 H new ATOM 0 HZ PHE A 56 -5.858 -17.371 3.496 1.00 2.74 H new ATOM 837 N ILE A 57 -2.461 -11.976 1.945 1.00 0.57 N ATOM 838 CA ILE A 57 -3.209 -10.722 1.781 1.00 0.53 C ATOM 839 C ILE A 57 -4.587 -10.743 2.435 1.00 0.58 C ATOM 840 O ILE A 57 -4.910 -11.641 3.211 1.00 0.68 O ATOM 841 CB ILE A 57 -3.410 -10.379 0.289 1.00 0.51 C ATOM 842 CG1 ILE A 57 -2.936 -11.516 -0.602 1.00 0.53 C ATOM 843 CG2 ILE A 57 -2.696 -9.093 -0.085 1.00 0.52 C ATOM 844 CD1 ILE A 57 -3.044 -11.186 -2.063 1.00 0.61 C ATOM 0 H ILE A 57 -2.341 -12.500 1.078 1.00 0.57 H new ATOM 0 HA ILE A 57 -2.597 -9.969 2.278 1.00 0.53 H new ATOM 0 HB ILE A 57 -4.479 -10.235 0.132 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -1.899 -11.753 -0.362 1.00 0.53 H new ATOM 0 HG13 ILE A 57 -3.524 -12.409 -0.390 1.00 0.53 H new ATOM 0 HG21 ILE A 57 -2.858 -8.881 -1.142 1.00 0.52 H new ATOM 0 HG22 ILE A 57 -3.088 -8.271 0.514 1.00 0.52 H new ATOM 0 HG23 ILE A 57 -1.628 -9.202 0.104 1.00 0.52 H new ATOM 0 HD11 ILE A 57 -2.693 -12.032 -2.654 1.00 0.61 H new ATOM 0 HD12 ILE A 57 -4.084 -10.976 -2.313 1.00 0.61 H new ATOM 0 HD13 ILE A 57 -2.434 -10.310 -2.284 1.00 0.61 H new ATOM 851 N MET A 58 -5.389 -9.729 2.077 1.00 0.56 N ATOM 852 CA MET A 58 -6.769 -9.579 2.550 1.00 0.61 C ATOM 853 C MET A 58 -7.507 -10.920 2.563 1.00 0.70 C ATOM 854 O MET A 58 -8.151 -11.273 3.553 1.00 0.79 O ATOM 855 CB MET A 58 -7.533 -8.581 1.667 1.00 0.75 C ATOM 856 CG MET A 58 -6.881 -8.274 0.318 1.00 0.60 C ATOM 857 SD MET A 58 -8.036 -7.509 -0.828 1.00 0.77 S ATOM 858 CE MET A 58 -7.958 -5.826 -0.247 1.00 0.91 C ATOM 0 H MET A 58 -5.093 -8.985 1.445 1.00 0.56 H new ATOM 0 HA MET A 58 -6.725 -9.201 3.572 1.00 0.61 H new ATOM 0 HB2 MET A 58 -8.535 -8.972 1.488 1.00 0.75 H new ATOM 0 HB3 MET A 58 -7.649 -7.647 2.218 1.00 0.75 H new ATOM 0 HG2 MET A 58 -6.028 -7.612 0.469 1.00 0.60 H new ATOM 0 HG3 MET A 58 -6.496 -9.196 -0.117 1.00 0.60 H new ATOM 0 HE1 MET A 58 -8.619 -5.202 -0.849 1.00 0.91 H new ATOM 0 HE2 MET A 58 -8.272 -5.786 0.796 1.00 0.91 H new ATOM 0 HE3 MET A 58 -6.935 -5.459 -0.332 1.00 0.91 H new ATOM 868 N ASN A 59 -7.410 -11.663 1.466 1.00 0.78 N ATOM 869 CA ASN A 59 -7.946 -13.021 1.421 1.00 0.98 C ATOM 870 C ASN A 59 -6.835 -14.039 1.222 1.00 0.95 C ATOM 871 O ASN A 59 -6.864 -15.125 1.793 1.00 1.12 O ATOM 872 CB ASN A 59 -8.961 -13.176 0.285 1.00 1.17 C ATOM 873 CG ASN A 59 -9.416 -14.617 0.097 1.00 1.50 C ATOM 874 OD1 ASN A 59 -10.428 -15.040 0.656 1.00 2.28 O ATOM 875 ND2 ASN A 59 -8.656 -15.391 -0.672 1.00 1.66 N ATOM 0 H ASN A 59 -6.969 -11.352 0.601 1.00 0.78 H new ATOM 0 HA ASN A 59 -8.439 -13.201 2.376 1.00 0.98 H new ATOM 0 HB2 ASN A 59 -9.829 -12.549 0.490 1.00 1.17 H new ATOM 0 HB3 ASN A 59 -8.519 -12.815 -0.644 1.00 1.17 H new ATOM 0 HD21 ASN A 59 -8.905 -16.370 -0.814 1.00 1.66 H new ATOM 0 HD22 ASN A 59 -7.824 -15.006 -1.119 1.00 1.66 H new ATOM 882 N GLY A 60 -5.846 -13.677 0.421 1.00 0.86 N ATOM 883 CA GLY A 60 -4.836 -14.636 0.032 1.00 0.96 C ATOM 884 C GLY A 60 -5.120 -15.210 -1.341 1.00 1.09 C ATOM 885 O GLY A 60 -4.458 -16.149 -1.776 1.00 1.21 O ATOM 0 H GLY A 60 -5.725 -12.741 0.035 1.00 0.86 H new ATOM 0 HA2 GLY A 60 -3.857 -14.156 0.032 1.00 0.96 H new ATOM 0 HA3 GLY A 60 -4.796 -15.442 0.764 1.00 0.96 H new ATOM 889 N SER A 61 -6.118 -14.635 -2.013 1.00 1.15 N ATOM 890 CA SER A 61 -6.551 -15.086 -3.336 1.00 1.32 C ATOM 891 C SER A 61 -5.379 -15.111 -4.312 1.00 1.22 C ATOM 892 O SER A 61 -5.109 -16.121 -4.962 1.00 1.35 O ATOM 893 CB SER A 61 -7.644 -14.147 -3.841 1.00 1.51 C ATOM 894 OG SER A 61 -7.292 -12.796 -3.573 1.00 2.18 O ATOM 0 H SER A 61 -6.650 -13.842 -1.655 1.00 1.15 H new ATOM 0 HA SER A 61 -6.941 -16.101 -3.262 1.00 1.32 H new ATOM 0 HB2 SER A 61 -7.788 -14.287 -4.912 1.00 1.51 H new ATOM 0 HB3 SER A 61 -8.591 -14.386 -3.358 1.00 1.51 H new ATOM 0 HG SER A 61 -7.999 -12.202 -3.902 1.00 2.18 H new ATOM 900 N ARG A 62 -4.701 -13.982 -4.412 1.00 1.08 N ATOM 901 CA ARG A 62 -3.450 -13.885 -5.147 1.00 1.05 C ATOM 902 C ARG A 62 -2.322 -13.633 -4.155 1.00 1.03 C ATOM 903 O ARG A 62 -1.554 -12.676 -4.282 1.00 1.46 O ATOM 904 CB ARG A 62 -3.523 -12.754 -6.170 1.00 1.14 C ATOM 905 CG ARG A 62 -3.978 -11.432 -5.577 1.00 1.69 C ATOM 906 CD ARG A 62 -3.732 -10.293 -6.538 1.00 1.79 C ATOM 907 NE ARG A 62 -4.538 -10.422 -7.751 1.00 2.06 N ATOM 908 CZ ARG A 62 -4.839 -9.409 -8.561 1.00 2.25 C ATOM 909 NH1 ARG A 62 -4.378 -8.190 -8.311 1.00 2.23 N ATOM 910 NH2 ARG A 62 -5.591 -9.620 -9.634 1.00 2.89 N ATOM 0 H ARG A 62 -5.001 -13.105 -3.986 1.00 1.08 H new ATOM 0 HA ARG A 62 -3.265 -14.814 -5.686 1.00 1.05 H new ATOM 0 HB2 ARG A 62 -2.541 -12.621 -6.624 1.00 1.14 H new ATOM 0 HB3 ARG A 62 -4.207 -13.040 -6.969 1.00 1.14 H new ATOM 0 HG2 ARG A 62 -5.039 -11.485 -5.334 1.00 1.69 H new ATOM 0 HG3 ARG A 62 -3.446 -11.246 -4.644 1.00 1.69 H new ATOM 0 HD2 ARG A 62 -3.962 -9.347 -6.047 1.00 1.79 H new ATOM 0 HD3 ARG A 62 -2.676 -10.264 -6.805 1.00 1.79 H new ATOM 0 HE ARG A 62 -4.892 -11.347 -7.992 1.00 2.06 H new ATOM 0 HH11 ARG A 62 -3.789 -8.025 -7.494 1.00 2.23 H new ATOM 0 HH12 ARG A 62 -4.612 -7.418 -8.935 1.00 2.23 H new ATOM 0 HH21 ARG A 62 -5.938 -10.557 -9.837 1.00 2.89 H new ATOM 0 HH22 ARG A 62 -5.822 -8.845 -10.255 1.00 2.89 H new ATOM 924 N ARG A 63 -2.251 -14.507 -3.160 1.00 0.89 N ATOM 925 CA ARG A 63 -1.403 -14.312 -1.985 1.00 0.87 C ATOM 926 C ARG A 63 0.036 -13.956 -2.363 1.00 0.75 C ATOM 927 O ARG A 63 0.633 -14.586 -3.238 1.00 0.75 O ATOM 928 CB ARG A 63 -1.420 -15.561 -1.100 1.00 0.98 C ATOM 929 CG ARG A 63 -0.837 -16.799 -1.756 1.00 1.56 C ATOM 930 CD ARG A 63 -1.219 -18.053 -0.993 1.00 1.54 C ATOM 931 NE ARG A 63 -2.665 -18.277 -1.006 1.00 2.34 N ATOM 932 CZ ARG A 63 -3.250 -19.380 -0.548 1.00 2.60 C ATOM 933 NH1 ARG A 63 -2.524 -20.348 -0.001 1.00 2.07 N ATOM 934 NH2 ARG A 63 -4.567 -19.512 -0.622 1.00 3.59 N ATOM 0 H ARG A 63 -2.782 -15.378 -3.142 1.00 0.89 H new ATOM 0 HA ARG A 63 -1.814 -13.469 -1.429 1.00 0.87 H new ATOM 0 HB2 ARG A 63 -0.864 -15.352 -0.186 1.00 0.98 H new ATOM 0 HB3 ARG A 63 -2.449 -15.770 -0.806 1.00 0.98 H new ATOM 0 HG2 ARG A 63 -1.194 -16.872 -2.783 1.00 1.56 H new ATOM 0 HG3 ARG A 63 0.249 -16.713 -1.801 1.00 1.56 H new ATOM 0 HD2 ARG A 63 -0.714 -18.914 -1.432 1.00 1.54 H new ATOM 0 HD3 ARG A 63 -0.873 -17.971 0.037 1.00 1.54 H new ATOM 0 HE ARG A 63 -3.260 -17.543 -1.390 1.00 2.34 H new ATOM 0 HH11 ARG A 63 -1.511 -20.248 0.070 1.00 2.07 H new ATOM 0 HH12 ARG A 63 -2.979 -21.191 0.348 1.00 2.07 H new ATOM 0 HH21 ARG A 63 -5.132 -18.767 -1.030 1.00 3.59 H new ATOM 0 HH22 ARG A 63 -5.015 -20.358 -0.271 1.00 3.59 H new ATOM 948 N ARG A 64 0.566 -12.923 -1.714 1.00 0.70 N ATOM 949 CA ARG A 64 1.965 -12.530 -1.879 1.00 0.62 C ATOM 950 C ARG A 64 2.225 -11.971 -3.290 1.00 0.57 C ATOM 951 O ARG A 64 3.215 -12.297 -3.950 1.00 0.77 O ATOM 952 CB ARG A 64 2.871 -13.726 -1.531 1.00 0.71 C ATOM 953 CG ARG A 64 4.360 -13.451 -1.579 1.00 0.77 C ATOM 954 CD ARG A 64 4.712 -12.100 -0.992 1.00 0.75 C ATOM 955 NE ARG A 64 6.158 -11.924 -0.910 1.00 1.06 N ATOM 956 CZ ARG A 64 6.953 -11.787 -1.975 1.00 1.34 C ATOM 957 NH1 ARG A 64 6.443 -11.714 -3.201 1.00 1.98 N ATOM 958 NH2 ARG A 64 8.260 -11.708 -1.816 1.00 1.56 N ATOM 0 H ARG A 64 0.043 -12.337 -1.063 1.00 0.70 H new ATOM 0 HA ARG A 64 2.202 -11.718 -1.192 1.00 0.62 H new ATOM 0 HB2 ARG A 64 2.615 -14.074 -0.530 1.00 0.71 H new ATOM 0 HB3 ARG A 64 2.647 -14.541 -2.219 1.00 0.71 H new ATOM 0 HG2 ARG A 64 4.890 -14.232 -1.033 1.00 0.77 H new ATOM 0 HG3 ARG A 64 4.703 -13.497 -2.613 1.00 0.77 H new ATOM 0 HD2 ARG A 64 4.281 -11.310 -1.606 1.00 0.75 H new ATOM 0 HD3 ARG A 64 4.274 -12.006 0.002 1.00 0.75 H new ATOM 0 HE ARG A 64 6.587 -11.904 0.015 1.00 1.06 H new ATOM 0 HH11 ARG A 64 5.433 -11.763 -3.337 1.00 1.98 H new ATOM 0 HH12 ARG A 64 7.062 -11.609 -4.005 1.00 1.98 H new ATOM 0 HH21 ARG A 64 8.663 -11.752 -0.880 1.00 1.56 H new ATOM 0 HH22 ARG A 64 8.867 -11.603 -2.629 1.00 1.56 H new ATOM 972 N THR A 65 1.314 -11.115 -3.727 1.00 0.44 N ATOM 973 CA THR A 65 1.454 -10.377 -4.979 1.00 0.40 C ATOM 974 C THR A 65 2.494 -9.255 -4.820 1.00 0.35 C ATOM 975 O THR A 65 2.565 -8.646 -3.762 1.00 0.33 O ATOM 976 CB THR A 65 0.086 -9.782 -5.382 1.00 0.40 C ATOM 977 OG1 THR A 65 0.207 -8.960 -6.547 1.00 0.41 O ATOM 978 CG2 THR A 65 -0.501 -8.969 -4.237 1.00 0.40 C ATOM 0 H THR A 65 0.451 -10.910 -3.223 1.00 0.44 H new ATOM 0 HA THR A 65 1.794 -11.057 -5.760 1.00 0.40 H new ATOM 0 HB THR A 65 -0.584 -10.611 -5.610 1.00 0.40 H new ATOM 0 HG1 THR A 65 -0.672 -8.596 -6.783 1.00 0.41 H new ATOM 0 HG21 THR A 65 -1.464 -8.558 -4.539 1.00 0.40 H new ATOM 0 HG22 THR A 65 -0.637 -9.611 -3.367 1.00 0.40 H new ATOM 0 HG23 THR A 65 0.178 -8.155 -3.984 1.00 0.40 H new ATOM 986 N PRO A 66 3.295 -8.962 -5.871 1.00 0.36 N ATOM 987 CA PRO A 66 4.423 -7.997 -5.822 1.00 0.35 C ATOM 988 C PRO A 66 4.077 -6.677 -5.142 1.00 0.27 C ATOM 989 O PRO A 66 4.682 -6.323 -4.130 1.00 0.26 O ATOM 990 CB PRO A 66 4.737 -7.753 -7.308 1.00 0.42 C ATOM 991 CG PRO A 66 3.575 -8.340 -8.041 1.00 0.44 C ATOM 992 CD PRO A 66 3.155 -9.512 -7.217 1.00 0.43 C ATOM 0 HA PRO A 66 5.252 -8.394 -5.236 1.00 0.35 H new ATOM 0 HB2 PRO A 66 4.844 -6.689 -7.521 1.00 0.42 H new ATOM 0 HB3 PRO A 66 5.672 -8.232 -7.599 1.00 0.42 H new ATOM 0 HG2 PRO A 66 2.765 -7.617 -8.142 1.00 0.44 H new ATOM 0 HG3 PRO A 66 3.857 -8.646 -9.049 1.00 0.44 H new ATOM 0 HD2 PRO A 66 2.133 -9.824 -7.432 1.00 0.43 H new ATOM 0 HD3 PRO A 66 3.794 -10.381 -7.377 1.00 0.43 H new ATOM 1000 N GLY A 67 3.090 -5.967 -5.676 1.00 0.25 N ATOM 1001 CA GLY A 67 2.687 -4.711 -5.077 1.00 0.21 C ATOM 1002 C GLY A 67 2.065 -4.931 -3.718 1.00 0.20 C ATOM 1003 O GLY A 67 2.248 -4.139 -2.796 1.00 0.23 O ATOM 0 H GLY A 67 2.565 -6.237 -6.508 1.00 0.25 H new ATOM 0 HA2 GLY A 67 3.553 -4.055 -4.982 1.00 0.21 H new ATOM 0 HA3 GLY A 67 1.974 -4.206 -5.729 1.00 0.21 H new ATOM 1007 N GLY A 68 1.348 -6.037 -3.608 1.00 0.23 N ATOM 1008 CA GLY A 68 0.738 -6.436 -2.356 1.00 0.28 C ATOM 1009 C GLY A 68 1.760 -6.605 -1.248 1.00 0.27 C ATOM 1010 O GLY A 68 1.467 -6.353 -0.081 1.00 0.30 O ATOM 0 H GLY A 68 1.174 -6.679 -4.381 1.00 0.23 H new ATOM 0 HA2 GLY A 68 0.002 -5.689 -2.058 1.00 0.28 H new ATOM 0 HA3 GLY A 68 0.201 -7.374 -2.498 1.00 0.28 H new ATOM 1014 N VAL A 69 2.963 -7.035 -1.616 1.00 0.27 N ATOM 1015 CA VAL A 69 4.033 -7.255 -0.649 1.00 0.27 C ATOM 1016 C VAL A 69 4.425 -5.950 0.018 1.00 0.24 C ATOM 1017 O VAL A 69 4.772 -5.916 1.196 1.00 0.23 O ATOM 1018 CB VAL A 69 5.287 -7.868 -1.297 1.00 0.31 C ATOM 1019 CG1 VAL A 69 6.271 -8.297 -0.237 1.00 0.64 C ATOM 1020 CG2 VAL A 69 4.929 -9.048 -2.163 1.00 0.74 C ATOM 0 H VAL A 69 3.222 -7.239 -2.581 1.00 0.27 H new ATOM 0 HA VAL A 69 3.644 -7.957 0.089 1.00 0.27 H new ATOM 0 HB VAL A 69 5.744 -7.103 -1.925 1.00 0.31 H new ATOM 0 HG11 VAL A 69 7.152 -8.728 -0.712 1.00 0.64 H new ATOM 0 HG12 VAL A 69 6.566 -7.432 0.357 1.00 0.64 H new ATOM 0 HG13 VAL A 69 5.807 -9.041 0.411 1.00 0.64 H new ATOM 0 HG21 VAL A 69 5.834 -9.461 -2.608 1.00 0.74 H new ATOM 0 HG22 VAL A 69 4.443 -9.811 -1.555 1.00 0.74 H new ATOM 0 HG23 VAL A 69 4.250 -8.727 -2.953 1.00 0.74 H new ATOM 1024 N PHE A 70 4.370 -4.873 -0.745 1.00 0.22 N ATOM 1025 CA PHE A 70 4.614 -3.557 -0.198 1.00 0.20 C ATOM 1026 C PHE A 70 3.522 -3.204 0.806 1.00 0.20 C ATOM 1027 O PHE A 70 3.791 -2.546 1.805 1.00 0.20 O ATOM 1028 CB PHE A 70 4.699 -2.510 -1.309 1.00 0.22 C ATOM 1029 CG PHE A 70 4.808 -1.094 -0.814 1.00 0.20 C ATOM 1030 CD1 PHE A 70 3.699 -0.405 -0.343 1.00 0.23 C ATOM 1031 CD2 PHE A 70 6.032 -0.452 -0.827 1.00 0.21 C ATOM 1032 CE1 PHE A 70 3.821 0.897 0.105 1.00 0.26 C ATOM 1033 CE2 PHE A 70 6.161 0.839 -0.387 1.00 0.24 C ATOM 1034 CZ PHE A 70 4.959 1.516 0.117 1.00 0.25 C ATOM 0 H PHE A 70 4.159 -4.887 -1.743 1.00 0.22 H new ATOM 0 HA PHE A 70 5.574 -3.564 0.319 1.00 0.20 H new ATOM 0 HB2 PHE A 70 5.563 -2.731 -1.936 1.00 0.22 H new ATOM 0 HB3 PHE A 70 3.815 -2.595 -1.942 1.00 0.22 H new ATOM 0 HD1 PHE A 70 2.734 -0.890 -0.326 1.00 0.23 H new ATOM 0 HD2 PHE A 70 6.903 -0.978 -1.191 1.00 0.21 H new ATOM 0 HE1 PHE A 70 2.940 1.414 0.456 1.00 0.26 H new ATOM 0 HE2 PHE A 70 7.116 1.343 -0.410 1.00 0.24 H new ATOM 0 HZ PHE A 70 5.024 2.525 0.496 1.00 0.25 H new ATOM 1044 N LEU A 71 2.283 -3.631 0.550 1.00 0.21 N ATOM 1045 CA LEU A 71 1.212 -3.372 1.510 1.00 0.24 C ATOM 1046 C LEU A 71 1.592 -4.040 2.832 1.00 0.24 C ATOM 1047 O LEU A 71 1.296 -3.533 3.909 1.00 0.26 O ATOM 1048 CB LEU A 71 -0.186 -3.898 1.096 1.00 0.31 C ATOM 1049 CG LEU A 71 -0.746 -3.617 -0.313 1.00 0.28 C ATOM 1050 CD1 LEU A 71 -2.164 -3.090 -0.213 1.00 0.32 C ATOM 1051 CD2 LEU A 71 0.111 -2.647 -1.090 1.00 0.30 C ATOM 0 H LEU A 71 2.003 -4.142 -0.287 1.00 0.21 H new ATOM 0 HA LEU A 71 1.122 -2.288 1.578 1.00 0.24 H new ATOM 0 HB2 LEU A 71 -0.173 -4.980 1.226 1.00 0.31 H new ATOM 0 HB3 LEU A 71 -0.904 -3.499 1.812 1.00 0.31 H new ATOM 0 HG LEU A 71 -0.741 -4.562 -0.857 1.00 0.28 H new ATOM 0 HD11 LEU A 71 -2.551 -2.894 -1.213 1.00 0.32 H new ATOM 0 HD12 LEU A 71 -2.793 -3.830 0.281 1.00 0.32 H new ATOM 0 HD13 LEU A 71 -2.169 -2.166 0.365 1.00 0.32 H new ATOM 0 HD21 LEU A 71 -0.327 -2.483 -2.075 1.00 0.30 H new ATOM 0 HD22 LEU A 71 0.165 -1.699 -0.554 1.00 0.30 H new ATOM 0 HD23 LEU A 71 1.114 -3.058 -1.203 1.00 0.30 H new ATOM 1063 N ASN A 72 2.260 -5.194 2.719 1.00 0.24 N ATOM 1064 CA ASN A 72 2.725 -5.960 3.878 1.00 0.27 C ATOM 1065 C ASN A 72 3.744 -5.145 4.670 1.00 0.26 C ATOM 1066 O ASN A 72 3.902 -5.318 5.872 1.00 0.34 O ATOM 1067 CB ASN A 72 3.339 -7.299 3.433 1.00 0.31 C ATOM 1068 CG ASN A 72 3.751 -8.181 4.599 1.00 0.46 C ATOM 1069 OD1 ASN A 72 3.161 -8.127 5.678 1.00 1.08 O ATOM 1070 ND2 ASN A 72 4.756 -9.013 4.379 1.00 0.67 N ATOM 0 H ASN A 72 2.492 -5.621 1.822 1.00 0.24 H new ATOM 0 HA ASN A 72 1.870 -6.173 4.519 1.00 0.27 H new ATOM 0 HB2 ASN A 72 2.618 -7.835 2.816 1.00 0.31 H new ATOM 0 HB3 ASN A 72 4.210 -7.103 2.808 1.00 0.31 H new ATOM 0 HD21 ASN A 72 5.069 -9.642 5.119 1.00 0.67 H new ATOM 0 HD22 ASN A 72 5.218 -9.026 3.470 1.00 0.67 H new ATOM 1077 N LEU A 73 4.430 -4.251 3.978 1.00 0.23 N ATOM 1078 CA LEU A 73 5.364 -3.329 4.612 1.00 0.25 C ATOM 1079 C LEU A 73 4.662 -2.439 5.611 1.00 0.36 C ATOM 1080 O LEU A 73 5.236 -2.049 6.615 1.00 0.46 O ATOM 1081 CB LEU A 73 6.060 -2.479 3.571 1.00 0.23 C ATOM 1082 CG LEU A 73 7.033 -3.255 2.716 1.00 0.20 C ATOM 1083 CD1 LEU A 73 7.688 -2.350 1.698 1.00 0.35 C ATOM 1084 CD2 LEU A 73 8.052 -3.907 3.624 1.00 0.27 C ATOM 0 H LEU A 73 4.358 -4.142 2.966 1.00 0.23 H new ATOM 0 HA LEU A 73 6.106 -3.925 5.143 1.00 0.25 H new ATOM 0 HB2 LEU A 73 5.310 -2.019 2.928 1.00 0.23 H new ATOM 0 HB3 LEU A 73 6.592 -1.669 4.070 1.00 0.23 H new ATOM 0 HG LEU A 73 6.508 -4.029 2.156 1.00 0.20 H new ATOM 0 HD11 LEU A 73 8.385 -2.929 1.092 1.00 0.35 H new ATOM 0 HD12 LEU A 73 6.924 -1.913 1.055 1.00 0.35 H new ATOM 0 HD13 LEU A 73 8.227 -1.555 2.212 1.00 0.35 H new ATOM 0 HD21 LEU A 73 8.765 -4.473 3.024 1.00 0.27 H new ATOM 0 HD22 LEU A 73 8.582 -3.139 4.187 1.00 0.27 H new ATOM 0 HD23 LEU A 73 7.545 -4.580 4.316 1.00 0.27 H new ATOM 1096 N LEU A 74 3.422 -2.104 5.319 1.00 0.41 N ATOM 1097 CA LEU A 74 2.611 -1.343 6.249 1.00 0.58 C ATOM 1098 C LEU A 74 2.376 -2.158 7.529 1.00 0.66 C ATOM 1099 O LEU A 74 2.030 -1.615 8.565 1.00 0.80 O ATOM 1100 CB LEU A 74 1.285 -0.920 5.607 1.00 0.63 C ATOM 1101 CG LEU A 74 1.362 0.219 4.575 1.00 0.49 C ATOM 1102 CD1 LEU A 74 2.095 -0.221 3.319 1.00 1.08 C ATOM 1103 CD2 LEU A 74 -0.035 0.714 4.220 1.00 0.78 C ATOM 0 H LEU A 74 2.953 -2.346 4.446 1.00 0.41 H new ATOM 0 HA LEU A 74 3.147 -0.432 6.514 1.00 0.58 H new ATOM 0 HB2 LEU A 74 0.846 -1.792 5.123 1.00 0.63 H new ATOM 0 HB3 LEU A 74 0.601 -0.618 6.400 1.00 0.63 H new ATOM 0 HG LEU A 74 1.924 1.037 5.026 1.00 0.49 H new ATOM 0 HD11 LEU A 74 2.132 0.607 2.611 1.00 1.08 H new ATOM 0 HD12 LEU A 74 3.110 -0.523 3.577 1.00 1.08 H new ATOM 0 HD13 LEU A 74 1.570 -1.062 2.867 1.00 1.08 H new ATOM 0 HD21 LEU A 74 0.039 1.519 3.489 1.00 0.78 H new ATOM 0 HD22 LEU A 74 -0.615 -0.107 3.798 1.00 0.78 H new ATOM 0 HD23 LEU A 74 -0.529 1.084 5.118 1.00 0.78 H new ATOM 1115 N LYS A 75 2.543 -3.472 7.437 1.00 0.66 N ATOM 1116 CA LYS A 75 2.517 -4.337 8.620 1.00 0.82 C ATOM 1117 C LYS A 75 3.893 -4.376 9.260 1.00 0.77 C ATOM 1118 O LYS A 75 4.037 -4.257 10.474 1.00 0.95 O ATOM 1119 CB LYS A 75 2.119 -5.770 8.257 1.00 1.04 C ATOM 1120 CG LYS A 75 0.629 -6.053 8.288 1.00 0.81 C ATOM 1121 CD LYS A 75 0.006 -6.048 6.900 1.00 0.71 C ATOM 1122 CE LYS A 75 -0.049 -4.655 6.310 1.00 0.70 C ATOM 1123 NZ LYS A 75 -0.539 -3.665 7.312 1.00 1.93 N ATOM 0 H LYS A 75 2.698 -3.966 6.558 1.00 0.66 H new ATOM 0 HA LYS A 75 1.781 -3.925 9.310 1.00 0.82 H new ATOM 0 HB2 LYS A 75 2.494 -5.993 7.258 1.00 1.04 H new ATOM 0 HB3 LYS A 75 2.617 -6.454 8.944 1.00 1.04 H new ATOM 0 HG2 LYS A 75 0.456 -7.022 8.757 1.00 0.81 H new ATOM 0 HG3 LYS A 75 0.133 -5.306 8.908 1.00 0.81 H new ATOM 0 HD2 LYS A 75 0.582 -6.698 6.242 1.00 0.71 H new ATOM 0 HD3 LYS A 75 -1.002 -6.460 6.953 1.00 0.71 H new ATOM 0 HE2 LYS A 75 0.943 -4.365 5.963 1.00 0.70 H new ATOM 0 HE3 LYS A 75 -0.705 -4.651 5.440 1.00 0.70 H new ATOM 0 HZ1 LYS A 75 -0.728 -2.758 6.840 1.00 1.93 H new ATOM 0 HZ2 LYS A 75 -1.415 -4.017 7.749 1.00 1.93 H new ATOM 0 HZ3 LYS A 75 0.184 -3.529 8.047 1.00 1.93 H new ATOM 1137 N ASN A 76 4.902 -4.538 8.416 1.00 0.64 N ATOM 1138 CA ASN A 76 6.279 -4.672 8.870 1.00 0.69 C ATOM 1139 C ASN A 76 6.900 -3.316 9.164 1.00 0.61 C ATOM 1140 O ASN A 76 8.104 -3.218 9.387 1.00 0.79 O ATOM 1141 CB ASN A 76 7.121 -5.418 7.828 1.00 0.81 C ATOM 1142 CG ASN A 76 6.728 -6.876 7.682 1.00 1.22 C ATOM 1143 OD1 ASN A 76 6.260 -7.509 8.632 1.00 1.80 O ATOM 1144 ND2 ASN A 76 6.916 -7.419 6.491 1.00 2.12 N ATOM 0 H ASN A 76 4.791 -4.580 7.403 1.00 0.64 H new ATOM 0 HA ASN A 76 6.265 -5.249 9.795 1.00 0.69 H new ATOM 0 HB2 ASN A 76 7.019 -4.921 6.863 1.00 0.81 H new ATOM 0 HB3 ASN A 76 8.173 -5.357 8.108 1.00 0.81 H new ATOM 0 HD21 ASN A 76 6.671 -8.396 6.332 1.00 2.12 H new ATOM 0 HD22 ASN A 76 7.306 -6.861 5.732 1.00 2.12 H new ATOM 1151 N THR A 77 6.088 -2.269 9.155 1.00 0.54 N ATOM 1152 CA THR A 77 6.578 -0.955 9.506 1.00 0.60 C ATOM 1153 C THR A 77 6.919 -0.936 10.989 1.00 0.56 C ATOM 1154 O THR A 77 6.083 -1.226 11.848 1.00 0.61 O ATOM 1155 CB THR A 77 5.583 0.171 9.146 1.00 0.75 C ATOM 1156 OG1 THR A 77 6.138 1.442 9.502 1.00 0.94 O ATOM 1157 CG2 THR A 77 4.247 -0.014 9.837 1.00 0.78 C ATOM 0 H THR A 77 5.098 -2.307 8.911 1.00 0.54 H new ATOM 0 HA THR A 77 7.474 -0.757 8.917 1.00 0.60 H new ATOM 0 HB THR A 77 5.411 0.129 8.070 1.00 0.75 H new ATOM 0 HG1 THR A 77 6.408 1.920 8.690 1.00 0.94 H new ATOM 0 HG21 THR A 77 3.577 0.799 9.557 1.00 0.78 H new ATOM 0 HG22 THR A 77 3.810 -0.965 9.535 1.00 0.78 H new ATOM 0 HG23 THR A 77 4.392 -0.009 10.917 1.00 0.78 H new ATOM 1165 N PRO A 78 8.172 -0.609 11.300 1.00 0.63 N ATOM 1166 CA PRO A 78 8.753 -0.862 12.615 1.00 0.67 C ATOM 1167 C PRO A 78 8.105 -0.052 13.737 1.00 0.70 C ATOM 1168 O PRO A 78 7.902 -0.569 14.835 1.00 0.84 O ATOM 1169 CB PRO A 78 10.231 -0.478 12.428 1.00 0.92 C ATOM 1170 CG PRO A 78 10.435 -0.413 10.949 1.00 1.00 C ATOM 1171 CD PRO A 78 9.127 0.044 10.396 1.00 0.84 C ATOM 0 HA PRO A 78 8.603 -1.895 12.927 1.00 0.67 H new ATOM 0 HB2 PRO A 78 10.451 0.480 12.898 1.00 0.92 H new ATOM 0 HB3 PRO A 78 10.890 -1.216 12.884 1.00 0.92 H new ATOM 0 HG2 PRO A 78 11.236 0.280 10.692 1.00 1.00 H new ATOM 0 HG3 PRO A 78 10.715 -1.387 10.546 1.00 1.00 H new ATOM 0 HD2 PRO A 78 9.032 1.130 10.416 1.00 0.84 H new ATOM 0 HD3 PRO A 78 8.989 -0.269 9.361 1.00 0.84 H new ATOM 1179 N SER A 79 7.774 1.206 13.469 1.00 0.75 N ATOM 1180 CA SER A 79 7.249 2.084 14.515 1.00 0.96 C ATOM 1181 C SER A 79 5.784 2.484 14.293 1.00 0.91 C ATOM 1182 O SER A 79 5.246 3.299 15.043 1.00 1.06 O ATOM 1183 CB SER A 79 8.116 3.338 14.614 1.00 1.23 C ATOM 1184 OG SER A 79 9.482 2.995 14.790 1.00 1.49 O ATOM 0 H SER A 79 7.857 1.639 12.549 1.00 0.75 H new ATOM 0 HA SER A 79 7.282 1.520 15.447 1.00 0.96 H new ATOM 0 HB2 SER A 79 8.001 3.937 13.711 1.00 1.23 H new ATOM 0 HB3 SER A 79 7.780 3.952 15.449 1.00 1.23 H new ATOM 0 HG SER A 79 10.019 3.812 14.849 1.00 1.49 H new ATOM 1190 N ILE A 80 5.131 1.924 13.284 1.00 0.76 N ATOM 1191 CA ILE A 80 3.775 2.358 12.946 1.00 0.76 C ATOM 1192 C ILE A 80 2.755 1.251 13.214 1.00 0.74 C ATOM 1193 O ILE A 80 3.009 0.079 12.938 1.00 0.67 O ATOM 1194 CB ILE A 80 3.681 2.820 11.475 1.00 0.69 C ATOM 1195 CG1 ILE A 80 4.714 3.916 11.199 1.00 0.89 C ATOM 1196 CG2 ILE A 80 2.277 3.320 11.155 1.00 0.76 C ATOM 1197 CD1 ILE A 80 4.766 4.355 9.752 1.00 1.21 C ATOM 0 H ILE A 80 5.506 1.182 12.693 1.00 0.76 H new ATOM 0 HA ILE A 80 3.541 3.207 13.588 1.00 0.76 H new ATOM 0 HB ILE A 80 3.894 1.967 10.831 1.00 0.69 H new ATOM 0 HG12 ILE A 80 4.489 4.780 11.823 1.00 0.89 H new ATOM 0 HG13 ILE A 80 5.699 3.557 11.496 1.00 0.89 H new ATOM 0 HG21 ILE A 80 2.233 3.640 10.114 1.00 0.76 H new ATOM 0 HG22 ILE A 80 1.559 2.516 11.318 1.00 0.76 H new ATOM 0 HG23 ILE A 80 2.034 4.161 11.804 1.00 0.76 H new ATOM 0 HD11 ILE A 80 5.520 5.133 9.635 1.00 1.21 H new ATOM 0 HD12 ILE A 80 5.022 3.503 9.122 1.00 1.21 H new ATOM 0 HD13 ILE A 80 3.793 4.746 9.455 1.00 1.21 H new ATOM 1204 N SER A 81 1.609 1.635 13.762 1.00 0.90 N ATOM 1205 CA SER A 81 0.561 0.691 14.125 1.00 1.01 C ATOM 1206 C SER A 81 -0.515 0.595 13.038 1.00 0.88 C ATOM 1207 O SER A 81 -0.730 1.530 12.260 1.00 0.74 O ATOM 1208 CB SER A 81 -0.059 1.121 15.451 1.00 1.26 C ATOM 1209 OG SER A 81 -0.203 2.531 15.505 1.00 1.79 O ATOM 0 H SER A 81 1.381 2.608 13.967 1.00 0.90 H new ATOM 0 HA SER A 81 1.005 -0.299 14.227 1.00 1.01 H new ATOM 0 HB2 SER A 81 -1.033 0.646 15.573 1.00 1.26 H new ATOM 0 HB3 SER A 81 0.567 0.783 16.277 1.00 1.26 H new ATOM 0 HG SER A 81 -0.604 2.786 16.362 1.00 1.79 H new ATOM 1215 N GLU A 82 -1.195 -0.555 13.018 1.00 0.99 N ATOM 1216 CA GLU A 82 -2.130 -0.923 11.953 1.00 0.96 C ATOM 1217 C GLU A 82 -3.292 0.056 11.777 1.00 0.84 C ATOM 1218 O GLU A 82 -3.852 0.129 10.684 1.00 0.75 O ATOM 1219 CB GLU A 82 -2.677 -2.330 12.184 1.00 1.22 C ATOM 1220 CG GLU A 82 -1.700 -3.439 11.817 1.00 1.50 C ATOM 1221 CD GLU A 82 -1.342 -3.444 10.341 1.00 2.29 C ATOM 1222 OE1 GLU A 82 -2.240 -3.680 9.504 1.00 2.89 O ATOM 1223 OE2 GLU A 82 -0.161 -3.227 10.009 1.00 2.75 O ATOM 0 H GLU A 82 -1.111 -1.263 13.748 1.00 0.99 H new ATOM 0 HA GLU A 82 -1.551 -0.887 11.030 1.00 0.96 H new ATOM 0 HB2 GLU A 82 -2.953 -2.434 13.233 1.00 1.22 H new ATOM 0 HB3 GLU A 82 -3.589 -2.455 11.601 1.00 1.22 H new ATOM 0 HG2 GLU A 82 -0.790 -3.325 12.406 1.00 1.50 H new ATOM 0 HG3 GLU A 82 -2.134 -4.402 12.084 1.00 1.50 H new ATOM 1230 N GLU A 83 -3.690 0.770 12.827 1.00 0.90 N ATOM 1231 CA GLU A 83 -4.789 1.731 12.702 1.00 0.87 C ATOM 1232 C GLU A 83 -4.481 2.774 11.634 1.00 0.74 C ATOM 1233 O GLU A 83 -5.335 3.103 10.808 1.00 0.73 O ATOM 1234 CB GLU A 83 -5.092 2.434 14.024 1.00 1.05 C ATOM 1235 CG GLU A 83 -6.236 3.430 13.895 1.00 1.30 C ATOM 1236 CD GLU A 83 -6.473 4.244 15.145 1.00 1.60 C ATOM 1237 OE1 GLU A 83 -5.678 5.165 15.418 1.00 1.98 O ATOM 1238 OE2 GLU A 83 -7.479 3.991 15.837 1.00 2.06 O ATOM 0 H GLU A 83 -3.279 0.706 13.758 1.00 0.90 H new ATOM 0 HA GLU A 83 -5.670 1.160 12.410 1.00 0.87 H new ATOM 0 HB2 GLU A 83 -5.343 1.690 14.780 1.00 1.05 H new ATOM 0 HB3 GLU A 83 -4.198 2.952 14.371 1.00 1.05 H new ATOM 0 HG2 GLU A 83 -6.027 4.106 13.066 1.00 1.30 H new ATOM 0 HG3 GLU A 83 -7.149 2.891 13.644 1.00 1.30 H new ATOM 1245 N GLN A 84 -3.253 3.278 11.642 1.00 0.73 N ATOM 1246 CA GLN A 84 -2.821 4.251 10.646 1.00 0.68 C ATOM 1247 C GLN A 84 -2.763 3.578 9.283 1.00 0.56 C ATOM 1248 O GLN A 84 -2.925 4.209 8.243 1.00 0.59 O ATOM 1249 CB GLN A 84 -1.439 4.804 11.008 1.00 0.76 C ATOM 1250 CG GLN A 84 -1.345 5.337 12.429 1.00 1.11 C ATOM 1251 CD GLN A 84 -2.282 6.497 12.681 1.00 1.60 C ATOM 1252 OE1 GLN A 84 -2.578 7.282 11.780 1.00 2.31 O ATOM 1253 NE2 GLN A 84 -2.763 6.611 13.907 1.00 2.28 N ATOM 0 H GLN A 84 -2.539 3.029 12.327 1.00 0.73 H new ATOM 0 HA GLN A 84 -3.531 5.077 10.620 1.00 0.68 H new ATOM 0 HB2 GLN A 84 -0.697 4.017 10.875 1.00 0.76 H new ATOM 0 HB3 GLN A 84 -1.184 5.603 10.312 1.00 0.76 H new ATOM 0 HG2 GLN A 84 -1.572 4.533 13.130 1.00 1.11 H new ATOM 0 HG3 GLN A 84 -0.321 5.653 12.627 1.00 1.11 H new ATOM 0 HE21 GLN A 84 -2.493 5.939 14.625 1.00 2.28 H new ATOM 0 HE22 GLN A 84 -3.404 7.371 14.135 1.00 2.28 H new ATOM 1262 N ILE A 85 -2.554 2.276 9.325 1.00 0.50 N ATOM 1263 CA ILE A 85 -2.372 1.465 8.137 1.00 0.45 C ATOM 1264 C ILE A 85 -3.694 1.204 7.409 1.00 0.43 C ATOM 1265 O ILE A 85 -3.735 1.202 6.175 1.00 0.43 O ATOM 1266 CB ILE A 85 -1.709 0.129 8.509 1.00 0.46 C ATOM 1267 CG1 ILE A 85 -0.368 0.377 9.207 1.00 0.51 C ATOM 1268 CG2 ILE A 85 -1.521 -0.733 7.281 1.00 0.47 C ATOM 1269 CD1 ILE A 85 0.635 1.131 8.362 1.00 1.41 C ATOM 0 H ILE A 85 -2.505 1.746 10.195 1.00 0.50 H new ATOM 0 HA ILE A 85 -1.726 2.021 7.458 1.00 0.45 H new ATOM 0 HB ILE A 85 -2.364 -0.402 9.199 1.00 0.46 H new ATOM 0 HG12 ILE A 85 -0.546 0.935 10.126 1.00 0.51 H new ATOM 0 HG13 ILE A 85 0.063 -0.582 9.495 1.00 0.51 H new ATOM 0 HG21 ILE A 85 -1.050 -1.674 7.566 1.00 0.47 H new ATOM 0 HG22 ILE A 85 -2.491 -0.935 6.826 1.00 0.47 H new ATOM 0 HG23 ILE A 85 -0.886 -0.212 6.564 1.00 0.47 H new ATOM 0 HD11 ILE A 85 1.558 1.267 8.927 1.00 1.41 H new ATOM 0 HD12 ILE A 85 0.845 0.565 7.454 1.00 1.41 H new ATOM 0 HD13 ILE A 85 0.226 2.106 8.095 1.00 1.41 H new ATOM 1276 N LYS A 86 -4.773 0.976 8.167 1.00 0.47 N ATOM 1277 CA LYS A 86 -6.094 0.765 7.565 1.00 0.50 C ATOM 1278 C LYS A 86 -6.439 1.964 6.727 1.00 0.41 C ATOM 1279 O LYS A 86 -6.940 1.850 5.607 1.00 0.47 O ATOM 1280 CB LYS A 86 -7.203 0.640 8.608 1.00 0.59 C ATOM 1281 CG LYS A 86 -6.782 0.039 9.920 1.00 0.71 C ATOM 1282 CD LYS A 86 -7.832 0.304 10.983 1.00 0.92 C ATOM 1283 CE LYS A 86 -7.693 -0.639 12.165 1.00 1.90 C ATOM 1284 NZ LYS A 86 -8.119 -2.025 11.830 1.00 2.45 N ATOM 0 H LYS A 86 -4.759 0.933 9.186 1.00 0.47 H new ATOM 0 HA LYS A 86 -6.035 -0.159 6.990 1.00 0.50 H new ATOM 0 HB2 LYS A 86 -7.616 1.631 8.796 1.00 0.59 H new ATOM 0 HB3 LYS A 86 -8.007 0.034 8.190 1.00 0.59 H new ATOM 0 HG2 LYS A 86 -6.634 -1.035 9.805 1.00 0.71 H new ATOM 0 HG3 LYS A 86 -5.826 0.461 10.231 1.00 0.71 H new ATOM 0 HD2 LYS A 86 -7.746 1.334 11.329 1.00 0.92 H new ATOM 0 HD3 LYS A 86 -8.825 0.196 10.547 1.00 0.92 H new ATOM 0 HE2 LYS A 86 -6.655 -0.650 12.499 1.00 1.90 H new ATOM 0 HE3 LYS A 86 -8.292 -0.267 12.997 1.00 1.90 H new ATOM 0 HZ1 LYS A 86 -8.251 -2.569 12.706 1.00 2.45 H new ATOM 0 HZ2 LYS A 86 -9.015 -1.995 11.302 1.00 2.45 H new ATOM 0 HZ3 LYS A 86 -7.389 -2.481 11.247 1.00 2.45 H new ATOM 1298 N ASP A 87 -6.150 3.121 7.302 1.00 0.34 N ATOM 1299 CA ASP A 87 -6.500 4.382 6.703 1.00 0.31 C ATOM 1300 C ASP A 87 -5.842 4.505 5.332 1.00 0.29 C ATOM 1301 O ASP A 87 -6.390 5.099 4.404 1.00 0.35 O ATOM 1302 CB ASP A 87 -6.065 5.529 7.622 1.00 0.34 C ATOM 1303 CG ASP A 87 -6.675 6.863 7.241 1.00 1.00 C ATOM 1304 OD1 ASP A 87 -7.860 7.089 7.569 1.00 1.09 O ATOM 1305 OD2 ASP A 87 -5.964 7.703 6.650 1.00 1.70 O ATOM 0 H ASP A 87 -5.666 3.203 8.196 1.00 0.34 H new ATOM 0 HA ASP A 87 -7.581 4.435 6.571 1.00 0.31 H new ATOM 0 HB2 ASP A 87 -6.343 5.289 8.648 1.00 0.34 H new ATOM 0 HB3 ASP A 87 -4.979 5.613 7.598 1.00 0.34 H new ATOM 1310 N ILE A 88 -4.656 3.914 5.223 1.00 0.26 N ATOM 1311 CA ILE A 88 -3.914 3.902 3.978 1.00 0.27 C ATOM 1312 C ILE A 88 -4.545 2.974 2.937 1.00 0.31 C ATOM 1313 O ILE A 88 -5.013 3.433 1.899 1.00 0.36 O ATOM 1314 CB ILE A 88 -2.445 3.487 4.191 1.00 0.28 C ATOM 1315 CG1 ILE A 88 -1.803 4.341 5.286 1.00 0.36 C ATOM 1316 CG2 ILE A 88 -1.672 3.622 2.886 1.00 0.38 C ATOM 1317 CD1 ILE A 88 -0.372 3.960 5.599 1.00 0.42 C ATOM 0 H ILE A 88 -4.189 3.434 5.993 1.00 0.26 H new ATOM 0 HA ILE A 88 -3.948 4.925 3.604 1.00 0.27 H new ATOM 0 HB ILE A 88 -2.416 2.445 4.509 1.00 0.28 H new ATOM 0 HG12 ILE A 88 -1.832 5.387 4.981 1.00 0.36 H new ATOM 0 HG13 ILE A 88 -2.398 4.257 6.195 1.00 0.36 H new ATOM 0 HG21 ILE A 88 -0.635 3.327 3.045 1.00 0.38 H new ATOM 0 HG22 ILE A 88 -2.120 2.978 2.129 1.00 0.38 H new ATOM 0 HG23 ILE A 88 -1.707 4.658 2.548 1.00 0.38 H new ATOM 0 HD11 ILE A 88 0.014 4.610 6.384 1.00 0.42 H new ATOM 0 HD12 ILE A 88 -0.337 2.924 5.935 1.00 0.42 H new ATOM 0 HD13 ILE A 88 0.239 4.072 4.703 1.00 0.42 H new ATOM 1324 N PHE A 89 -4.566 1.665 3.204 1.00 0.33 N ATOM 1325 CA PHE A 89 -4.897 0.714 2.144 1.00 0.41 C ATOM 1326 C PHE A 89 -6.271 0.052 2.282 1.00 0.44 C ATOM 1327 O PHE A 89 -6.799 -0.466 1.300 1.00 0.52 O ATOM 1328 CB PHE A 89 -3.797 -0.356 1.987 1.00 0.45 C ATOM 1329 CG PHE A 89 -3.516 -1.234 3.187 1.00 0.32 C ATOM 1330 CD1 PHE A 89 -2.279 -1.827 3.396 1.00 0.57 C ATOM 1331 CD2 PHE A 89 -4.507 -1.430 4.134 1.00 0.56 C ATOM 1332 CE1 PHE A 89 -2.038 -2.594 4.517 1.00 0.75 C ATOM 1333 CE2 PHE A 89 -4.273 -2.198 5.253 1.00 0.49 C ATOM 1334 CZ PHE A 89 -2.964 -2.913 5.333 1.00 0.51 C ATOM 0 H PHE A 89 -4.365 1.251 4.114 1.00 0.33 H new ATOM 0 HA PHE A 89 -4.951 1.318 1.238 1.00 0.41 H new ATOM 0 HB2 PHE A 89 -4.069 -1.001 1.152 1.00 0.45 H new ATOM 0 HB3 PHE A 89 -2.871 0.148 1.712 1.00 0.45 H new ATOM 0 HD1 PHE A 89 -1.492 -1.686 2.670 1.00 0.57 H new ATOM 0 HD2 PHE A 89 -5.476 -0.975 3.993 1.00 0.56 H new ATOM 0 HE1 PHE A 89 -1.032 -2.935 4.710 1.00 0.75 H new ATOM 0 HE2 PHE A 89 -5.007 -2.280 6.041 1.00 0.49 H new ATOM 0 HZ PHE A 89 -2.805 -3.687 6.069 1.00 0.51 H new ATOM 1344 N TYR A 90 -6.861 0.068 3.466 1.00 0.44 N ATOM 1345 CA TYR A 90 -8.108 -0.658 3.678 1.00 0.53 C ATOM 1346 C TYR A 90 -9.278 0.106 3.073 1.00 0.56 C ATOM 1347 O TYR A 90 -10.226 -0.492 2.560 1.00 0.71 O ATOM 1348 CB TYR A 90 -8.350 -0.924 5.168 1.00 0.56 C ATOM 1349 CG TYR A 90 -9.673 -1.599 5.449 1.00 0.70 C ATOM 1350 CD1 TYR A 90 -10.762 -0.851 5.873 1.00 0.78 C ATOM 1351 CD2 TYR A 90 -9.842 -2.975 5.272 1.00 0.77 C ATOM 1352 CE1 TYR A 90 -11.981 -1.441 6.115 1.00 0.93 C ATOM 1353 CE2 TYR A 90 -11.066 -3.571 5.518 1.00 0.91 C ATOM 1354 CZ TYR A 90 -12.130 -2.798 5.938 1.00 0.96 C ATOM 1355 OH TYR A 90 -13.355 -3.379 6.175 1.00 1.13 O ATOM 0 H TYR A 90 -6.507 0.565 4.283 1.00 0.44 H new ATOM 0 HA TYR A 90 -8.025 -1.622 3.177 1.00 0.53 H new ATOM 0 HB2 TYR A 90 -7.543 -1.547 5.554 1.00 0.56 H new ATOM 0 HB3 TYR A 90 -8.310 0.021 5.710 1.00 0.56 H new ATOM 0 HD1 TYR A 90 -10.651 0.214 6.016 1.00 0.78 H new ATOM 0 HD2 TYR A 90 -9.010 -3.578 4.940 1.00 0.77 H new ATOM 0 HE1 TYR A 90 -12.818 -0.842 6.443 1.00 0.93 H new ATOM 0 HE2 TYR A 90 -11.189 -4.635 5.382 1.00 0.91 H new ATOM 0 HH TYR A 90 -13.299 -4.342 6.004 1.00 1.13 H new ATOM 1365 N ILE A 91 -9.197 1.430 3.121 1.00 0.48 N ATOM 1366 CA ILE A 91 -10.234 2.280 2.547 1.00 0.53 C ATOM 1367 C ILE A 91 -10.220 2.178 1.019 1.00 0.61 C ATOM 1368 O ILE A 91 -11.216 2.467 0.356 1.00 0.86 O ATOM 1369 CB ILE A 91 -10.052 3.755 2.980 1.00 0.50 C ATOM 1370 CG1 ILE A 91 -9.977 3.855 4.508 1.00 0.47 C ATOM 1371 CG2 ILE A 91 -11.186 4.624 2.447 1.00 0.60 C ATOM 1372 CD1 ILE A 91 -9.772 5.266 5.022 1.00 0.51 C ATOM 0 H ILE A 91 -8.425 1.939 3.551 1.00 0.48 H new ATOM 0 HA ILE A 91 -11.197 1.931 2.920 1.00 0.53 H new ATOM 0 HB ILE A 91 -9.116 4.121 2.557 1.00 0.50 H new ATOM 0 HG12 ILE A 91 -10.896 3.454 4.934 1.00 0.47 H new ATOM 0 HG13 ILE A 91 -9.160 3.227 4.864 1.00 0.47 H new ATOM 0 HG21 ILE A 91 -11.034 5.655 2.765 1.00 0.60 H new ATOM 0 HG22 ILE A 91 -11.198 4.578 1.358 1.00 0.60 H new ATOM 0 HG23 ILE A 91 -12.137 4.260 2.836 1.00 0.60 H new ATOM 0 HD11 ILE A 91 -9.729 5.254 6.111 1.00 0.51 H new ATOM 0 HD12 ILE A 91 -8.838 5.665 4.627 1.00 0.51 H new ATOM 0 HD13 ILE A 91 -10.601 5.895 4.698 1.00 0.51 H new