USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 847 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 22 ASN : amide:sc= 0.505 K(o=-0.25,f=-0.94) USER MOD Set 1.2: A 109 SER OG : rot 2:sc= -0.759 USER MOD Set 2.1: A 25 SER OG : rot -164:sc= -0.177 USER MOD Set 2.2: A 28 THR OG1 : rot -99:sc= 1.22 USER MOD Set 3.1: A 12 HIS : no HD1:sc= 0.155 K(o=-3.1,f=-14!) USER MOD Set 3.2: A 66 SER OG : rot -47:sc= 1.19 USER MOD Set 3.3: A 68 CYS SG : rot -110:sc= -2.07! USER MOD Set 3.4: A 70 SER OG : rot 170:sc=-0.00248 USER MOD Set 3.5: A 107 THR OG1 : rot -139:sc= 1.1 USER MOD Set 3.6: A 112 HIS :FLIP no HD1:sc= -3.47! C(o=-6.4!,f=-3.1!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= -0.0184 (180deg=-0.198) USER MOD Single : A 18 SER OG : rot -83:sc= 1.17 USER MOD Single : A 20 SER OG : rot -66:sc= 1.89 USER MOD Single : A 31 SER OG : rot -67:sc= 1.2 USER MOD Single : A 32 THR OG1 : rot -166:sc= -0.461! USER MOD Single : A 36 THR OG1 : rot -80:sc= 1.55 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.085 F(o=-2.5!,f=-0.085) USER MOD Single : A 46 LYS NZ :NH3+ -169:sc=-0.00765 (180deg=-0.138) USER MOD Single : A 48 SER OG : rot -66:sc= 0.0485 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 177:sc= -0.327 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 110:sc= 0.37 USER MOD Single : A 64 GLN : amide:sc= 1.22 K(o=1.2,f=-0.07) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0237 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 41:sc= 0.0196 USER MOD Single : A 85 MET CE :methyl -141:sc= -1.86 (180deg=-2.84) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 165:sc= -0.0135 (180deg=-0.199) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 130:sc= 1 USER MOD Single : A 106 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 7 -19.250 -4.490 -2.457 1.00 0.57 N ATOM 47 CA LYS A 7 -18.293 -3.784 -3.295 1.00 0.51 C ATOM 48 C LYS A 7 -17.540 -2.726 -2.509 1.00 0.42 C ATOM 49 O LYS A 7 -18.063 -2.130 -1.566 1.00 0.60 O ATOM 50 CB LYS A 7 -18.990 -3.146 -4.497 1.00 0.64 C ATOM 51 CG LYS A 7 -19.440 -4.153 -5.539 1.00 0.92 C ATOM 52 CD LYS A 7 -18.261 -4.739 -6.299 1.00 0.87 C ATOM 53 CE LYS A 7 -18.703 -5.856 -7.227 1.00 1.10 C ATOM 54 NZ LYS A 7 -17.588 -6.338 -8.081 1.00 1.19 N ATOM 0 HA LYS A 7 -17.572 -4.518 -3.654 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.856 -2.584 -4.149 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -18.312 -2.431 -4.963 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -19.996 -4.955 -5.054 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -20.122 -3.672 -6.240 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -17.772 -3.955 -6.877 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -17.524 -5.121 -5.593 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -19.094 -6.685 -6.637 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -19.518 -5.503 -7.859 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -17.930 -7.100 -8.700 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -17.232 -5.553 -8.663 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -16.821 -6.699 -7.479 1.00 1.19 H new ATOM 68 N LEU A 8 -16.309 -2.501 -2.921 1.00 0.33 N ATOM 69 CA LEU A 8 -15.412 -1.579 -2.260 1.00 0.26 C ATOM 70 C LEU A 8 -14.395 -1.095 -3.285 1.00 0.22 C ATOM 71 O LEU A 8 -14.109 -1.802 -4.247 1.00 0.22 O ATOM 72 CB LEU A 8 -14.716 -2.313 -1.108 1.00 0.25 C ATOM 73 CG LEU A 8 -14.235 -1.475 0.086 1.00 0.33 C ATOM 74 CD1 LEU A 8 -13.791 -2.402 1.199 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.079 -0.562 -0.285 1.00 0.81 C ATOM 0 H LEU A 8 -15.900 -2.960 -3.735 1.00 0.33 H new ATOM 0 HA LEU A 8 -15.950 -0.722 -1.854 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.402 -3.071 -0.731 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.854 -2.839 -1.518 1.00 0.25 H new ATOM 0 HG LEU A 8 -15.068 -0.850 0.408 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -13.449 -1.812 2.049 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -14.628 -3.029 1.506 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -12.976 -3.033 0.844 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -12.772 0.011 0.590 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -12.240 -1.162 -0.638 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -13.394 0.121 -1.074 1.00 0.81 H new ATOM 87 N ARG A 9 -13.885 0.104 -3.104 1.00 0.24 N ATOM 88 CA ARG A 9 -12.807 0.615 -3.935 1.00 0.23 C ATOM 89 C ARG A 9 -11.771 1.268 -3.041 1.00 0.20 C ATOM 90 O ARG A 9 -12.129 2.056 -2.164 1.00 0.21 O ATOM 91 CB ARG A 9 -13.331 1.626 -4.956 1.00 0.25 C ATOM 92 CG ARG A 9 -12.224 2.301 -5.743 1.00 0.26 C ATOM 93 CD ARG A 9 -12.761 3.344 -6.701 1.00 0.34 C ATOM 94 NE ARG A 9 -11.682 4.121 -7.303 1.00 0.49 N ATOM 95 CZ ARG A 9 -11.853 5.300 -7.897 1.00 0.81 C ATOM 96 NH1 ARG A 9 -13.053 5.865 -7.943 1.00 1.06 N ATOM 97 NH2 ARG A 9 -10.815 5.919 -8.433 1.00 0.98 N ATOM 0 H ARG A 9 -14.201 0.752 -2.382 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.359 -0.212 -4.486 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -14.004 1.120 -5.648 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -13.917 2.386 -4.439 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.523 2.770 -5.053 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.666 1.549 -6.302 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.341 2.856 -7.485 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.440 4.012 -6.171 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.738 3.737 -7.266 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -13.854 5.396 -7.521 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -13.174 6.769 -8.400 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -9.889 5.493 -8.390 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -10.940 6.823 -8.889 1.00 0.98 H new ATOM 111 N ALA A 10 -10.500 0.943 -3.230 1.00 0.20 N ATOM 112 CA ALA A 10 -9.477 1.468 -2.347 1.00 0.17 C ATOM 113 C ALA A 10 -8.139 1.657 -3.057 1.00 0.16 C ATOM 114 O ALA A 10 -7.816 0.948 -4.008 1.00 0.17 O ATOM 115 CB ALA A 10 -9.318 0.547 -1.143 1.00 0.22 C ATOM 0 H ALA A 10 -10.160 0.331 -3.972 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.799 2.455 -2.014 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.549 0.944 -0.481 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.264 0.485 -0.605 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -9.028 -0.448 -1.482 1.00 0.22 H new ATOM 121 N ALA A 11 -7.374 2.627 -2.576 1.00 0.17 N ATOM 122 CA ALA A 11 -6.051 2.920 -3.105 1.00 0.18 C ATOM 123 C ALA A 11 -5.004 2.393 -2.141 1.00 0.17 C ATOM 124 O ALA A 11 -5.108 2.609 -0.936 1.00 0.19 O ATOM 125 CB ALA A 11 -5.878 4.422 -3.320 1.00 0.20 C ATOM 0 H ALA A 11 -7.655 3.234 -1.806 1.00 0.17 H new ATOM 0 HA ALA A 11 -5.931 2.430 -4.071 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.882 4.621 -3.716 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.627 4.777 -4.028 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -6.001 4.942 -2.370 1.00 0.20 H new ATOM 131 N HIS A 12 -4.001 1.703 -2.658 1.00 0.16 N ATOM 132 CA HIS A 12 -3.043 1.029 -1.793 1.00 0.16 C ATOM 133 C HIS A 12 -1.609 1.240 -2.267 1.00 0.15 C ATOM 134 O HIS A 12 -1.357 1.460 -3.450 1.00 0.19 O ATOM 135 CB HIS A 12 -3.353 -0.470 -1.724 1.00 0.17 C ATOM 136 CG HIS A 12 -2.876 -1.259 -2.907 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.516 -1.269 -4.122 1.00 0.23 N ATOM 138 CD2 HIS A 12 -1.806 -2.074 -3.044 1.00 0.22 C ATOM 139 CE1 HIS A 12 -2.858 -2.056 -4.952 1.00 0.23 C ATOM 140 NE2 HIS A 12 -1.817 -2.557 -4.324 1.00 0.21 N ATOM 0 H HIS A 12 -3.829 1.594 -3.657 1.00 0.16 H new ATOM 0 HA HIS A 12 -3.136 1.465 -0.798 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.899 -0.881 -0.822 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.431 -0.601 -1.626 1.00 0.17 H new ATOM 0 HD2 HIS A 12 -1.076 -2.302 -2.282 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -3.130 -2.256 -5.978 1.00 0.23 H new ATOM 0 HE2 HIS A 12 -1.132 -3.198 -4.724 1.00 0.21 H new ATOM 149 N LEU A 13 -0.677 1.142 -1.333 1.00 0.15 N ATOM 150 CA LEU A 13 0.739 1.275 -1.637 1.00 0.14 C ATOM 151 C LEU A 13 1.459 0.020 -1.153 1.00 0.16 C ATOM 152 O LEU A 13 1.022 -0.613 -0.192 1.00 0.24 O ATOM 153 CB LEU A 13 1.300 2.543 -0.966 1.00 0.15 C ATOM 154 CG LEU A 13 2.623 3.084 -1.530 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.743 4.576 -1.259 1.00 0.16 C ATOM 156 CD2 LEU A 13 3.817 2.358 -0.929 1.00 0.18 C ATOM 0 H LEU A 13 -0.879 0.969 -0.348 1.00 0.15 H new ATOM 0 HA LEU A 13 0.893 1.376 -2.711 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.549 3.330 -1.040 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.440 2.335 0.095 1.00 0.15 H new ATOM 0 HG LEU A 13 2.620 2.911 -2.606 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.685 4.945 -1.664 1.00 0.16 H new ATOM 0 HD12 LEU A 13 1.914 5.100 -1.734 1.00 0.16 H new ATOM 0 HD13 LEU A 13 2.716 4.754 -0.184 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.738 2.763 -1.348 1.00 0.18 H new ATOM 0 HD22 LEU A 13 3.819 2.495 0.152 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.750 1.295 -1.160 1.00 0.18 H new ATOM 168 N LEU A 14 2.528 -0.355 -1.837 1.00 0.13 N ATOM 169 CA LEU A 14 3.299 -1.538 -1.477 1.00 0.14 C ATOM 170 C LEU A 14 4.780 -1.207 -1.424 1.00 0.16 C ATOM 171 O LEU A 14 5.291 -0.512 -2.293 1.00 0.27 O ATOM 172 CB LEU A 14 3.054 -2.664 -2.490 1.00 0.16 C ATOM 173 CG LEU A 14 4.019 -3.860 -2.419 1.00 0.20 C ATOM 174 CD1 LEU A 14 3.993 -4.529 -1.052 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.679 -4.874 -3.490 1.00 0.27 C ATOM 0 H LEU A 14 2.885 0.146 -2.651 1.00 0.13 H new ATOM 0 HA LEU A 14 2.975 -1.872 -0.491 1.00 0.14 H new ATOM 0 HB2 LEU A 14 2.038 -3.034 -2.352 1.00 0.16 H new ATOM 0 HB3 LEU A 14 3.106 -2.240 -3.493 1.00 0.16 H new ATOM 0 HG LEU A 14 5.025 -3.476 -2.586 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.688 -5.368 -1.044 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.286 -3.808 -0.289 1.00 0.18 H new ATOM 0 HD13 LEU A 14 2.986 -4.890 -0.843 1.00 0.18 H new ATOM 0 HD21 LEU A 14 4.370 -5.715 -3.428 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.660 -5.231 -3.343 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.762 -4.408 -4.472 1.00 0.27 H new ATOM 187 N VAL A 15 5.450 -1.685 -0.394 1.00 0.13 N ATOM 188 CA VAL A 15 6.895 -1.577 -0.306 1.00 0.13 C ATOM 189 C VAL A 15 7.507 -2.970 -0.196 1.00 0.13 C ATOM 190 O VAL A 15 7.080 -3.783 0.627 1.00 0.15 O ATOM 191 CB VAL A 15 7.342 -0.711 0.898 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.857 -0.606 0.958 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.722 0.676 0.823 1.00 0.15 C ATOM 0 H VAL A 15 5.014 -2.155 0.399 1.00 0.13 H new ATOM 0 HA VAL A 15 7.246 -1.084 -1.213 1.00 0.13 H new ATOM 0 HB VAL A 15 6.994 -1.199 1.809 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.146 0.007 1.812 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.287 -1.602 1.064 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.227 -0.148 0.041 1.00 0.13 H new ATOM 0 HG21 VAL A 15 7.049 1.267 1.678 1.00 0.15 H new ATOM 0 HG22 VAL A 15 7.036 1.166 -0.099 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.635 0.590 0.836 1.00 0.15 H new ATOM 203 N LYS A 16 8.481 -3.243 -1.045 1.00 0.15 N ATOM 204 CA LYS A 16 9.191 -4.510 -1.040 1.00 0.17 C ATOM 205 C LYS A 16 10.558 -4.331 -0.400 1.00 0.16 C ATOM 206 O LYS A 16 11.170 -3.268 -0.511 1.00 0.24 O ATOM 207 CB LYS A 16 9.373 -5.023 -2.472 1.00 0.23 C ATOM 208 CG LYS A 16 8.083 -5.418 -3.167 1.00 0.26 C ATOM 209 CD LYS A 16 7.895 -6.922 -3.165 1.00 0.37 C ATOM 210 CE LYS A 16 6.590 -7.323 -3.835 1.00 0.48 C ATOM 211 NZ LYS A 16 6.515 -6.877 -5.254 1.00 0.62 N ATOM 0 H LYS A 16 8.803 -2.591 -1.760 1.00 0.15 H new ATOM 0 HA LYS A 16 8.607 -5.233 -0.470 1.00 0.17 H new ATOM 0 HB2 LYS A 16 9.867 -4.250 -3.061 1.00 0.23 H new ATOM 0 HB3 LYS A 16 10.040 -5.885 -2.454 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.238 -4.943 -2.668 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.094 -5.052 -4.194 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.730 -7.395 -3.682 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.906 -7.289 -2.139 1.00 0.37 H new ATOM 0 HE2 LYS A 16 6.482 -8.407 -3.792 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.755 -6.897 -3.279 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 5.701 -7.329 -5.717 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 6.403 -5.844 -5.288 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 7.389 -7.147 -5.749 1.00 0.62 H new ATOM 225 N PHE A 17 11.037 -5.375 0.250 1.00 0.17 N ATOM 226 CA PHE A 17 12.319 -5.326 0.936 1.00 0.17 C ATOM 227 C PHE A 17 13.043 -6.659 0.818 1.00 0.19 C ATOM 228 O PHE A 17 12.446 -7.664 0.436 1.00 0.21 O ATOM 229 CB PHE A 17 12.149 -4.917 2.406 1.00 0.17 C ATOM 230 CG PHE A 17 11.322 -5.851 3.249 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.903 -6.938 3.884 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.968 -5.620 3.433 1.00 0.20 C ATOM 233 CE1 PHE A 17 11.150 -7.779 4.680 1.00 0.23 C ATOM 234 CE2 PHE A 17 9.211 -6.454 4.232 1.00 0.23 C ATOM 235 CZ PHE A 17 9.802 -7.535 4.856 1.00 0.25 C ATOM 0 H PHE A 17 10.557 -6.272 0.319 1.00 0.17 H new ATOM 0 HA PHE A 17 12.930 -4.564 0.452 1.00 0.17 H new ATOM 0 HB2 PHE A 17 13.138 -4.828 2.857 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.694 -3.927 2.439 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.958 -7.130 3.755 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.499 -4.778 2.946 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.614 -8.626 5.164 1.00 0.23 H new ATOM 0 HE2 PHE A 17 8.157 -6.261 4.369 1.00 0.23 H new ATOM 0 HZ PHE A 17 9.211 -8.189 5.481 1.00 0.25 H new ATOM 245 N SER A 18 14.338 -6.643 1.078 1.00 0.22 N ATOM 246 CA SER A 18 15.153 -7.846 1.033 1.00 0.26 C ATOM 247 C SER A 18 14.514 -8.987 1.829 1.00 0.30 C ATOM 248 O SER A 18 14.396 -8.917 3.052 1.00 0.30 O ATOM 249 CB SER A 18 16.556 -7.537 1.567 1.00 0.29 C ATOM 250 OG SER A 18 16.505 -6.866 2.819 1.00 1.04 O ATOM 0 H SER A 18 14.854 -5.799 1.326 1.00 0.22 H new ATOM 0 HA SER A 18 15.225 -8.173 -0.004 1.00 0.26 H new ATOM 0 HB2 SER A 18 17.117 -8.465 1.674 1.00 0.29 H new ATOM 0 HB3 SER A 18 17.093 -6.921 0.845 1.00 0.29 H new ATOM 0 HG SER A 18 16.375 -5.906 2.671 1.00 1.04 H new ATOM 256 N GLY A 19 14.078 -10.023 1.121 1.00 0.35 N ATOM 257 CA GLY A 19 13.483 -11.170 1.778 1.00 0.45 C ATOM 258 C GLY A 19 11.966 -11.121 1.829 1.00 0.42 C ATOM 259 O GLY A 19 11.340 -11.955 2.484 1.00 0.53 O ATOM 0 H GLY A 19 14.126 -10.088 0.104 1.00 0.35 H new ATOM 0 HA2 GLY A 19 13.792 -12.077 1.258 1.00 0.45 H new ATOM 0 HA3 GLY A 19 13.871 -11.238 2.795 1.00 0.45 H new ATOM 263 N SER A 20 11.357 -10.163 1.136 1.00 0.34 N ATOM 264 CA SER A 20 9.901 -10.021 1.177 1.00 0.41 C ATOM 265 C SER A 20 9.241 -10.827 0.061 1.00 0.40 C ATOM 266 O SER A 20 8.336 -10.341 -0.620 1.00 0.45 O ATOM 267 CB SER A 20 9.493 -8.549 1.082 1.00 0.51 C ATOM 268 OG SER A 20 9.979 -7.955 -0.109 1.00 0.70 O ATOM 0 H SER A 20 11.838 -9.482 0.548 1.00 0.34 H new ATOM 0 HA SER A 20 9.556 -10.413 2.134 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.406 -8.468 1.114 1.00 0.51 H new ATOM 0 HB3 SER A 20 9.879 -8.006 1.945 1.00 0.51 H new ATOM 0 HG SER A 20 10.958 -7.920 -0.081 1.00 0.70 H new ATOM 274 N ARG A 21 9.728 -12.053 -0.133 1.00 0.43 N ATOM 275 CA ARG A 21 9.190 -12.987 -1.126 1.00 0.49 C ATOM 276 C ARG A 21 9.577 -12.574 -2.550 1.00 0.51 C ATOM 277 O ARG A 21 9.770 -13.421 -3.418 1.00 0.60 O ATOM 278 CB ARG A 21 7.669 -13.106 -0.982 1.00 0.58 C ATOM 279 CG ARG A 21 7.047 -14.199 -1.828 1.00 1.25 C ATOM 280 CD ARG A 21 5.580 -14.375 -1.487 1.00 1.25 C ATOM 281 NE ARG A 21 4.956 -15.442 -2.263 1.00 2.28 N ATOM 282 CZ ARG A 21 3.709 -15.869 -2.074 1.00 2.47 C ATOM 283 NH1 ARG A 21 2.946 -15.313 -1.139 1.00 1.89 N ATOM 284 NH2 ARG A 21 3.226 -16.857 -2.818 1.00 3.49 N ATOM 0 H ARG A 21 10.513 -12.430 0.398 1.00 0.43 H new ATOM 0 HA ARG A 21 9.630 -13.966 -0.940 1.00 0.49 H new ATOM 0 HB2 ARG A 21 7.428 -13.291 0.065 1.00 0.58 H new ATOM 0 HB3 ARG A 21 7.214 -12.152 -1.250 1.00 0.58 H new ATOM 0 HG2 ARG A 21 7.152 -13.952 -2.884 1.00 1.25 H new ATOM 0 HG3 ARG A 21 7.578 -15.137 -1.666 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.480 -14.595 -0.424 1.00 1.25 H new ATOM 0 HD3 ARG A 21 5.052 -13.439 -1.670 1.00 1.25 H new ATOM 0 HE ARG A 21 5.509 -15.888 -2.995 1.00 2.28 H new ATOM 0 HH11 ARG A 21 3.315 -14.556 -0.563 1.00 1.89 H new ATOM 0 HH12 ARG A 21 1.991 -15.643 -0.997 1.00 1.89 H new ATOM 0 HH21 ARG A 21 3.810 -17.289 -3.534 1.00 3.49 H new ATOM 0 HH22 ARG A 21 2.271 -17.184 -2.673 1.00 3.49 H new ATOM 298 N ASN A 22 9.684 -11.275 -2.782 1.00 0.51 N ATOM 299 CA ASN A 22 10.134 -10.747 -4.063 1.00 0.62 C ATOM 300 C ASN A 22 11.139 -9.629 -3.819 1.00 0.58 C ATOM 301 O ASN A 22 10.753 -8.502 -3.510 1.00 0.64 O ATOM 302 CB ASN A 22 8.957 -10.203 -4.885 1.00 0.87 C ATOM 303 CG ASN A 22 7.922 -11.257 -5.229 1.00 0.93 C ATOM 304 OD1 ASN A 22 8.032 -11.948 -6.244 1.00 1.77 O ATOM 305 ND2 ASN A 22 6.892 -11.371 -4.401 1.00 0.80 N ATOM 0 H ASN A 22 9.462 -10.558 -2.091 1.00 0.51 H new ATOM 0 HA ASN A 22 10.598 -11.557 -4.626 1.00 0.62 H new ATOM 0 HB2 ASN A 22 8.475 -9.400 -4.327 1.00 0.87 H new ATOM 0 HB3 ASN A 22 9.339 -9.766 -5.807 1.00 0.87 H new ATOM 0 HD21 ASN A 22 6.155 -12.049 -4.594 1.00 0.80 H new ATOM 0 HD22 ASN A 22 6.837 -10.781 -3.571 1.00 0.80 H new ATOM 312 N PRO A 23 12.443 -9.910 -3.950 1.00 0.55 N ATOM 313 CA PRO A 23 13.486 -8.936 -3.648 1.00 0.61 C ATOM 314 C PRO A 23 13.748 -7.969 -4.808 1.00 0.79 C ATOM 315 O PRO A 23 14.891 -7.626 -5.103 1.00 1.71 O ATOM 316 CB PRO A 23 14.705 -9.805 -3.398 1.00 0.66 C ATOM 317 CG PRO A 23 14.502 -10.999 -4.273 1.00 0.73 C ATOM 318 CD PRO A 23 13.012 -11.193 -4.407 1.00 0.57 C ATOM 0 HA PRO A 23 13.214 -8.296 -2.809 1.00 0.61 H new ATOM 0 HB2 PRO A 23 15.625 -9.279 -3.652 1.00 0.66 H new ATOM 0 HB3 PRO A 23 14.780 -10.090 -2.349 1.00 0.66 H new ATOM 0 HG2 PRO A 23 14.961 -10.845 -5.250 1.00 0.73 H new ATOM 0 HG3 PRO A 23 14.969 -11.882 -3.837 1.00 0.73 H new ATOM 0 HD2 PRO A 23 12.729 -11.411 -5.437 1.00 0.57 H new ATOM 0 HD3 PRO A 23 12.661 -12.025 -3.797 1.00 0.57 H new ATOM 326 N VAL A 24 12.676 -7.526 -5.439 1.00 0.39 N ATOM 327 CA VAL A 24 12.729 -6.561 -6.531 1.00 0.36 C ATOM 328 C VAL A 24 11.555 -5.609 -6.394 1.00 0.32 C ATOM 329 O VAL A 24 10.400 -6.029 -6.450 1.00 0.35 O ATOM 330 CB VAL A 24 12.665 -7.224 -7.928 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.695 -6.167 -9.029 1.00 0.43 C ATOM 332 CG2 VAL A 24 13.800 -8.222 -8.117 1.00 0.48 C ATOM 0 H VAL A 24 11.730 -7.828 -5.207 1.00 0.39 H new ATOM 0 HA VAL A 24 13.685 -6.041 -6.460 1.00 0.36 H new ATOM 0 HB VAL A 24 11.723 -7.768 -7.995 1.00 0.42 H new ATOM 0 HG11 VAL A 24 12.649 -6.655 -10.003 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.840 -5.500 -8.916 1.00 0.43 H new ATOM 0 HG13 VAL A 24 13.617 -5.591 -8.955 1.00 0.43 H new ATOM 0 HG21 VAL A 24 13.728 -8.671 -9.108 1.00 0.48 H new ATOM 0 HG22 VAL A 24 14.756 -7.708 -8.020 1.00 0.48 H new ATOM 0 HG23 VAL A 24 13.729 -9.002 -7.359 1.00 0.48 H new ATOM 342 N SER A 25 11.842 -4.341 -6.185 1.00 0.32 N ATOM 343 CA SER A 25 10.798 -3.363 -5.987 1.00 0.32 C ATOM 344 C SER A 25 10.608 -2.531 -7.248 1.00 0.32 C ATOM 345 O SER A 25 11.528 -2.403 -8.052 1.00 0.36 O ATOM 346 CB SER A 25 11.167 -2.485 -4.790 1.00 0.42 C ATOM 347 OG SER A 25 12.487 -1.990 -4.901 1.00 1.12 O ATOM 0 H SER A 25 12.790 -3.966 -6.148 1.00 0.32 H new ATOM 0 HA SER A 25 9.851 -3.863 -5.781 1.00 0.32 H new ATOM 0 HB2 SER A 25 10.469 -1.651 -4.720 1.00 0.42 H new ATOM 0 HB3 SER A 25 11.069 -3.061 -3.870 1.00 0.42 H new ATOM 0 HG SER A 25 12.784 -1.653 -4.030 1.00 1.12 H new ATOM 353 N ARG A 26 9.413 -1.977 -7.424 1.00 0.32 N ATOM 354 CA ARG A 26 9.153 -1.046 -8.514 1.00 0.34 C ATOM 355 C ARG A 26 9.911 0.238 -8.246 1.00 0.37 C ATOM 356 O ARG A 26 10.225 1.003 -9.157 1.00 0.44 O ATOM 357 CB ARG A 26 7.659 -0.742 -8.636 1.00 0.39 C ATOM 358 CG ARG A 26 6.808 -1.967 -8.919 1.00 0.52 C ATOM 359 CD ARG A 26 7.196 -2.626 -10.228 1.00 0.82 C ATOM 360 NE ARG A 26 6.421 -3.837 -10.478 1.00 1.21 N ATOM 361 CZ ARG A 26 6.492 -4.544 -11.602 1.00 1.88 C ATOM 362 NH1 ARG A 26 7.297 -4.158 -12.583 1.00 2.47 N ATOM 363 NH2 ARG A 26 5.764 -5.642 -11.742 1.00 2.54 N ATOM 0 H ARG A 26 8.608 -2.158 -6.824 1.00 0.32 H new ATOM 0 HA ARG A 26 9.483 -1.497 -9.450 1.00 0.34 H new ATOM 0 HB2 ARG A 26 7.315 -0.277 -7.712 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.509 -0.014 -9.434 1.00 0.39 H new ATOM 0 HG2 ARG A 26 6.917 -2.683 -8.104 1.00 0.52 H new ATOM 0 HG3 ARG A 26 5.757 -1.681 -8.953 1.00 0.52 H new ATOM 0 HD2 ARG A 26 7.045 -1.923 -11.047 1.00 0.82 H new ATOM 0 HD3 ARG A 26 8.258 -2.872 -10.210 1.00 0.82 H new ATOM 0 HE ARG A 26 5.787 -4.160 -9.747 1.00 1.21 H new ATOM 0 HH11 ARG A 26 7.864 -3.317 -12.476 1.00 2.47 H new ATOM 0 HH12 ARG A 26 7.349 -4.702 -13.444 1.00 2.47 H new ATOM 0 HH21 ARG A 26 5.149 -5.946 -10.987 1.00 2.54 H new ATOM 0 HH22 ARG A 26 5.819 -6.184 -12.604 1.00 2.54 H new ATOM 377 N ARG A 27 10.210 0.440 -6.971 1.00 0.36 N ATOM 378 CA ARG A 27 10.917 1.616 -6.505 1.00 0.44 C ATOM 379 C ARG A 27 12.375 1.572 -6.951 1.00 0.53 C ATOM 380 O ARG A 27 12.981 2.609 -7.223 1.00 0.73 O ATOM 381 CB ARG A 27 10.815 1.689 -4.977 1.00 0.52 C ATOM 382 CG ARG A 27 10.903 3.097 -4.412 1.00 0.55 C ATOM 383 CD ARG A 27 12.336 3.546 -4.176 1.00 0.70 C ATOM 384 NE ARG A 27 12.999 2.747 -3.148 1.00 0.91 N ATOM 385 CZ ARG A 27 14.321 2.619 -3.035 1.00 1.12 C ATOM 386 NH1 ARG A 27 15.128 3.220 -3.900 1.00 1.77 N ATOM 387 NH2 ARG A 27 14.831 1.886 -2.054 1.00 1.63 N ATOM 0 H ARG A 27 9.965 -0.215 -6.228 1.00 0.36 H new ATOM 0 HA ARG A 27 10.465 2.509 -6.936 1.00 0.44 H new ATOM 0 HB2 ARG A 27 9.870 1.243 -4.666 1.00 0.52 H new ATOM 0 HB3 ARG A 27 11.611 1.085 -4.542 1.00 0.52 H new ATOM 0 HG2 ARG A 27 10.418 3.791 -5.099 1.00 0.55 H new ATOM 0 HG3 ARG A 27 10.353 3.142 -3.472 1.00 0.55 H new ATOM 0 HD2 ARG A 27 12.896 3.474 -5.108 1.00 0.70 H new ATOM 0 HD3 ARG A 27 12.343 4.595 -3.880 1.00 0.70 H new ATOM 0 HE ARG A 27 12.413 2.256 -2.473 1.00 0.91 H new ATOM 0 HH11 ARG A 27 14.737 3.783 -4.656 1.00 1.77 H new ATOM 0 HH12 ARG A 27 16.139 3.119 -3.809 1.00 1.77 H new ATOM 0 HH21 ARG A 27 14.212 1.422 -1.389 1.00 1.63 H new ATOM 0 HH22 ARG A 27 15.842 1.786 -1.965 1.00 1.63 H new ATOM 401 N THR A 28 12.936 0.371 -7.033 1.00 0.45 N ATOM 402 CA THR A 28 14.310 0.218 -7.483 1.00 0.53 C ATOM 403 C THR A 28 14.356 -0.202 -8.942 1.00 0.55 C ATOM 404 O THR A 28 15.232 0.212 -9.702 1.00 0.67 O ATOM 405 CB THR A 28 15.054 -0.841 -6.650 1.00 0.55 C ATOM 406 OG1 THR A 28 14.372 -2.100 -6.752 1.00 0.55 O ATOM 407 CG2 THR A 28 15.125 -0.430 -5.193 1.00 0.53 C ATOM 0 H THR A 28 12.464 -0.502 -6.796 1.00 0.45 H new ATOM 0 HA THR A 28 14.796 1.186 -7.359 1.00 0.53 H new ATOM 0 HB THR A 28 16.068 -0.932 -7.038 1.00 0.55 H new ATOM 0 HG1 THR A 28 13.809 -2.232 -5.961 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.655 -1.194 -4.625 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.655 0.519 -5.108 1.00 0.53 H new ATOM 0 HG23 THR A 28 14.116 -0.318 -4.797 1.00 0.53 H new ATOM 415 N GLY A 29 13.380 -1.017 -9.319 1.00 0.47 N ATOM 416 CA GLY A 29 13.295 -1.532 -10.675 1.00 0.52 C ATOM 417 C GLY A 29 14.449 -2.450 -11.014 1.00 0.58 C ATOM 418 O GLY A 29 14.726 -2.715 -12.185 1.00 0.82 O ATOM 0 H GLY A 29 12.634 -1.336 -8.700 1.00 0.47 H new ATOM 0 HA2 GLY A 29 12.356 -2.072 -10.798 1.00 0.52 H new ATOM 0 HA3 GLY A 29 13.278 -0.699 -11.377 1.00 0.52 H new ATOM 422 N ASP A 30 15.116 -2.939 -9.981 1.00 0.53 N ATOM 423 CA ASP A 30 16.257 -3.826 -10.144 1.00 0.58 C ATOM 424 C ASP A 30 16.235 -4.896 -9.064 1.00 0.55 C ATOM 425 O ASP A 30 15.953 -6.060 -9.335 1.00 0.84 O ATOM 426 CB ASP A 30 17.562 -3.030 -10.076 1.00 0.67 C ATOM 427 CG ASP A 30 18.790 -3.915 -10.140 1.00 1.31 C ATOM 428 OD1 ASP A 30 19.235 -4.242 -11.257 1.00 1.69 O ATOM 429 OD2 ASP A 30 19.316 -4.285 -9.070 1.00 2.10 O ATOM 0 H ASP A 30 14.883 -2.733 -9.009 1.00 0.53 H new ATOM 0 HA ASP A 30 16.196 -4.306 -11.121 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.591 -2.316 -10.899 1.00 0.67 H new ATOM 0 HB3 ASP A 30 17.583 -2.453 -9.152 1.00 0.67 H new ATOM 434 N SER A 31 16.534 -4.489 -7.842 1.00 0.53 N ATOM 435 CA SER A 31 16.415 -5.361 -6.692 1.00 0.50 C ATOM 436 C SER A 31 16.219 -4.539 -5.432 1.00 0.42 C ATOM 437 O SER A 31 16.707 -3.414 -5.334 1.00 0.48 O ATOM 438 CB SER A 31 17.640 -6.267 -6.555 1.00 0.62 C ATOM 439 OG SER A 31 18.845 -5.545 -6.757 1.00 1.08 O ATOM 0 H SER A 31 16.864 -3.549 -7.622 1.00 0.53 H new ATOM 0 HA SER A 31 15.543 -5.999 -6.838 1.00 0.50 H new ATOM 0 HB2 SER A 31 17.649 -6.722 -5.564 1.00 0.62 H new ATOM 0 HB3 SER A 31 17.576 -7.080 -7.278 1.00 0.62 H new ATOM 0 HG SER A 31 18.896 -5.248 -7.689 1.00 1.08 H new ATOM 445 N THR A 32 15.495 -5.095 -4.481 1.00 0.34 N ATOM 446 CA THR A 32 15.275 -4.421 -3.213 1.00 0.29 C ATOM 447 C THR A 32 15.970 -5.203 -2.101 1.00 0.27 C ATOM 448 O THR A 32 15.645 -5.084 -0.921 1.00 0.28 O ATOM 449 CB THR A 32 13.764 -4.252 -2.925 1.00 0.27 C ATOM 450 OG1 THR A 32 13.555 -3.404 -1.796 1.00 0.27 O ATOM 451 CG2 THR A 32 13.090 -5.593 -2.688 1.00 0.29 C ATOM 0 H THR A 32 15.049 -6.009 -4.560 1.00 0.34 H new ATOM 0 HA THR A 32 15.702 -3.419 -3.261 1.00 0.29 H new ATOM 0 HB THR A 32 13.317 -3.792 -3.806 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.627 -3.488 -1.491 1.00 0.27 H new ATOM 0 HG21 THR A 32 12.030 -5.437 -2.489 1.00 0.29 H new ATOM 0 HG22 THR A 32 13.205 -6.219 -3.573 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.551 -6.086 -1.832 1.00 0.29 H new ATOM 459 N ALA A 33 16.964 -5.983 -2.504 1.00 0.31 N ATOM 460 CA ALA A 33 17.706 -6.841 -1.592 1.00 0.32 C ATOM 461 C ALA A 33 18.636 -6.033 -0.685 1.00 0.34 C ATOM 462 O ALA A 33 19.252 -6.574 0.235 1.00 0.37 O ATOM 463 CB ALA A 33 18.495 -7.866 -2.388 1.00 0.37 C ATOM 0 H ALA A 33 17.278 -6.038 -3.473 1.00 0.31 H new ATOM 0 HA ALA A 33 16.992 -7.353 -0.947 1.00 0.32 H new ATOM 0 HB1 ALA A 33 19.050 -8.508 -1.705 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.810 -8.473 -2.980 1.00 0.37 H new ATOM 0 HB3 ALA A 33 19.192 -7.354 -3.051 1.00 0.37 H new ATOM 469 N ASP A 34 18.727 -4.740 -0.947 1.00 0.35 N ATOM 470 CA ASP A 34 19.595 -3.854 -0.177 1.00 0.40 C ATOM 471 C ASP A 34 18.815 -3.143 0.928 1.00 0.36 C ATOM 472 O ASP A 34 19.381 -2.726 1.939 1.00 0.43 O ATOM 473 CB ASP A 34 20.246 -2.831 -1.108 1.00 0.49 C ATOM 474 CG ASP A 34 21.267 -1.962 -0.406 1.00 1.29 C ATOM 475 OD1 ASP A 34 22.284 -2.503 0.073 1.00 1.31 O ATOM 476 OD2 ASP A 34 21.040 -0.738 -0.300 1.00 2.21 O ATOM 0 H ASP A 34 18.208 -4.275 -1.692 1.00 0.35 H new ATOM 0 HA ASP A 34 20.371 -4.457 0.295 1.00 0.40 H new ATOM 0 HB2 ASP A 34 20.728 -3.354 -1.934 1.00 0.49 H new ATOM 0 HB3 ASP A 34 19.472 -2.197 -1.540 1.00 0.49 H new ATOM 481 N VAL A 35 17.510 -3.019 0.738 1.00 0.31 N ATOM 482 CA VAL A 35 16.649 -2.370 1.720 1.00 0.28 C ATOM 483 C VAL A 35 15.993 -3.422 2.616 1.00 0.25 C ATOM 484 O VAL A 35 15.524 -4.454 2.138 1.00 0.25 O ATOM 485 CB VAL A 35 15.590 -1.448 1.041 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.511 -1.710 -0.457 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.213 -1.600 1.679 1.00 0.26 C ATOM 0 H VAL A 35 17.021 -3.360 -0.090 1.00 0.31 H new ATOM 0 HA VAL A 35 17.266 -1.724 2.344 1.00 0.28 H new ATOM 0 HB VAL A 35 15.918 -0.420 1.196 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.764 -1.052 -0.902 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.483 -1.517 -0.912 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.229 -2.749 -0.630 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.505 -0.941 1.177 1.00 0.26 H new ATOM 0 HG22 VAL A 35 13.879 -2.633 1.582 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.270 -1.335 2.735 1.00 0.26 H new ATOM 497 N THR A 36 15.989 -3.167 3.917 1.00 0.25 N ATOM 498 CA THR A 36 15.488 -4.127 4.885 1.00 0.27 C ATOM 499 C THR A 36 14.047 -3.808 5.232 1.00 0.23 C ATOM 500 O THR A 36 13.494 -2.843 4.709 1.00 0.20 O ATOM 501 CB THR A 36 16.325 -4.094 6.175 1.00 0.31 C ATOM 502 OG1 THR A 36 16.330 -2.762 6.708 1.00 0.30 O ATOM 503 CG2 THR A 36 17.751 -4.552 5.918 1.00 0.39 C ATOM 0 H THR A 36 16.330 -2.297 4.326 1.00 0.25 H new ATOM 0 HA THR A 36 15.556 -5.119 4.439 1.00 0.27 H new ATOM 0 HB THR A 36 15.875 -4.779 6.894 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.978 -2.215 6.217 1.00 0.30 H new ATOM 0 HG21 THR A 36 18.317 -4.518 6.849 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.742 -5.573 5.536 1.00 0.39 H new ATOM 0 HG23 THR A 36 18.218 -3.894 5.185 1.00 0.39 H new ATOM 511 N TYR A 37 13.435 -4.582 6.117 1.00 0.26 N ATOM 512 CA TYR A 37 12.087 -4.263 6.554 1.00 0.27 C ATOM 513 C TYR A 37 12.110 -2.932 7.304 1.00 0.23 C ATOM 514 O TYR A 37 11.134 -2.189 7.301 1.00 0.23 O ATOM 515 CB TYR A 37 11.487 -5.388 7.418 1.00 0.38 C ATOM 516 CG TYR A 37 11.791 -5.302 8.900 1.00 0.44 C ATOM 517 CD1 TYR A 37 12.983 -5.787 9.423 1.00 0.68 C ATOM 518 CD2 TYR A 37 10.869 -4.745 9.778 1.00 1.16 C ATOM 519 CE1 TYR A 37 13.249 -5.714 10.776 1.00 0.74 C ATOM 520 CE2 TYR A 37 11.128 -4.667 11.132 1.00 1.53 C ATOM 521 CZ TYR A 37 12.319 -5.153 11.627 1.00 1.12 C ATOM 522 OH TYR A 37 12.582 -5.073 12.975 1.00 1.50 O ATOM 0 H TYR A 37 13.841 -5.418 6.538 1.00 0.26 H new ATOM 0 HA TYR A 37 11.443 -4.171 5.680 1.00 0.27 H new ATOM 0 HB2 TYR A 37 10.405 -5.387 7.286 1.00 0.38 H new ATOM 0 HB3 TYR A 37 11.853 -6.344 7.044 1.00 0.38 H new ATOM 0 HD1 TYR A 37 13.713 -6.228 8.761 1.00 0.68 H new ATOM 0 HD2 TYR A 37 9.933 -4.366 9.394 1.00 1.16 H new ATOM 0 HE1 TYR A 37 14.181 -6.094 11.167 1.00 0.74 H new ATOM 0 HE2 TYR A 37 10.401 -4.228 11.799 1.00 1.53 H new ATOM 0 HH TYR A 37 11.825 -4.650 13.432 1.00 1.50 H new ATOM 532 N GLU A 38 13.259 -2.618 7.902 1.00 0.23 N ATOM 533 CA GLU A 38 13.437 -1.365 8.621 1.00 0.24 C ATOM 534 C GLU A 38 13.572 -0.205 7.642 1.00 0.24 C ATOM 535 O GLU A 38 12.977 0.854 7.840 1.00 0.26 O ATOM 536 CB GLU A 38 14.663 -1.441 9.530 1.00 0.29 C ATOM 537 CG GLU A 38 14.562 -2.522 10.589 1.00 0.35 C ATOM 538 CD GLU A 38 15.744 -2.535 11.533 1.00 0.67 C ATOM 539 OE1 GLU A 38 16.768 -3.164 11.206 1.00 0.96 O ATOM 540 OE2 GLU A 38 15.650 -1.927 12.617 1.00 0.93 O ATOM 0 H GLU A 38 14.082 -3.220 7.900 1.00 0.23 H new ATOM 0 HA GLU A 38 12.557 -1.194 9.241 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.548 -1.622 8.920 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.804 -0.477 10.018 1.00 0.29 H new ATOM 0 HG2 GLU A 38 13.647 -2.377 11.163 1.00 0.35 H new ATOM 0 HG3 GLU A 38 14.482 -3.494 10.102 1.00 0.35 H new ATOM 547 N ASP A 39 14.350 -0.409 6.581 1.00 0.24 N ATOM 548 CA ASP A 39 14.479 0.599 5.525 1.00 0.26 C ATOM 549 C ASP A 39 13.149 0.778 4.815 1.00 0.22 C ATOM 550 O ASP A 39 12.803 1.869 4.362 1.00 0.23 O ATOM 551 CB ASP A 39 15.532 0.196 4.490 1.00 0.31 C ATOM 552 CG ASP A 39 16.946 0.250 5.013 1.00 0.61 C ATOM 553 OD1 ASP A 39 17.498 1.364 5.124 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.502 -0.819 5.341 1.00 0.82 O ATOM 0 H ASP A 39 14.898 -1.256 6.428 1.00 0.24 H new ATOM 0 HA ASP A 39 14.788 1.531 5.999 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.320 -0.816 4.144 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.448 0.853 3.624 1.00 0.31 H new ATOM 559 N ALA A 40 12.420 -0.320 4.719 1.00 0.19 N ATOM 560 CA ALA A 40 11.122 -0.337 4.064 1.00 0.18 C ATOM 561 C ALA A 40 10.090 0.405 4.897 1.00 0.16 C ATOM 562 O ALA A 40 9.333 1.221 4.375 1.00 0.17 O ATOM 563 CB ALA A 40 10.673 -1.767 3.818 1.00 0.18 C ATOM 0 H ALA A 40 12.710 -1.224 5.092 1.00 0.19 H new ATOM 0 HA ALA A 40 11.216 0.170 3.104 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.700 -1.763 3.327 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.399 -2.272 3.181 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.598 -2.293 4.769 1.00 0.18 H new ATOM 569 N ILE A 41 10.061 0.122 6.195 1.00 0.16 N ATOM 570 CA ILE A 41 9.166 0.827 7.101 1.00 0.18 C ATOM 571 C ILE A 41 9.523 2.301 7.144 1.00 0.20 C ATOM 572 O ILE A 41 8.644 3.159 7.194 1.00 0.21 O ATOM 573 CB ILE A 41 9.190 0.233 8.532 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.559 -1.160 8.539 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.468 1.148 9.516 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.599 -1.846 9.887 1.00 0.30 C ATOM 0 H ILE A 41 10.644 -0.587 6.640 1.00 0.16 H new ATOM 0 HA ILE A 41 8.154 0.706 6.716 1.00 0.18 H new ATOM 0 HB ILE A 41 10.230 0.150 8.848 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.522 -1.080 8.214 1.00 0.24 H new ATOM 0 HG13 ILE A 41 9.074 -1.785 7.809 1.00 0.24 H new ATOM 0 HG21 ILE A 41 8.500 0.708 10.513 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.958 2.122 9.534 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.430 1.269 9.206 1.00 0.27 H new ATOM 0 HD11 ILE A 41 8.133 -2.828 9.809 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.635 -1.960 10.206 1.00 0.30 H new ATOM 0 HD13 ILE A 41 8.058 -1.244 10.618 1.00 0.30 H new ATOM 588 N LYS A 42 10.817 2.594 7.071 1.00 0.22 N ATOM 589 CA LYS A 42 11.270 3.974 7.075 1.00 0.28 C ATOM 590 C LYS A 42 10.765 4.692 5.831 1.00 0.28 C ATOM 591 O LYS A 42 10.590 5.907 5.823 1.00 0.37 O ATOM 592 CB LYS A 42 12.793 4.056 7.131 1.00 0.31 C ATOM 593 CG LYS A 42 13.301 5.484 7.244 1.00 0.85 C ATOM 594 CD LYS A 42 14.814 5.571 7.162 1.00 1.14 C ATOM 595 CE LYS A 42 15.260 7.022 7.131 1.00 1.46 C ATOM 596 NZ LYS A 42 16.733 7.162 7.015 1.00 2.32 N ATOM 0 H LYS A 42 11.562 1.900 7.009 1.00 0.22 H new ATOM 0 HA LYS A 42 10.867 4.457 7.965 1.00 0.28 H new ATOM 0 HB2 LYS A 42 13.153 3.479 7.983 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.210 3.596 6.235 1.00 0.31 H new ATOM 0 HG2 LYS A 42 12.862 6.086 6.449 1.00 0.85 H new ATOM 0 HG3 LYS A 42 12.966 5.911 8.189 1.00 0.85 H new ATOM 0 HD2 LYS A 42 15.261 5.065 8.018 1.00 1.14 H new ATOM 0 HD3 LYS A 42 15.166 5.056 6.268 1.00 1.14 H new ATOM 0 HE2 LYS A 42 14.783 7.527 6.291 1.00 1.46 H new ATOM 0 HE3 LYS A 42 14.921 7.522 8.038 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 16.986 8.171 6.998 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 17.190 6.704 7.829 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 17.057 6.709 6.136 1.00 2.32 H new ATOM 610 N GLU A 43 10.508 3.916 4.793 1.00 0.22 N ATOM 611 CA GLU A 43 10.044 4.460 3.534 1.00 0.25 C ATOM 612 C GLU A 43 8.539 4.625 3.592 1.00 0.18 C ATOM 613 O GLU A 43 8.005 5.710 3.360 1.00 0.18 O ATOM 614 CB GLU A 43 10.415 3.529 2.376 1.00 0.33 C ATOM 615 CG GLU A 43 10.006 4.062 1.012 1.00 0.34 C ATOM 616 CD GLU A 43 11.131 4.796 0.312 1.00 0.55 C ATOM 617 OE1 GLU A 43 12.307 4.436 0.532 1.00 1.02 O ATOM 618 OE2 GLU A 43 10.845 5.738 -0.457 1.00 0.94 O ATOM 0 H GLU A 43 10.614 2.902 4.800 1.00 0.22 H new ATOM 0 HA GLU A 43 10.520 5.426 3.366 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.492 3.364 2.384 1.00 0.33 H new ATOM 0 HB3 GLU A 43 9.943 2.559 2.535 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.674 3.233 0.387 1.00 0.34 H new ATOM 0 HG3 GLU A 43 9.156 4.734 1.129 1.00 0.34 H new ATOM 625 N LEU A 44 7.868 3.539 3.959 1.00 0.16 N ATOM 626 CA LEU A 44 6.416 3.506 3.959 1.00 0.15 C ATOM 627 C LEU A 44 5.858 4.524 4.947 1.00 0.14 C ATOM 628 O LEU A 44 4.853 5.174 4.671 1.00 0.16 O ATOM 629 CB LEU A 44 5.896 2.103 4.302 1.00 0.13 C ATOM 630 CG LEU A 44 4.388 1.916 4.104 1.00 0.15 C ATOM 631 CD1 LEU A 44 4.011 2.138 2.653 1.00 0.17 C ATOM 632 CD2 LEU A 44 3.946 0.532 4.541 1.00 0.14 C ATOM 0 H LEU A 44 8.310 2.670 4.260 1.00 0.16 H new ATOM 0 HA LEU A 44 6.076 3.763 2.956 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.423 1.374 3.687 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.143 1.882 5.340 1.00 0.13 H new ATOM 0 HG LEU A 44 3.879 2.654 4.724 1.00 0.15 H new ATOM 0 HD11 LEU A 44 2.937 2.001 2.531 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.284 3.151 2.357 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.541 1.422 2.026 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.872 0.428 4.389 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.470 -0.220 3.952 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.178 0.392 5.597 1.00 0.14 H new ATOM 644 N GLN A 45 6.533 4.675 6.085 1.00 0.14 N ATOM 645 CA GLN A 45 6.076 5.586 7.133 1.00 0.14 C ATOM 646 C GLN A 45 6.153 7.043 6.705 1.00 0.17 C ATOM 647 O GLN A 45 5.375 7.869 7.178 1.00 0.27 O ATOM 648 CB GLN A 45 6.870 5.379 8.425 1.00 0.16 C ATOM 649 CG GLN A 45 6.320 4.260 9.295 1.00 0.22 C ATOM 650 CD GLN A 45 5.153 4.695 10.164 1.00 0.36 C ATOM 651 OE1 GLN A 45 4.387 5.670 9.702 1.00 0.87 O flip ATOM 652 NE2 GLN A 45 4.939 4.154 11.247 1.00 0.44 N flip ATOM 0 H GLN A 45 7.397 4.179 6.305 1.00 0.14 H new ATOM 0 HA GLN A 45 5.028 5.349 7.316 1.00 0.14 H new ATOM 0 HB2 GLN A 45 7.908 5.159 8.174 1.00 0.16 H new ATOM 0 HB3 GLN A 45 6.870 6.307 8.996 1.00 0.16 H new ATOM 0 HG2 GLN A 45 6.002 3.436 8.657 1.00 0.22 H new ATOM 0 HG3 GLN A 45 7.118 3.879 9.933 1.00 0.22 H new ATOM 0 HE21 GLN A 45 5.550 3.405 11.573 1.00 0.44 H new ATOM 0 HE22 GLN A 45 4.150 4.454 11.820 1.00 0.44 H new ATOM 661 N LYS A 46 7.084 7.366 5.821 1.00 0.14 N ATOM 662 CA LYS A 46 7.199 8.730 5.331 1.00 0.17 C ATOM 663 C LYS A 46 6.134 9.000 4.280 1.00 0.18 C ATOM 664 O LYS A 46 5.501 10.052 4.285 1.00 0.21 O ATOM 665 CB LYS A 46 8.595 8.994 4.757 1.00 0.22 C ATOM 666 CG LYS A 46 9.700 8.977 5.801 1.00 0.27 C ATOM 667 CD LYS A 46 11.067 9.204 5.172 1.00 0.39 C ATOM 668 CE LYS A 46 12.170 9.226 6.221 1.00 0.49 C ATOM 669 NZ LYS A 46 12.048 10.396 7.136 1.00 1.31 N ATOM 0 H LYS A 46 7.763 6.711 5.432 1.00 0.14 H new ATOM 0 HA LYS A 46 7.047 9.408 6.171 1.00 0.17 H new ATOM 0 HB2 LYS A 46 8.814 8.243 3.998 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.595 9.963 4.257 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.509 9.749 6.547 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.693 8.020 6.323 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.270 8.416 4.447 1.00 0.39 H new ATOM 0 HD3 LYS A 46 11.065 10.147 4.626 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.135 8.305 6.803 1.00 0.49 H new ATOM 0 HE3 LYS A 46 13.141 9.253 5.726 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 12.911 10.479 7.710 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 11.920 11.263 6.576 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 11.228 10.264 7.761 1.00 1.31 H new ATOM 683 N TRP A 47 5.938 8.046 3.380 1.00 0.16 N ATOM 684 CA TRP A 47 4.899 8.163 2.369 1.00 0.19 C ATOM 685 C TRP A 47 3.504 8.181 2.984 1.00 0.19 C ATOM 686 O TRP A 47 2.702 9.048 2.648 1.00 0.22 O ATOM 687 CB TRP A 47 5.047 7.052 1.330 1.00 0.20 C ATOM 688 CG TRP A 47 6.349 7.173 0.615 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.338 6.237 0.510 1.00 0.18 C ATOM 690 CD2 TRP A 47 6.825 8.341 -0.059 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.401 6.759 -0.181 1.00 0.24 N ATOM 692 CE2 TRP A 47 8.106 8.046 -0.544 1.00 0.32 C ATOM 693 CE3 TRP A 47 6.288 9.610 -0.300 1.00 0.41 C ATOM 694 CZ2 TRP A 47 8.861 8.969 -1.249 1.00 0.43 C ATOM 695 CZ3 TRP A 47 7.038 10.526 -1.006 1.00 0.52 C ATOM 696 CH2 TRP A 47 8.314 10.202 -1.472 1.00 0.52 C ATOM 0 H TRP A 47 6.483 7.186 3.330 1.00 0.16 H new ATOM 0 HA TRP A 47 5.024 9.121 1.865 1.00 0.19 H new ATOM 0 HB2 TRP A 47 4.983 6.079 1.818 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.227 7.104 0.614 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.290 5.235 0.911 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.270 6.268 -0.391 1.00 0.24 H new ATOM 0 HE3 TRP A 47 5.303 9.867 0.061 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 9.849 8.723 -1.610 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 6.633 11.508 -1.202 1.00 0.52 H new ATOM 0 HH2 TRP A 47 8.880 10.941 -2.020 1.00 0.52 H new ATOM 707 N SER A 48 3.220 7.264 3.903 1.00 0.17 N ATOM 708 CA SER A 48 1.925 7.248 4.567 1.00 0.19 C ATOM 709 C SER A 48 1.740 8.522 5.391 1.00 0.20 C ATOM 710 O SER A 48 0.617 8.963 5.632 1.00 0.28 O ATOM 711 CB SER A 48 1.772 5.996 5.446 1.00 0.23 C ATOM 712 OG SER A 48 2.738 5.948 6.487 1.00 0.82 O ATOM 0 H SER A 48 3.863 6.530 4.202 1.00 0.17 H new ATOM 0 HA SER A 48 1.146 7.213 3.805 1.00 0.19 H new ATOM 0 HB2 SER A 48 0.772 5.979 5.880 1.00 0.23 H new ATOM 0 HB3 SER A 48 1.865 5.105 4.825 1.00 0.23 H new ATOM 0 HG SER A 48 3.632 5.848 6.099 1.00 0.82 H new ATOM 718 N GLN A 49 2.856 9.117 5.803 1.00 0.17 N ATOM 719 CA GLN A 49 2.832 10.392 6.505 1.00 0.17 C ATOM 720 C GLN A 49 2.471 11.512 5.541 1.00 0.18 C ATOM 721 O GLN A 49 1.506 12.237 5.756 1.00 0.21 O ATOM 722 CB GLN A 49 4.193 10.696 7.130 1.00 0.19 C ATOM 723 CG GLN A 49 4.128 11.777 8.191 1.00 0.23 C ATOM 724 CD GLN A 49 5.498 12.207 8.674 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.040 11.636 9.620 1.00 0.53 O ATOM 726 NE2 GLN A 49 6.065 13.217 8.033 1.00 0.45 N ATOM 0 H GLN A 49 3.790 8.733 5.661 1.00 0.17 H new ATOM 0 HA GLN A 49 2.084 10.326 7.295 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.596 9.785 7.572 1.00 0.19 H new ATOM 0 HB3 GLN A 49 4.886 11.004 6.347 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.601 12.643 7.790 1.00 0.23 H new ATOM 0 HG3 GLN A 49 3.546 11.414 9.038 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.581 13.662 7.253 1.00 0.45 H new ATOM 0 HE22 GLN A 49 6.986 13.550 8.319 1.00 0.45 H new ATOM 735 N ARG A 50 3.249 11.630 4.469 1.00 0.16 N ATOM 736 CA ARG A 50 3.073 12.703 3.496 1.00 0.16 C ATOM 737 C ARG A 50 1.699 12.647 2.840 1.00 0.14 C ATOM 738 O ARG A 50 1.065 13.678 2.629 1.00 0.15 O ATOM 739 CB ARG A 50 4.147 12.633 2.417 1.00 0.15 C ATOM 740 CG ARG A 50 5.558 12.872 2.914 1.00 0.19 C ATOM 741 CD ARG A 50 6.545 12.700 1.777 1.00 0.20 C ATOM 742 NE ARG A 50 7.928 12.906 2.197 1.00 0.27 N ATOM 743 CZ ARG A 50 8.939 13.080 1.348 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.704 13.136 0.041 1.00 0.35 N ATOM 745 NH2 ARG A 50 10.178 13.212 1.805 1.00 0.42 N ATOM 0 H ARG A 50 4.013 10.990 4.251 1.00 0.16 H new ATOM 0 HA ARG A 50 3.161 13.644 4.039 1.00 0.16 H new ATOM 0 HB2 ARG A 50 4.104 11.652 1.943 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.918 13.369 1.647 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.641 13.876 3.329 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.792 12.174 3.718 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.441 11.698 1.360 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.302 13.404 0.981 1.00 0.20 H new ATOM 0 HE ARG A 50 8.131 12.917 3.197 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.751 13.046 -0.310 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.477 13.269 -0.611 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.358 13.180 2.809 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.951 13.345 1.153 1.00 0.42 H new ATOM 759 N ILE A 51 1.259 11.444 2.500 1.00 0.13 N ATOM 760 CA ILE A 51 -0.065 11.247 1.919 1.00 0.13 C ATOM 761 C ILE A 51 -1.150 11.718 2.889 1.00 0.16 C ATOM 762 O ILE A 51 -2.159 12.298 2.480 1.00 0.20 O ATOM 763 CB ILE A 51 -0.292 9.760 1.554 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.679 9.330 0.451 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.726 9.522 1.113 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.634 7.847 0.145 1.00 0.13 C ATOM 0 H ILE A 51 1.799 10.587 2.616 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.124 11.840 1.006 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.105 9.159 2.444 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.452 9.887 -0.458 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.693 9.601 0.746 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.860 8.470 0.862 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.405 9.791 1.922 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -1.944 10.134 0.238 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.348 7.617 -0.646 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.891 7.283 1.041 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.369 7.573 -0.181 1.00 0.13 H new ATOM 778 N ALA A 52 -0.919 11.490 4.176 1.00 0.16 N ATOM 779 CA ALA A 52 -1.873 11.866 5.208 1.00 0.20 C ATOM 780 C ALA A 52 -1.810 13.365 5.508 1.00 0.22 C ATOM 781 O ALA A 52 -2.837 14.000 5.751 1.00 0.27 O ATOM 782 CB ALA A 52 -1.611 11.062 6.472 1.00 0.21 C ATOM 0 H ALA A 52 -0.073 11.043 4.530 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.875 11.644 4.841 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -2.329 11.348 7.241 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.716 9.999 6.255 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.600 11.262 6.827 1.00 0.21 H new ATOM 788 N SER A 53 -0.607 13.922 5.483 1.00 0.22 N ATOM 789 CA SER A 53 -0.404 15.330 5.803 1.00 0.26 C ATOM 790 C SER A 53 -0.781 16.231 4.628 1.00 0.28 C ATOM 791 O SER A 53 -1.188 17.378 4.817 1.00 0.35 O ATOM 792 CB SER A 53 1.054 15.566 6.198 1.00 0.28 C ATOM 793 OG SER A 53 1.935 15.112 5.183 1.00 0.26 O ATOM 0 H SER A 53 0.247 13.419 5.243 1.00 0.22 H new ATOM 0 HA SER A 53 -1.055 15.584 6.640 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.218 16.628 6.379 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.270 15.047 7.132 1.00 0.28 H new ATOM 0 HG SER A 53 2.859 15.324 5.433 1.00 0.26 H new ATOM 799 N GLY A 54 -0.639 15.709 3.416 1.00 0.25 N ATOM 800 CA GLY A 54 -0.972 16.479 2.233 1.00 0.28 C ATOM 801 C GLY A 54 0.259 16.945 1.485 1.00 0.26 C ATOM 802 O GLY A 54 0.168 17.758 0.561 1.00 0.30 O ATOM 0 H GLY A 54 -0.299 14.765 3.231 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.590 15.873 1.570 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.568 17.345 2.522 1.00 0.28 H new ATOM 806 N GLU A 55 1.414 16.431 1.889 1.00 0.23 N ATOM 807 CA GLU A 55 2.676 16.762 1.242 1.00 0.23 C ATOM 808 C GLU A 55 2.710 16.198 -0.172 1.00 0.20 C ATOM 809 O GLU A 55 3.108 16.879 -1.113 1.00 0.24 O ATOM 810 CB GLU A 55 3.839 16.217 2.063 1.00 0.24 C ATOM 811 CG GLU A 55 3.969 16.873 3.425 1.00 0.42 C ATOM 812 CD GLU A 55 5.027 16.221 4.280 1.00 0.46 C ATOM 813 OE1 GLU A 55 6.223 16.321 3.931 1.00 0.54 O ATOM 814 OE2 GLU A 55 4.669 15.597 5.301 1.00 0.65 O ATOM 0 H GLU A 55 1.502 15.778 2.668 1.00 0.23 H new ATOM 0 HA GLU A 55 2.768 17.846 1.180 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.710 15.143 2.195 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.766 16.361 1.508 1.00 0.24 H new ATOM 0 HG2 GLU A 55 4.210 17.928 3.295 1.00 0.42 H new ATOM 0 HG3 GLU A 55 3.010 16.826 3.941 1.00 0.42 H new ATOM 821 N VAL A 56 2.291 14.949 -0.307 1.00 0.17 N ATOM 822 CA VAL A 56 2.094 14.336 -1.613 1.00 0.15 C ATOM 823 C VAL A 56 0.785 13.570 -1.609 1.00 0.15 C ATOM 824 O VAL A 56 0.310 13.155 -0.554 1.00 0.19 O ATOM 825 CB VAL A 56 3.235 13.371 -2.023 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.500 14.132 -2.370 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.519 12.355 -0.933 1.00 0.15 C ATOM 0 H VAL A 56 2.079 14.335 0.479 1.00 0.17 H new ATOM 0 HA VAL A 56 2.084 15.147 -2.341 1.00 0.15 H new ATOM 0 HB VAL A 56 2.899 12.836 -2.911 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.282 13.428 -2.654 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.301 14.808 -3.202 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.827 14.708 -1.504 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.324 11.694 -1.253 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.816 12.873 -0.021 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.621 11.767 -0.741 1.00 0.15 H new ATOM 837 N SER A 57 0.200 13.395 -2.778 1.00 0.13 N ATOM 838 CA SER A 57 -1.029 12.640 -2.887 1.00 0.15 C ATOM 839 C SER A 57 -0.698 11.163 -3.015 1.00 0.15 C ATOM 840 O SER A 57 0.429 10.818 -3.388 1.00 0.18 O ATOM 841 CB SER A 57 -1.837 13.114 -4.093 1.00 0.22 C ATOM 842 OG SER A 57 -1.932 14.528 -4.116 1.00 0.97 O ATOM 0 H SER A 57 0.555 13.764 -3.660 1.00 0.13 H new ATOM 0 HA SER A 57 -1.632 12.797 -1.993 1.00 0.15 H new ATOM 0 HB2 SER A 57 -1.367 12.762 -5.011 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.836 12.679 -4.060 1.00 0.22 H new ATOM 0 HG SER A 57 -2.452 14.808 -4.898 1.00 0.97 H new ATOM 848 N PHE A 58 -1.650 10.299 -2.702 1.00 0.16 N ATOM 849 CA PHE A 58 -1.417 8.863 -2.749 1.00 0.16 C ATOM 850 C PHE A 58 -0.885 8.466 -4.123 1.00 0.18 C ATOM 851 O PHE A 58 0.119 7.758 -4.234 1.00 0.19 O ATOM 852 CB PHE A 58 -2.708 8.107 -2.440 1.00 0.18 C ATOM 853 CG PHE A 58 -2.486 6.769 -1.795 1.00 0.17 C ATOM 854 CD1 PHE A 58 -1.871 5.743 -2.488 1.00 0.18 C ATOM 855 CD2 PHE A 58 -2.898 6.541 -0.493 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.669 4.515 -1.895 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.699 5.315 0.107 1.00 0.21 C ATOM 858 CZ PHE A 58 -2.084 4.300 -0.596 1.00 0.22 C ATOM 0 H PHE A 58 -2.591 10.566 -2.413 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.674 8.601 -1.996 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.328 8.718 -1.784 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.266 7.966 -3.366 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.545 5.905 -3.505 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.381 7.333 0.060 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.186 3.722 -2.446 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -3.024 5.150 1.124 1.00 0.21 H new ATOM 0 HZ PHE A 58 -1.927 3.338 -0.131 1.00 0.22 H new ATOM 868 N GLU A 59 -1.542 8.975 -5.161 1.00 0.20 N ATOM 869 CA GLU A 59 -1.169 8.674 -6.541 1.00 0.22 C ATOM 870 C GLU A 59 0.247 9.140 -6.878 1.00 0.24 C ATOM 871 O GLU A 59 0.886 8.576 -7.769 1.00 0.31 O ATOM 872 CB GLU A 59 -2.168 9.303 -7.513 1.00 0.27 C ATOM 873 CG GLU A 59 -3.562 8.709 -7.416 1.00 0.36 C ATOM 874 CD GLU A 59 -4.569 9.449 -8.265 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.922 10.599 -7.919 1.00 0.96 O ATOM 876 OE2 GLU A 59 -5.015 8.885 -9.287 1.00 1.72 O ATOM 0 H GLU A 59 -2.341 9.602 -5.072 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.190 7.589 -6.645 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -2.224 10.375 -7.322 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -1.799 9.180 -8.531 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -3.530 7.664 -7.725 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -3.888 8.724 -6.376 1.00 0.36 H new ATOM 883 N GLU A 60 0.746 10.162 -6.186 1.00 0.23 N ATOM 884 CA GLU A 60 2.102 10.634 -6.437 1.00 0.24 C ATOM 885 C GLU A 60 3.116 9.646 -5.886 1.00 0.23 C ATOM 886 O GLU A 60 4.023 9.212 -6.596 1.00 0.26 O ATOM 887 CB GLU A 60 2.341 12.023 -5.833 1.00 0.25 C ATOM 888 CG GLU A 60 1.453 13.100 -6.430 1.00 0.29 C ATOM 889 CD GLU A 60 1.555 13.154 -7.940 1.00 1.18 C ATOM 890 OE1 GLU A 60 2.635 13.510 -8.458 1.00 1.24 O ATOM 891 OE2 GLU A 60 0.561 12.824 -8.620 1.00 2.09 O ATOM 0 H GLU A 60 0.241 10.670 -5.460 1.00 0.23 H new ATOM 0 HA GLU A 60 2.226 10.713 -7.517 1.00 0.24 H new ATOM 0 HB2 GLU A 60 2.171 11.978 -4.757 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.385 12.300 -5.980 1.00 0.25 H new ATOM 0 HG2 GLU A 60 0.418 12.915 -6.144 1.00 0.29 H new ATOM 0 HG3 GLU A 60 1.730 14.069 -6.014 1.00 0.29 H new ATOM 898 N ALA A 61 2.943 9.272 -4.630 1.00 0.22 N ATOM 899 CA ALA A 61 3.875 8.369 -3.976 1.00 0.23 C ATOM 900 C ALA A 61 3.803 6.973 -4.581 1.00 0.22 C ATOM 901 O ALA A 61 4.827 6.385 -4.914 1.00 0.26 O ATOM 902 CB ALA A 61 3.603 8.314 -2.481 1.00 0.24 C ATOM 0 H ALA A 61 2.167 9.579 -4.043 1.00 0.22 H new ATOM 0 HA ALA A 61 4.883 8.754 -4.134 1.00 0.23 H new ATOM 0 HB1 ALA A 61 4.310 7.633 -2.007 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.717 9.310 -2.054 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.587 7.959 -2.309 1.00 0.24 H new ATOM 908 N ALA A 62 2.589 6.461 -4.751 1.00 0.20 N ATOM 909 CA ALA A 62 2.385 5.093 -5.219 1.00 0.20 C ATOM 910 C ALA A 62 3.055 4.838 -6.571 1.00 0.21 C ATOM 911 O ALA A 62 3.844 3.912 -6.706 1.00 0.24 O ATOM 912 CB ALA A 62 0.901 4.784 -5.297 1.00 0.20 C ATOM 0 H ALA A 62 1.727 6.975 -4.571 1.00 0.20 H new ATOM 0 HA ALA A 62 2.856 4.426 -4.496 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.760 3.761 -5.647 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.454 4.894 -4.309 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.422 5.474 -5.991 1.00 0.20 H new ATOM 918 N SER A 63 2.751 5.672 -7.554 1.00 0.21 N ATOM 919 CA SER A 63 3.290 5.522 -8.908 1.00 0.23 C ATOM 920 C SER A 63 4.820 5.401 -8.951 1.00 0.24 C ATOM 921 O SER A 63 5.378 4.951 -9.954 1.00 0.27 O ATOM 922 CB SER A 63 2.845 6.704 -9.766 1.00 0.26 C ATOM 923 OG SER A 63 1.433 6.836 -9.751 1.00 1.00 O ATOM 0 H SER A 63 2.127 6.471 -7.442 1.00 0.21 H new ATOM 0 HA SER A 63 2.894 4.585 -9.300 1.00 0.23 H new ATOM 0 HB2 SER A 63 3.304 7.621 -9.396 1.00 0.26 H new ATOM 0 HB3 SER A 63 3.191 6.566 -10.790 1.00 0.26 H new ATOM 0 HG SER A 63 1.185 7.640 -9.249 1.00 1.00 H new ATOM 929 N GLN A 64 5.500 5.803 -7.884 1.00 0.24 N ATOM 930 CA GLN A 64 6.951 5.728 -7.843 1.00 0.27 C ATOM 931 C GLN A 64 7.395 4.665 -6.859 1.00 0.26 C ATOM 932 O GLN A 64 8.307 3.882 -7.124 1.00 0.29 O ATOM 933 CB GLN A 64 7.521 7.074 -7.411 1.00 0.31 C ATOM 934 CG GLN A 64 6.908 8.243 -8.153 1.00 0.35 C ATOM 935 CD GLN A 64 7.352 9.586 -7.614 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.365 10.140 -8.038 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.577 10.132 -6.696 1.00 0.35 N ATOM 0 H GLN A 64 5.070 6.182 -7.040 1.00 0.24 H new ATOM 0 HA GLN A 64 7.315 5.472 -8.838 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.358 7.205 -6.341 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.599 7.074 -7.572 1.00 0.31 H new ATOM 0 HG2 GLN A 64 7.173 8.176 -9.208 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.822 8.175 -8.093 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.745 9.639 -6.372 1.00 0.35 H new ATOM 0 HE22 GLN A 64 6.810 11.047 -6.311 1.00 0.35 H new ATOM 946 N ARG A 65 6.742 4.670 -5.713 1.00 0.26 N ATOM 947 CA ARG A 65 7.152 3.858 -4.583 1.00 0.28 C ATOM 948 C ARG A 65 6.410 2.529 -4.465 1.00 0.27 C ATOM 949 O ARG A 65 7.006 1.538 -4.059 1.00 0.32 O ATOM 950 CB ARG A 65 6.963 4.675 -3.317 1.00 0.33 C ATOM 951 CG ARG A 65 7.741 5.978 -3.353 1.00 0.37 C ATOM 952 CD ARG A 65 9.204 5.711 -3.676 1.00 0.43 C ATOM 953 NE ARG A 65 10.108 6.772 -3.239 1.00 0.58 N ATOM 954 CZ ARG A 65 10.983 7.392 -4.033 1.00 0.66 C ATOM 955 NH1 ARG A 65 11.027 7.120 -5.334 1.00 0.59 N ATOM 956 NH2 ARG A 65 11.819 8.286 -3.522 1.00 0.86 N ATOM 0 H ARG A 65 5.912 5.237 -5.539 1.00 0.26 H new ATOM 0 HA ARG A 65 8.198 3.592 -4.738 1.00 0.28 H new ATOM 0 HB2 ARG A 65 5.903 4.890 -3.181 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.282 4.087 -2.456 1.00 0.33 H new ATOM 0 HG2 ARG A 65 7.312 6.645 -4.101 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.660 6.484 -2.391 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.505 4.774 -3.207 1.00 0.43 H new ATOM 0 HD3 ARG A 65 9.310 5.577 -4.752 1.00 0.43 H new ATOM 0 HE ARG A 65 10.068 7.058 -2.261 1.00 0.58 H new ATOM 0 HH11 ARG A 65 10.388 6.432 -5.733 1.00 0.59 H new ATOM 0 HH12 ARG A 65 11.699 7.599 -5.933 1.00 0.59 H new ATOM 0 HH21 ARG A 65 11.792 8.498 -2.525 1.00 0.86 H new ATOM 0 HH22 ARG A 65 12.489 8.762 -4.126 1.00 0.86 H new ATOM 970 N SER A 66 5.121 2.503 -4.786 1.00 0.25 N ATOM 971 CA SER A 66 4.341 1.276 -4.631 1.00 0.25 C ATOM 972 C SER A 66 4.881 0.186 -5.546 1.00 0.23 C ATOM 973 O SER A 66 4.855 0.309 -6.771 1.00 0.24 O ATOM 974 CB SER A 66 2.842 1.502 -4.895 1.00 0.24 C ATOM 975 OG SER A 66 2.558 1.646 -6.274 1.00 0.82 O ATOM 0 H SER A 66 4.600 3.301 -5.149 1.00 0.25 H new ATOM 0 HA SER A 66 4.442 0.957 -3.594 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.274 0.663 -4.494 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.511 2.394 -4.363 1.00 0.24 H new ATOM 0 HG SER A 66 3.197 2.270 -6.676 1.00 0.82 H new ATOM 981 N ASP A 67 5.380 -0.874 -4.936 1.00 0.25 N ATOM 982 CA ASP A 67 5.971 -1.974 -5.671 1.00 0.28 C ATOM 983 C ASP A 67 4.906 -2.963 -6.130 1.00 0.31 C ATOM 984 O ASP A 67 5.211 -4.061 -6.594 1.00 0.48 O ATOM 985 CB ASP A 67 7.029 -2.668 -4.819 1.00 0.39 C ATOM 986 CG ASP A 67 8.097 -1.706 -4.334 1.00 1.59 C ATOM 987 OD1 ASP A 67 8.640 -0.957 -5.163 1.00 1.91 O ATOM 988 OD2 ASP A 67 8.424 -1.724 -3.132 1.00 2.28 O ATOM 0 H ASP A 67 5.387 -0.995 -3.923 1.00 0.25 H new ATOM 0 HA ASP A 67 6.453 -1.572 -6.562 1.00 0.28 H new ATOM 0 HB2 ASP A 67 6.550 -3.139 -3.961 1.00 0.39 H new ATOM 0 HB3 ASP A 67 7.496 -3.464 -5.400 1.00 0.39 H new ATOM 993 N CYS A 68 3.652 -2.570 -5.971 1.00 0.24 N ATOM 994 CA CYS A 68 2.531 -3.303 -6.542 1.00 0.26 C ATOM 995 C CYS A 68 2.360 -2.945 -8.015 1.00 0.27 C ATOM 996 O CYS A 68 3.140 -2.170 -8.565 1.00 0.38 O ATOM 997 CB CYS A 68 1.241 -2.985 -5.784 1.00 0.29 C ATOM 998 SG CYS A 68 0.750 -4.225 -4.566 1.00 1.52 S ATOM 0 H CYS A 68 3.382 -1.738 -5.445 1.00 0.24 H new ATOM 0 HA CYS A 68 2.740 -4.369 -6.454 1.00 0.26 H new ATOM 0 HB2 CYS A 68 1.361 -2.027 -5.278 1.00 0.29 H new ATOM 0 HB3 CYS A 68 0.433 -2.865 -6.506 1.00 0.29 H new ATOM 0 HG CYS A 68 -0.316 -4.843 -4.981 1.00 1.52 H new ATOM 1004 N GLY A 69 1.338 -3.501 -8.649 1.00 0.26 N ATOM 1005 CA GLY A 69 1.049 -3.147 -10.024 1.00 0.25 C ATOM 1006 C GLY A 69 0.385 -1.790 -10.125 1.00 0.22 C ATOM 1007 O GLY A 69 0.424 -1.139 -11.173 1.00 0.25 O ATOM 0 H GLY A 69 0.706 -4.188 -8.238 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.974 -3.144 -10.601 1.00 0.25 H new ATOM 0 HA3 GLY A 69 0.400 -3.903 -10.466 1.00 0.25 H new ATOM 1011 N SER A 70 -0.207 -1.357 -9.018 1.00 0.21 N ATOM 1012 CA SER A 70 -0.913 -0.090 -8.950 1.00 0.24 C ATOM 1013 C SER A 70 0.009 1.128 -9.124 1.00 0.22 C ATOM 1014 O SER A 70 -0.463 2.260 -9.085 1.00 0.25 O ATOM 1015 CB SER A 70 -1.656 -0.004 -7.619 1.00 0.31 C ATOM 1016 OG SER A 70 -0.759 -0.139 -6.524 1.00 0.32 O ATOM 0 H SER A 70 -0.209 -1.879 -8.142 1.00 0.21 H new ATOM 0 HA SER A 70 -1.615 -0.062 -9.784 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.177 0.951 -7.551 1.00 0.31 H new ATOM 0 HB3 SER A 70 -2.414 -0.785 -7.571 1.00 0.31 H new ATOM 0 HG SER A 70 -1.226 0.078 -5.690 1.00 0.32 H new ATOM 1022 N TYR A 71 1.312 0.914 -9.322 1.00 0.20 N ATOM 1023 CA TYR A 71 2.230 2.028 -9.573 1.00 0.20 C ATOM 1024 C TYR A 71 1.849 2.734 -10.874 1.00 0.22 C ATOM 1025 O TYR A 71 2.175 3.895 -11.081 1.00 0.29 O ATOM 1026 CB TYR A 71 3.695 1.551 -9.642 1.00 0.21 C ATOM 1027 CG TYR A 71 4.069 0.824 -10.921 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.822 -0.534 -11.077 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.685 1.501 -11.967 1.00 0.35 C ATOM 1030 CE1 TYR A 71 4.175 -1.195 -12.239 1.00 0.36 C ATOM 1031 CE2 TYR A 71 5.037 0.848 -13.131 1.00 0.44 C ATOM 1032 CZ TYR A 71 4.781 -0.498 -13.263 1.00 0.43 C ATOM 1033 OH TYR A 71 5.142 -1.148 -14.421 1.00 0.54 O ATOM 0 H TYR A 71 1.751 -0.007 -9.314 1.00 0.20 H new ATOM 0 HA TYR A 71 2.145 2.726 -8.740 1.00 0.20 H new ATOM 0 HB2 TYR A 71 4.349 2.415 -9.527 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.888 0.891 -8.796 1.00 0.21 H new ATOM 0 HD1 TYR A 71 3.346 -1.083 -10.277 1.00 0.27 H new ATOM 0 HD2 TYR A 71 4.892 2.556 -11.867 1.00 0.35 H new ATOM 0 HE1 TYR A 71 3.977 -2.252 -12.344 1.00 0.36 H new ATOM 0 HE2 TYR A 71 5.511 1.391 -13.935 1.00 0.44 H new ATOM 0 HH TYR A 71 5.556 -0.510 -15.039 1.00 0.54 H new ATOM 1043 N ALA A 72 1.147 2.025 -11.750 1.00 0.24 N ATOM 1044 CA ALA A 72 0.691 2.607 -13.003 1.00 0.30 C ATOM 1045 C ALA A 72 -0.726 3.139 -12.847 1.00 0.36 C ATOM 1046 O ALA A 72 -1.291 3.735 -13.763 1.00 0.49 O ATOM 1047 CB ALA A 72 0.753 1.573 -14.116 1.00 0.38 C ATOM 0 H ALA A 72 0.883 1.049 -11.615 1.00 0.24 H new ATOM 0 HA ALA A 72 1.347 3.437 -13.266 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.409 2.021 -15.048 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.780 1.229 -14.236 1.00 0.38 H new ATOM 0 HB3 ALA A 72 0.114 0.727 -13.863 1.00 0.38 H new ATOM 1053 N SER A 73 -1.283 2.926 -11.666 1.00 0.32 N ATOM 1054 CA SER A 73 -2.660 3.293 -11.380 1.00 0.44 C ATOM 1055 C SER A 73 -2.715 4.378 -10.306 1.00 0.49 C ATOM 1056 O SER A 73 -3.793 4.815 -9.902 1.00 0.71 O ATOM 1057 CB SER A 73 -3.414 2.052 -10.903 1.00 0.47 C ATOM 1058 OG SER A 73 -3.012 0.904 -11.636 1.00 0.62 O ATOM 0 H SER A 73 -0.795 2.495 -10.881 1.00 0.32 H new ATOM 0 HA SER A 73 -3.123 3.685 -12.286 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.228 1.894 -9.841 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.487 2.206 -11.019 1.00 0.47 H new ATOM 0 HG SER A 73 -3.505 0.121 -11.314 1.00 0.62 H new ATOM 1064 N GLY A 74 -1.543 4.803 -9.847 1.00 0.41 N ATOM 1065 CA GLY A 74 -1.471 5.774 -8.773 1.00 0.54 C ATOM 1066 C GLY A 74 -1.847 5.169 -7.434 1.00 0.45 C ATOM 1067 O GLY A 74 -2.232 5.876 -6.508 1.00 0.49 O ATOM 0 H GLY A 74 -0.639 4.491 -10.202 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -0.460 6.178 -8.717 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -2.137 6.609 -8.994 1.00 0.54 H new ATOM 1071 N GLY A 75 -1.739 3.852 -7.335 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.119 3.160 -6.118 1.00 0.32 C ATOM 1073 C GLY A 75 -3.595 2.824 -6.091 1.00 0.20 C ATOM 1074 O GLY A 75 -4.025 1.918 -5.372 1.00 0.21 O ATOM 0 H GLY A 75 -1.393 3.247 -8.079 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.537 2.243 -6.026 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -1.873 3.781 -5.257 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.359 3.541 -6.901 1.00 0.35 N ATOM 1079 CA ASP A 76 -5.809 3.402 -6.934 1.00 0.39 C ATOM 1080 C ASP A 76 -6.212 2.075 -7.535 1.00 0.32 C ATOM 1081 O ASP A 76 -5.714 1.685 -8.592 1.00 0.36 O ATOM 1082 CB ASP A 76 -6.429 4.510 -7.767 1.00 0.63 C ATOM 1083 CG ASP A 76 -7.910 4.689 -7.509 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -8.271 5.335 -6.506 1.00 1.65 O ATOM 1085 OD2 ASP A 76 -8.723 4.208 -8.329 1.00 0.80 O ATOM 0 H ASP A 76 -3.993 4.235 -7.553 1.00 0.35 H new ATOM 0 HA ASP A 76 -6.166 3.461 -5.906 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -5.914 5.447 -7.556 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -6.274 4.292 -8.824 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.112 1.385 -6.867 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.662 0.156 -7.393 1.00 0.30 C ATOM 1092 C LEU A 77 -9.153 0.294 -7.596 1.00 0.32 C ATOM 1093 O LEU A 77 -9.792 1.187 -7.043 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.371 -1.019 -6.466 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.254 -1.965 -6.928 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -4.994 -1.193 -7.308 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -5.952 -2.986 -5.842 1.00 0.94 C ATOM 0 H LEU A 77 -7.479 1.657 -5.955 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.186 -0.040 -8.354 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.108 -0.627 -5.483 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.286 -1.598 -6.344 1.00 0.32 H new ATOM 0 HG LEU A 77 -6.599 -2.490 -7.819 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -4.222 -1.892 -7.631 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -5.221 -0.503 -8.121 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -4.637 -0.632 -6.445 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.158 -3.652 -6.180 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -5.632 -2.470 -4.937 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -6.849 -3.568 -5.630 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.685 -0.595 -8.397 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.099 -0.584 -8.711 1.00 0.39 C ATOM 1111 C GLY A 78 -11.934 -1.328 -7.689 1.00 0.34 C ATOM 1112 O GLY A 78 -11.457 -1.650 -6.597 1.00 0.44 O ATOM 0 H GLY A 78 -9.158 -1.343 -8.849 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.444 0.448 -8.774 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.252 -1.031 -9.693 1.00 0.39 H new ATOM 1116 N PHE A 79 -13.176 -1.618 -8.053 1.00 0.47 N ATOM 1117 CA PHE A 79 -14.116 -2.259 -7.145 1.00 0.46 C ATOM 1118 C PHE A 79 -13.803 -3.737 -6.940 1.00 0.45 C ATOM 1119 O PHE A 79 -13.394 -4.439 -7.867 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.549 -2.109 -7.656 1.00 0.61 C ATOM 1121 CG PHE A 79 -16.068 -0.704 -7.592 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -16.534 -0.175 -6.400 1.00 2.78 C ATOM 1123 CD2 PHE A 79 -16.084 0.091 -8.725 1.00 1.73 C ATOM 1124 CE1 PHE A 79 -17.007 1.119 -6.340 1.00 3.87 C ATOM 1125 CE2 PHE A 79 -16.555 1.386 -8.671 1.00 2.78 C ATOM 1126 CZ PHE A 79 -17.039 1.892 -7.468 1.00 3.85 C ATOM 0 H PHE A 79 -13.557 -1.418 -8.978 1.00 0.47 H new ATOM 0 HA PHE A 79 -14.015 -1.756 -6.183 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.596 -2.457 -8.688 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -16.203 -2.756 -7.071 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -16.527 -0.783 -5.507 1.00 2.78 H new ATOM 0 HD2 PHE A 79 -15.724 -0.307 -9.662 1.00 1.73 H new ATOM 0 HE1 PHE A 79 -17.353 1.523 -5.400 1.00 3.87 H new ATOM 0 HE2 PHE A 79 -16.548 2.004 -9.557 1.00 2.78 H new ATOM 0 HZ PHE A 79 -17.439 2.894 -7.425 1.00 3.85 H new ATOM 1136 N PHE A 80 -14.011 -4.187 -5.713 1.00 0.40 N ATOM 1137 CA PHE A 80 -13.845 -5.582 -5.340 1.00 0.45 C ATOM 1138 C PHE A 80 -14.807 -5.904 -4.216 1.00 0.46 C ATOM 1139 O PHE A 80 -15.405 -5.007 -3.628 1.00 0.55 O ATOM 1140 CB PHE A 80 -12.414 -5.873 -4.861 1.00 0.45 C ATOM 1141 CG PHE A 80 -12.029 -5.156 -3.589 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -11.993 -3.770 -3.529 1.00 1.01 C ATOM 1143 CD2 PHE A 80 -11.704 -5.874 -2.451 1.00 0.89 C ATOM 1144 CE1 PHE A 80 -11.642 -3.120 -2.361 1.00 1.28 C ATOM 1145 CE2 PHE A 80 -11.353 -5.227 -1.283 1.00 1.19 C ATOM 1146 CZ PHE A 80 -11.320 -3.848 -1.240 1.00 1.31 C ATOM 0 H PHE A 80 -14.303 -3.588 -4.941 1.00 0.40 H new ATOM 0 HA PHE A 80 -14.045 -6.196 -6.218 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -12.306 -6.947 -4.707 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.715 -5.592 -5.649 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.243 -3.192 -4.406 1.00 1.01 H new ATOM 0 HD2 PHE A 80 -11.725 -6.953 -2.477 1.00 0.89 H new ATOM 0 HE1 PHE A 80 -11.621 -2.041 -2.329 1.00 1.28 H new ATOM 0 HE2 PHE A 80 -11.104 -5.800 -0.402 1.00 1.19 H new ATOM 0 HZ PHE A 80 -11.042 -3.342 -0.328 1.00 1.31 H new ATOM 1156 N SER A 81 -14.958 -7.174 -3.930 1.00 0.50 N ATOM 1157 CA SER A 81 -15.690 -7.598 -2.756 1.00 0.55 C ATOM 1158 C SER A 81 -14.694 -7.870 -1.639 1.00 0.52 C ATOM 1159 O SER A 81 -13.769 -8.662 -1.817 1.00 0.54 O ATOM 1160 CB SER A 81 -16.510 -8.855 -3.053 1.00 0.69 C ATOM 1161 OG SER A 81 -17.393 -8.645 -4.144 1.00 1.17 O ATOM 0 H SER A 81 -14.583 -7.936 -4.495 1.00 0.50 H new ATOM 0 HA SER A 81 -16.383 -6.813 -2.455 1.00 0.55 H new ATOM 0 HB2 SER A 81 -15.840 -9.685 -3.278 1.00 0.69 H new ATOM 0 HB3 SER A 81 -17.081 -9.137 -2.169 1.00 0.69 H new ATOM 0 HG SER A 81 -17.904 -9.464 -4.314 1.00 1.17 H new ATOM 1167 N SER A 82 -14.865 -7.177 -0.518 1.00 0.59 N ATOM 1168 CA SER A 82 -13.976 -7.319 0.632 1.00 0.63 C ATOM 1169 C SER A 82 -13.724 -8.789 0.964 1.00 0.59 C ATOM 1170 O SER A 82 -14.660 -9.553 1.204 1.00 0.63 O ATOM 1171 CB SER A 82 -14.589 -6.598 1.827 1.00 0.77 C ATOM 1172 OG SER A 82 -15.980 -6.858 1.888 1.00 1.19 O ATOM 0 H SER A 82 -15.619 -6.504 -0.380 1.00 0.59 H new ATOM 0 HA SER A 82 -13.012 -6.872 0.388 1.00 0.63 H new ATOM 0 HB2 SER A 82 -14.108 -6.929 2.748 1.00 0.77 H new ATOM 0 HB3 SER A 82 -14.414 -5.525 1.744 1.00 0.77 H new ATOM 0 HG SER A 82 -16.146 -7.802 1.683 1.00 1.19 H new ATOM 1178 N GLY A 83 -12.457 -9.167 0.972 1.00 0.58 N ATOM 1179 CA GLY A 83 -12.090 -10.551 1.163 1.00 0.62 C ATOM 1180 C GLY A 83 -11.435 -11.112 -0.079 1.00 0.64 C ATOM 1181 O GLY A 83 -11.354 -12.326 -0.259 1.00 0.79 O ATOM 0 H GLY A 83 -11.669 -8.532 0.848 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.408 -10.637 2.009 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -12.977 -11.136 1.407 1.00 0.62 H new ATOM 1185 N GLU A 84 -10.978 -10.218 -0.949 1.00 0.58 N ATOM 1186 CA GLU A 84 -10.358 -10.620 -2.196 1.00 0.62 C ATOM 1187 C GLU A 84 -8.886 -10.217 -2.235 1.00 0.58 C ATOM 1188 O GLU A 84 -8.112 -10.744 -3.038 1.00 0.87 O ATOM 1189 CB GLU A 84 -11.104 -9.986 -3.372 1.00 0.73 C ATOM 1190 CG GLU A 84 -10.620 -10.461 -4.731 1.00 1.17 C ATOM 1191 CD GLU A 84 -11.272 -9.713 -5.870 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -12.347 -10.147 -6.332 1.00 1.43 O ATOM 1193 OE2 GLU A 84 -10.711 -8.688 -6.314 1.00 1.55 O ATOM 0 H GLU A 84 -11.028 -9.209 -0.809 1.00 0.58 H new ATOM 0 HA GLU A 84 -10.414 -11.706 -2.271 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -12.167 -10.207 -3.278 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -10.997 -8.903 -3.317 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -9.539 -10.338 -4.791 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -10.826 -11.526 -4.835 1.00 1.17 H new ATOM 1200 N MET A 85 -8.483 -9.301 -1.360 1.00 0.47 N ATOM 1201 CA MET A 85 -7.133 -8.758 -1.433 1.00 0.44 C ATOM 1202 C MET A 85 -6.155 -9.635 -0.673 1.00 0.47 C ATOM 1203 O MET A 85 -5.601 -10.590 -1.220 1.00 0.73 O ATOM 1204 CB MET A 85 -7.081 -7.334 -0.882 1.00 0.39 C ATOM 1205 CG MET A 85 -7.883 -6.329 -1.685 1.00 0.37 C ATOM 1206 SD MET A 85 -7.309 -6.182 -3.388 1.00 0.39 S ATOM 1207 CE MET A 85 -8.466 -4.973 -4.022 1.00 0.39 C ATOM 0 H MET A 85 -9.059 -8.926 -0.607 1.00 0.47 H new ATOM 0 HA MET A 85 -6.847 -8.737 -2.485 1.00 0.44 H new ATOM 0 HB2 MET A 85 -7.449 -7.339 0.144 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.042 -7.008 -0.846 1.00 0.39 H new ATOM 0 HG2 MET A 85 -8.932 -6.624 -1.684 1.00 0.37 H new ATOM 0 HG3 MET A 85 -7.825 -5.354 -1.201 1.00 0.37 H new ATOM 0 HE1 MET A 85 -8.747 -5.238 -5.041 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.356 -4.956 -3.393 1.00 0.39 H new ATOM 0 HE3 MET A 85 -8.001 -3.987 -4.018 1.00 0.39 H new ATOM 1217 N MET A 86 -5.954 -9.300 0.586 1.00 0.33 N ATOM 1218 CA MET A 86 -5.101 -10.062 1.479 1.00 0.35 C ATOM 1219 C MET A 86 -5.733 -10.014 2.851 1.00 0.40 C ATOM 1220 O MET A 86 -6.475 -9.077 3.133 1.00 0.76 O ATOM 1221 CB MET A 86 -3.691 -9.466 1.552 1.00 0.33 C ATOM 1222 CG MET A 86 -3.031 -9.251 0.201 1.00 0.43 C ATOM 1223 SD MET A 86 -1.495 -8.314 0.321 1.00 1.16 S ATOM 1224 CE MET A 86 -1.062 -8.174 -1.409 1.00 1.39 C ATOM 0 H MET A 86 -6.382 -8.484 1.023 1.00 0.33 H new ATOM 0 HA MET A 86 -5.008 -11.084 1.112 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.740 -8.511 2.075 1.00 0.33 H new ATOM 0 HB3 MET A 86 -3.061 -10.125 2.150 1.00 0.33 H new ATOM 0 HG2 MET A 86 -2.827 -10.219 -0.258 1.00 0.43 H new ATOM 0 HG3 MET A 86 -3.722 -8.725 -0.458 1.00 0.43 H new ATOM 0 HE1 MET A 86 -0.130 -7.617 -1.507 1.00 1.39 H new ATOM 0 HE2 MET A 86 -0.936 -9.170 -1.834 1.00 1.39 H new ATOM 0 HE3 MET A 86 -1.855 -7.649 -1.941 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.462 -10.983 3.700 1.00 0.32 N ATOM 1235 CA LYS A 87 -6.101 -11.013 5.008 1.00 0.32 C ATOM 1236 C LYS A 87 -5.822 -9.734 5.817 1.00 0.27 C ATOM 1237 O LYS A 87 -6.768 -9.075 6.254 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.700 -12.263 5.798 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.232 -13.558 5.203 1.00 0.97 C ATOM 1240 CD LYS A 87 -7.746 -13.523 5.057 1.00 1.46 C ATOM 1241 CE LYS A 87 -8.300 -14.861 4.605 1.00 2.00 C ATOM 1242 NZ LYS A 87 -8.126 -15.914 5.639 1.00 2.37 N ATOM 0 H LYS A 87 -4.815 -11.750 3.517 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.176 -11.057 4.834 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -4.613 -12.317 5.849 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -6.063 -12.167 6.821 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -5.775 -13.726 4.228 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -5.946 -14.396 5.838 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -8.197 -13.246 6.010 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -8.024 -12.753 4.338 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -9.359 -14.754 4.371 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -7.800 -15.169 3.687 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -8.729 -16.730 5.409 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -7.131 -16.215 5.664 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -8.396 -15.535 6.569 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.541 -9.331 6.007 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.217 -8.127 6.783 1.00 0.25 C ATOM 1258 C PRO A 88 -4.521 -6.850 6.004 1.00 0.22 C ATOM 1259 O PRO A 88 -4.859 -5.817 6.581 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.718 -8.265 7.035 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.213 -9.043 5.872 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.321 -9.988 5.487 1.00 0.27 C ATOM 0 HA PRO A 88 -4.805 -8.050 7.697 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.235 -7.290 7.100 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.520 -8.782 7.974 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -1.958 -8.383 5.043 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.307 -9.590 6.133 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.371 -10.127 4.407 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.178 -10.974 5.929 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.407 -6.943 4.685 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.724 -5.835 3.794 1.00 0.17 C ATOM 1272 C PHE A 89 -6.197 -5.476 3.946 1.00 0.18 C ATOM 1273 O PHE A 89 -6.540 -4.349 4.289 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.414 -6.260 2.352 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.591 -5.207 1.287 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.853 -4.774 0.914 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.489 -4.688 0.627 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -6.013 -3.837 -0.090 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.645 -3.760 -0.383 1.00 0.20 C ATOM 1280 CZ PHE A 89 -4.909 -3.333 -0.742 1.00 0.19 C ATOM 0 H PHE A 89 -4.093 -7.786 4.204 1.00 0.19 H new ATOM 0 HA PHE A 89 -4.126 -4.958 4.043 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.383 -6.613 2.315 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -5.051 -7.108 2.102 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.723 -5.173 1.414 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.497 -5.013 0.906 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -7.002 -3.501 -0.363 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.778 -3.367 -0.893 1.00 0.20 H new ATOM 0 HZ PHE A 89 -5.031 -2.606 -1.531 1.00 0.19 H new ATOM 1290 N GLU A 90 -7.048 -6.473 3.737 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.491 -6.310 3.837 1.00 0.24 C ATOM 1292 C GLU A 90 -8.885 -5.908 5.250 1.00 0.25 C ATOM 1293 O GLU A 90 -9.846 -5.163 5.454 1.00 0.27 O ATOM 1294 CB GLU A 90 -9.187 -7.616 3.469 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.395 -7.426 2.581 1.00 0.34 C ATOM 1296 CD GLU A 90 -10.011 -7.031 1.177 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -9.480 -5.923 0.994 1.00 1.78 O ATOM 1298 OE2 GLU A 90 -10.229 -7.847 0.255 1.00 2.12 O ATOM 0 H GLU A 90 -6.755 -7.419 3.493 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.799 -5.525 3.147 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.474 -8.269 2.965 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.494 -8.125 4.383 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -10.972 -8.350 2.552 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -11.042 -6.660 3.009 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.132 -6.411 6.223 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.364 -6.096 7.626 1.00 0.29 C ATOM 1307 C ASP A 91 -8.222 -4.601 7.869 1.00 0.25 C ATOM 1308 O ASP A 91 -8.908 -4.027 8.715 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.384 -6.864 8.515 1.00 0.35 C ATOM 1310 CG ASP A 91 -7.636 -6.637 9.991 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -8.597 -7.222 10.530 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -6.868 -5.886 10.626 1.00 0.54 O ATOM 0 H ASP A 91 -7.349 -7.044 6.062 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.381 -6.397 7.879 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -7.460 -7.929 8.297 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.365 -6.561 8.273 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.339 -3.972 7.112 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.124 -2.544 7.224 1.00 0.19 C ATOM 1319 C ALA A 92 -8.145 -1.771 6.401 1.00 0.18 C ATOM 1320 O ALA A 92 -8.544 -0.673 6.775 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.716 -2.186 6.792 1.00 0.22 C ATOM 0 H ALA A 92 -6.758 -4.432 6.411 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.251 -2.264 8.270 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.570 -1.110 6.882 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -4.998 -2.704 7.428 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.566 -2.487 5.755 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.592 -2.362 5.297 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.522 -1.689 4.396 1.00 0.19 C ATOM 1329 C VAL A 93 -10.876 -1.539 5.072 1.00 0.19 C ATOM 1330 O VAL A 93 -11.546 -0.515 4.945 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.716 -2.450 3.063 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.515 -1.605 2.087 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.384 -2.854 2.449 1.00 0.21 C ATOM 0 H VAL A 93 -8.326 -3.303 5.005 1.00 0.18 H new ATOM 0 HA VAL A 93 -9.090 -0.715 4.168 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.270 -3.364 3.279 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.644 -2.152 1.153 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.492 -1.381 2.515 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -9.983 -0.674 1.891 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.561 -3.386 1.514 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.789 -1.962 2.252 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.847 -3.503 3.140 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.260 -2.566 5.814 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.515 -2.550 6.542 1.00 0.27 C ATOM 1345 C ARG A 94 -12.378 -1.745 7.831 1.00 0.25 C ATOM 1346 O ARG A 94 -13.336 -1.589 8.585 1.00 0.32 O ATOM 1347 CB ARG A 94 -12.981 -3.988 6.832 1.00 0.41 C ATOM 1348 CG ARG A 94 -12.028 -4.823 7.689 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.172 -4.513 9.171 1.00 1.03 C ATOM 1350 NE ARG A 94 -11.269 -5.307 10.001 1.00 0.98 N ATOM 1351 CZ ARG A 94 -11.500 -5.593 11.283 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -12.623 -5.186 11.866 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -10.615 -6.299 11.974 1.00 1.70 N ATOM 0 H ARG A 94 -10.718 -3.422 5.927 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.272 -2.065 5.925 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -13.949 -3.945 7.331 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.134 -4.501 5.883 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -12.223 -5.882 7.520 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -11.001 -4.634 7.378 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -11.976 -3.454 9.338 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -13.201 -4.699 9.479 1.00 1.03 H new ATOM 0 HE ARG A 94 -10.413 -5.663 9.576 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -13.311 -4.654 11.333 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -12.797 -5.406 12.847 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -9.758 -6.623 11.525 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -10.791 -6.518 12.955 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.176 -1.236 8.079 1.00 0.23 N ATOM 1368 CA ALA A 95 -10.896 -0.496 9.301 1.00 0.25 C ATOM 1369 C ALA A 95 -10.842 1.005 9.039 1.00 0.26 C ATOM 1370 O ALA A 95 -10.437 1.782 9.906 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.591 -0.971 9.916 1.00 0.26 C ATOM 0 H ALA A 95 -10.380 -1.323 7.448 1.00 0.23 H new ATOM 0 HA ALA A 95 -11.709 -0.685 10.003 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.393 -0.409 10.829 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -9.665 -2.033 10.152 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -8.777 -0.812 9.209 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.247 1.408 7.845 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.255 2.814 7.473 1.00 0.19 C ATOM 1379 C LEU A 96 -12.416 3.124 6.550 1.00 0.21 C ATOM 1380 O LEU A 96 -12.820 2.292 5.745 1.00 0.28 O ATOM 1381 CB LEU A 96 -9.930 3.208 6.810 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.307 2.169 5.877 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -9.934 2.235 4.497 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.809 2.370 5.786 1.00 0.28 C ATOM 0 H LEU A 96 -11.576 0.778 7.114 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.375 3.400 8.384 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.090 4.125 6.243 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.210 3.440 7.595 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.502 1.180 6.292 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.474 1.486 3.852 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -11.004 2.040 4.574 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -9.776 3.226 4.072 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.381 1.622 5.118 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.599 3.366 5.397 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.367 2.266 6.777 1.00 0.28 H new ATOM 1396 N LYS A 97 -12.954 4.323 6.680 1.00 0.24 N ATOM 1397 CA LYS A 97 -14.044 4.771 5.833 1.00 0.31 C ATOM 1398 C LYS A 97 -13.460 5.475 4.613 1.00 0.28 C ATOM 1399 O LYS A 97 -12.253 5.712 4.563 1.00 0.25 O ATOM 1400 CB LYS A 97 -14.968 5.712 6.625 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.249 6.112 5.902 1.00 0.62 C ATOM 1402 CD LYS A 97 -17.154 4.916 5.650 1.00 0.97 C ATOM 1403 CE LYS A 97 -18.442 5.332 4.957 1.00 1.02 C ATOM 1404 NZ LYS A 97 -19.340 4.174 4.708 1.00 1.61 N ATOM 0 H LYS A 97 -12.650 5.009 7.371 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.638 3.920 5.501 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.234 5.229 7.565 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.413 6.616 6.877 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -16.784 6.854 6.495 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -15.998 6.584 4.952 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -16.629 4.183 5.037 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.389 4.430 6.597 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -18.962 6.068 5.570 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -18.204 5.816 4.010 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -20.206 4.502 4.234 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -18.854 3.482 4.102 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -19.589 3.727 5.613 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.294 5.754 3.618 1.00 0.32 N ATOM 1419 CA ILE A 98 -13.882 6.545 2.462 1.00 0.32 C ATOM 1420 C ILE A 98 -13.097 7.782 2.890 1.00 0.32 C ATOM 1421 O ILE A 98 -13.611 8.648 3.596 1.00 0.37 O ATOM 1422 CB ILE A 98 -15.101 6.987 1.627 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -15.890 5.763 1.162 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.655 7.825 0.435 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -17.162 6.101 0.420 1.00 0.90 C ATOM 0 H ILE A 98 -15.265 5.443 3.588 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.241 5.908 1.853 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.750 7.602 2.251 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -15.254 5.157 0.516 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -16.138 5.152 2.030 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.528 8.128 -0.143 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -14.129 8.711 0.790 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -13.989 7.236 -0.195 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -17.665 5.181 0.123 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -17.819 6.681 1.069 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -16.921 6.686 -0.468 1.00 0.90 H new ATOM 1437 N GLY A 99 -11.843 7.833 2.475 1.00 0.30 N ATOM 1438 CA GLY A 99 -11.005 8.974 2.786 1.00 0.32 C ATOM 1439 C GLY A 99 -10.010 8.697 3.898 1.00 0.32 C ATOM 1440 O GLY A 99 -9.094 9.490 4.123 1.00 0.46 O ATOM 0 H GLY A 99 -11.387 7.104 1.927 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.464 9.275 1.889 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.637 9.814 3.073 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.177 7.582 4.597 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.274 7.240 5.689 1.00 0.19 C ATOM 1446 C ASP A 100 -8.159 6.339 5.200 1.00 0.15 C ATOM 1447 O ASP A 100 -8.371 5.491 4.331 1.00 0.15 O ATOM 1448 CB ASP A 100 -10.012 6.558 6.842 1.00 0.22 C ATOM 1449 CG ASP A 100 -10.840 7.518 7.663 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.253 8.287 8.457 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.081 7.494 7.541 1.00 0.37 O ATOM 0 H ASP A 100 -10.921 6.905 4.430 1.00 0.21 H new ATOM 0 HA ASP A 100 -8.850 8.174 6.058 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.660 5.779 6.441 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.287 6.066 7.490 1.00 0.22 H new ATOM 1456 N ILE A 101 -6.976 6.531 5.762 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.806 5.750 5.387 1.00 0.16 C ATOM 1458 C ILE A 101 -5.387 4.861 6.553 1.00 0.16 C ATOM 1459 O ILE A 101 -5.567 5.225 7.718 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.618 6.660 5.003 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -5.096 7.840 4.154 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.566 5.857 4.246 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -4.012 8.853 3.856 1.00 0.21 C ATOM 0 H ILE A 101 -6.799 7.227 6.486 1.00 0.18 H new ATOM 0 HA ILE A 101 -6.074 5.143 4.522 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.172 7.052 5.917 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.496 7.461 3.213 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -5.916 8.339 4.670 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.733 6.508 3.980 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.205 5.045 4.877 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -4.007 5.443 3.339 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.425 9.660 3.251 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.628 9.261 4.791 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.201 8.369 3.311 1.00 0.21 H new ATOM 1475 N SER A 102 -4.843 3.701 6.239 1.00 0.16 N ATOM 1476 CA SER A 102 -4.408 2.759 7.251 1.00 0.19 C ATOM 1477 C SER A 102 -2.956 3.021 7.630 1.00 0.18 C ATOM 1478 O SER A 102 -2.206 3.635 6.865 1.00 0.22 O ATOM 1479 CB SER A 102 -4.553 1.328 6.724 1.00 0.25 C ATOM 1480 OG SER A 102 -3.680 1.092 5.630 1.00 0.92 O ATOM 0 H SER A 102 -4.691 3.387 5.281 1.00 0.16 H new ATOM 0 HA SER A 102 -5.031 2.884 8.136 1.00 0.19 H new ATOM 0 HB2 SER A 102 -4.337 0.620 7.524 1.00 0.25 H new ATOM 0 HB3 SER A 102 -5.584 1.155 6.414 1.00 0.25 H new ATOM 0 HG SER A 102 -3.177 0.266 5.785 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.546 2.583 8.826 1.00 0.21 N ATOM 1487 CA PRO A 103 -1.144 2.605 9.224 1.00 0.23 C ATOM 1488 C PRO A 103 -0.353 1.509 8.514 1.00 0.20 C ATOM 1489 O PRO A 103 -0.935 0.696 7.792 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.194 2.345 10.728 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.449 1.569 10.934 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.418 2.048 9.889 1.00 0.28 C ATOM 0 HA PRO A 103 -0.650 3.542 8.968 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.322 1.784 11.062 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -1.208 3.278 11.291 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.266 0.499 10.833 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -2.846 1.731 11.936 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -4.045 1.236 9.522 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -4.086 2.814 10.283 1.00 0.28 H new ATOM 1500 N ILE A 104 0.963 1.510 8.700 1.00 0.17 N ATOM 1501 CA ILE A 104 1.834 0.469 8.144 1.00 0.15 C ATOM 1502 C ILE A 104 1.277 -0.935 8.387 1.00 0.14 C ATOM 1503 O ILE A 104 1.184 -1.395 9.526 1.00 0.20 O ATOM 1504 CB ILE A 104 3.250 0.532 8.753 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.769 1.972 8.766 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.198 -0.375 7.977 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.768 2.633 7.404 1.00 0.17 C ATOM 0 H ILE A 104 1.457 2.224 9.235 1.00 0.17 H new ATOM 0 HA ILE A 104 1.880 0.661 7.072 1.00 0.15 H new ATOM 0 HB ILE A 104 3.200 0.181 9.784 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.157 2.563 9.447 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.784 1.979 9.162 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.194 -0.322 8.417 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.836 -1.402 8.021 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.242 -0.051 6.937 1.00 0.15 H new ATOM 0 HD11 ILE A 104 4.149 3.650 7.493 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.404 2.066 6.724 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.751 2.659 7.013 1.00 0.17 H new ATOM 1519 N VAL A 105 0.896 -1.601 7.308 1.00 0.13 N ATOM 1520 CA VAL A 105 0.458 -2.987 7.369 1.00 0.15 C ATOM 1521 C VAL A 105 1.474 -3.880 6.675 1.00 0.15 C ATOM 1522 O VAL A 105 1.724 -3.730 5.480 1.00 0.17 O ATOM 1523 CB VAL A 105 -0.921 -3.175 6.696 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.326 -4.642 6.668 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.975 -2.352 7.410 1.00 1.04 C ATOM 0 H VAL A 105 0.881 -1.199 6.371 1.00 0.13 H new ATOM 0 HA VAL A 105 0.371 -3.261 8.420 1.00 0.15 H new ATOM 0 HB VAL A 105 -0.841 -2.828 5.666 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.300 -4.741 6.189 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -0.586 -5.213 6.108 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -1.383 -5.023 7.688 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.940 -2.496 6.924 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -2.042 -2.670 8.450 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.702 -1.298 7.370 1.00 1.04 H new ATOM 1535 N GLN A 106 2.074 -4.791 7.418 1.00 0.18 N ATOM 1536 CA GLN A 106 3.016 -5.722 6.833 1.00 0.20 C ATOM 1537 C GLN A 106 2.283 -6.931 6.272 1.00 0.23 C ATOM 1538 O GLN A 106 1.350 -7.450 6.885 1.00 0.29 O ATOM 1539 CB GLN A 106 4.062 -6.174 7.850 1.00 0.24 C ATOM 1540 CG GLN A 106 5.018 -5.078 8.292 1.00 0.25 C ATOM 1541 CD GLN A 106 6.258 -5.636 8.964 1.00 0.30 C ATOM 1542 OE1 GLN A 106 7.283 -5.915 8.170 1.00 0.55 O flip ATOM 1543 NE2 GLN A 106 6.295 -5.820 10.183 1.00 0.28 N flip ATOM 0 H GLN A 106 1.926 -4.905 8.421 1.00 0.18 H new ATOM 0 HA GLN A 106 3.533 -5.205 6.024 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.551 -6.570 8.728 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.640 -6.993 7.421 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.312 -4.484 7.427 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.505 -4.406 8.980 1.00 0.25 H new ATOM 0 HE21 GLN A 106 5.484 -5.592 10.758 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.137 -6.200 10.616 1.00 0.28 H new ATOM 1552 N THR A 107 2.705 -7.361 5.103 1.00 0.22 N ATOM 1553 CA THR A 107 2.111 -8.499 4.437 1.00 0.27 C ATOM 1554 C THR A 107 3.173 -9.544 4.135 1.00 0.34 C ATOM 1555 O THR A 107 4.317 -9.411 4.577 1.00 0.37 O ATOM 1556 CB THR A 107 1.430 -8.071 3.129 1.00 0.26 C ATOM 1557 OG1 THR A 107 2.322 -7.243 2.371 1.00 0.22 O ATOM 1558 CG2 THR A 107 0.137 -7.320 3.406 1.00 0.27 C ATOM 0 H THR A 107 3.472 -6.930 4.586 1.00 0.22 H new ATOM 0 HA THR A 107 1.360 -8.925 5.102 1.00 0.27 H new ATOM 0 HB THR A 107 1.187 -8.967 2.558 1.00 0.26 H new ATOM 0 HG1 THR A 107 1.821 -6.501 1.973 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.324 -7.029 2.462 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.546 -7.964 3.960 1.00 0.27 H new ATOM 0 HG23 THR A 107 0.353 -6.428 3.994 1.00 0.27 H new ATOM 1566 N ASP A 108 2.806 -10.569 3.388 1.00 0.40 N ATOM 1567 CA ASP A 108 3.752 -11.607 3.010 1.00 0.49 C ATOM 1568 C ASP A 108 4.821 -11.057 2.078 1.00 0.45 C ATOM 1569 O ASP A 108 6.010 -11.328 2.256 1.00 0.53 O ATOM 1570 CB ASP A 108 3.036 -12.784 2.342 1.00 0.60 C ATOM 1571 CG ASP A 108 2.290 -13.647 3.335 1.00 1.37 C ATOM 1572 OD1 ASP A 108 2.924 -14.507 3.983 1.00 2.16 O ATOM 1573 OD2 ASP A 108 1.058 -13.474 3.465 1.00 1.67 O ATOM 0 H ASP A 108 1.861 -10.707 3.030 1.00 0.40 H new ATOM 0 HA ASP A 108 4.232 -11.961 3.922 1.00 0.49 H new ATOM 0 HB2 ASP A 108 2.336 -12.404 1.598 1.00 0.60 H new ATOM 0 HB3 ASP A 108 3.766 -13.395 1.811 1.00 0.60 H new ATOM 1578 N SER A 109 4.405 -10.267 1.099 1.00 0.39 N ATOM 1579 CA SER A 109 5.328 -9.801 0.079 1.00 0.43 C ATOM 1580 C SER A 109 5.892 -8.413 0.396 1.00 0.53 C ATOM 1581 O SER A 109 6.686 -7.880 -0.374 1.00 1.09 O ATOM 1582 CB SER A 109 4.656 -9.798 -1.294 1.00 0.47 C ATOM 1583 OG SER A 109 5.630 -9.778 -2.322 1.00 0.60 O ATOM 0 H SER A 109 3.445 -9.939 0.991 1.00 0.39 H new ATOM 0 HA SER A 109 6.166 -10.498 0.066 1.00 0.43 H new ATOM 0 HB2 SER A 109 4.026 -10.681 -1.399 1.00 0.47 H new ATOM 0 HB3 SER A 109 4.005 -8.929 -1.385 1.00 0.47 H new ATOM 0 HG SER A 109 6.526 -9.793 -1.924 1.00 0.60 H new ATOM 1589 N GLY A 110 5.471 -7.809 1.499 1.00 0.22 N ATOM 1590 CA GLY A 110 6.119 -6.607 1.946 1.00 0.19 C ATOM 1591 C GLY A 110 5.247 -5.767 2.845 1.00 0.16 C ATOM 1592 O GLY A 110 4.711 -6.245 3.839 1.00 0.24 O ATOM 0 H GLY A 110 4.699 -8.131 2.083 1.00 0.22 H new ATOM 0 HA2 GLY A 110 7.033 -6.870 2.478 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.414 -6.016 1.079 1.00 0.19 H new ATOM 1596 N LEU A 111 5.077 -4.528 2.455 1.00 0.12 N ATOM 1597 CA LEU A 111 4.433 -3.512 3.286 1.00 0.11 C ATOM 1598 C LEU A 111 3.312 -2.819 2.522 1.00 0.11 C ATOM 1599 O LEU A 111 3.412 -2.627 1.315 1.00 0.13 O ATOM 1600 CB LEU A 111 5.470 -2.475 3.721 1.00 0.12 C ATOM 1601 CG LEU A 111 6.069 -2.654 5.120 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.729 -4.015 5.272 1.00 0.15 C ATOM 1603 CD2 LEU A 111 7.075 -1.551 5.391 1.00 0.19 C ATOM 0 H LEU A 111 5.381 -4.182 1.545 1.00 0.12 H new ATOM 0 HA LEU A 111 4.006 -4.000 4.162 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.285 -2.483 2.997 1.00 0.12 H new ATOM 0 HB3 LEU A 111 5.008 -1.489 3.671 1.00 0.12 H new ATOM 0 HG LEU A 111 5.259 -2.595 5.847 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.143 -4.108 6.276 1.00 0.15 H new ATOM 0 HD12 LEU A 111 5.989 -4.798 5.111 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.529 -4.115 4.539 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.499 -1.682 6.387 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.872 -1.595 4.649 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.578 -0.583 5.332 1.00 0.19 H new ATOM 1615 N HIS A 112 2.248 -2.444 3.223 1.00 0.11 N ATOM 1616 CA HIS A 112 1.101 -1.805 2.581 1.00 0.12 C ATOM 1617 C HIS A 112 0.465 -0.735 3.457 1.00 0.14 C ATOM 1618 O HIS A 112 0.402 -0.867 4.676 1.00 0.22 O ATOM 1619 CB HIS A 112 0.016 -2.831 2.244 1.00 0.14 C ATOM 1620 CG HIS A 112 0.348 -3.741 1.108 1.00 0.16 C ATOM 1621 ND1 HIS A 112 0.979 -4.933 1.089 1.00 0.19 N flip ATOM 1622 CD2 HIS A 112 -0.021 -3.482 -0.193 1.00 0.18 C flip ATOM 1623 CE1 HIS A 112 0.975 -5.379 -0.209 1.00 0.22 C flip ATOM 1624 NE2 HIS A 112 0.365 -4.485 -0.962 1.00 0.21 N flip ATOM 0 H HIS A 112 2.154 -2.570 4.231 1.00 0.11 H new ATOM 0 HA HIS A 112 1.491 -1.343 1.674 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.181 -3.435 3.130 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.906 -2.300 2.009 1.00 0.14 H new ATOM 0 HD2 HIS A 112 -0.543 -2.599 -0.531 1.00 0.18 H new ATOM 0 HE1 HIS A 112 1.401 -6.309 -0.556 1.00 0.22 H new ATOM 0 HE2 HIS A 112 0.216 -4.556 -1.969 1.00 0.21 H new ATOM 1633 N ILE A 113 0.017 0.333 2.813 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.952 1.248 3.396 1.00 0.13 C ATOM 1635 C ILE A 113 -2.103 1.397 2.414 1.00 0.12 C ATOM 1636 O ILE A 113 -1.884 1.401 1.199 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.359 2.636 3.700 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.395 3.161 2.480 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.550 2.564 4.918 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.375 4.661 2.347 1.00 0.17 C ATOM 0 H ILE A 113 0.315 0.589 1.872 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.282 0.833 4.348 1.00 0.13 H new ATOM 0 HB ILE A 113 -1.169 3.330 3.925 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.431 2.825 2.533 1.00 0.15 H new ATOM 0 HG13 ILE A 113 -0.037 2.721 1.581 1.00 0.15 H new ATOM 0 HG21 ILE A 113 0.963 3.552 5.123 1.00 0.15 H new ATOM 0 HG22 ILE A 113 -0.024 2.225 5.781 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.363 1.864 4.725 1.00 0.15 H new ATOM 0 HD11 ILE A 113 0.931 4.955 1.457 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.656 5.005 2.261 1.00 0.17 H new ATOM 0 HD13 ILE A 113 0.835 5.110 3.227 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.322 1.472 2.920 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.489 1.528 2.055 1.00 0.11 C ATOM 1654 C ILE A 114 -5.427 2.644 2.500 1.00 0.11 C ATOM 1655 O ILE A 114 -5.487 2.974 3.681 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.276 0.188 2.042 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.340 -1.025 1.955 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.248 0.163 0.875 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.857 -1.535 3.298 1.00 0.18 C ATOM 0 H ILE A 114 -3.529 1.495 3.918 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.123 1.721 1.047 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.824 0.124 2.982 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.857 -1.833 1.437 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.475 -0.759 1.347 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.794 -0.781 0.876 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.952 0.990 0.970 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.697 0.262 -0.060 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.201 -2.392 3.147 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.309 -0.745 3.812 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.713 -1.835 3.903 1.00 0.18 H new ATOM 1671 N LYS A 115 -6.129 3.240 1.548 1.00 0.13 N ATOM 1672 CA LYS A 115 -7.169 4.208 1.856 1.00 0.14 C ATOM 1673 C LYS A 115 -8.427 3.856 1.064 1.00 0.15 C ATOM 1674 O LYS A 115 -8.338 3.464 -0.101 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.710 5.637 1.528 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.756 5.985 0.046 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.421 7.447 -0.200 1.00 0.24 C ATOM 1678 CE LYS A 115 -6.864 7.896 -1.581 1.00 0.35 C ATOM 1679 NZ LYS A 115 -6.709 9.362 -1.771 1.00 0.61 N ATOM 0 H LYS A 115 -5.996 3.069 0.551 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.385 4.170 2.924 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.337 6.342 2.074 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.690 5.771 1.889 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -6.053 5.354 -0.498 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.749 5.768 -0.348 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -6.905 8.064 0.557 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.347 7.598 -0.095 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -6.281 7.370 -2.337 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -7.907 7.620 -1.734 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -7.023 9.623 -2.727 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -7.285 9.866 -1.067 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -5.710 9.624 -1.652 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.592 3.972 1.685 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.833 3.623 1.004 1.00 0.17 C ATOM 1695 C ARG A 116 -11.350 4.781 0.156 1.00 0.19 C ATOM 1696 O ARG A 116 -11.340 5.934 0.582 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.914 3.163 1.993 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.306 3.170 1.383 1.00 0.28 C ATOM 1699 CD ARG A 116 -14.215 2.087 1.929 1.00 0.49 C ATOM 1700 NE ARG A 116 -14.285 2.036 3.381 1.00 0.79 N ATOM 1701 CZ ARG A 116 -15.351 1.577 4.040 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -16.445 1.232 3.371 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -15.331 1.470 5.361 1.00 1.87 N ATOM 0 H ARG A 116 -9.705 4.300 2.644 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.604 2.789 0.341 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.679 2.157 2.340 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.901 3.813 2.868 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.766 4.142 1.560 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -13.221 3.050 0.303 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -15.219 2.240 1.534 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -13.871 1.121 1.560 1.00 0.49 H new ATOM 0 HE ARG A 116 -13.484 2.366 3.919 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -16.470 1.318 2.355 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -17.260 0.881 3.873 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -14.496 1.739 5.882 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -16.150 1.118 5.857 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.789 4.448 -1.051 1.00 0.22 N ATOM 1718 CA LEU A 117 -12.372 5.414 -1.973 1.00 0.27 C ATOM 1719 C LEU A 117 -13.882 5.217 -2.079 1.00 0.29 C ATOM 1720 O LEU A 117 -14.624 6.155 -2.373 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.748 5.267 -3.365 1.00 0.32 C ATOM 1722 CG LEU A 117 -10.378 5.899 -3.576 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -10.266 7.214 -2.848 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -9.285 4.955 -3.142 1.00 0.80 C ATOM 0 H LEU A 117 -11.751 3.498 -1.419 1.00 0.22 H new ATOM 0 HA LEU A 117 -12.168 6.412 -1.585 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.670 4.204 -3.591 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -12.436 5.698 -4.092 1.00 0.32 H new ATOM 0 HG LEU A 117 -10.261 6.096 -4.642 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -9.277 7.641 -3.018 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -11.026 7.901 -3.219 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.413 7.052 -1.780 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -8.314 5.425 -3.301 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.406 4.720 -2.085 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -9.344 4.037 -3.727 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.329 3.987 -1.858 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.746 3.660 -1.920 1.00 0.30 C ATOM 1738 C ALA A 118 -16.067 2.508 -0.981 1.00 0.30 C ATOM 1739 O ALA A 118 -15.574 1.391 -1.227 1.00 1.10 O ATOM 1740 CB ALA A 118 -16.158 3.316 -3.344 1.00 0.39 C ATOM 1741 OXT ALA A 118 -16.811 2.721 -0.003 1.00 1.09 O ATOM 0 H ALA A 118 -13.726 3.196 -1.633 1.00 0.26 H new ATOM 0 HA ALA A 118 -16.313 4.535 -1.602 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.221 3.075 -3.367 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -15.965 4.169 -3.995 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.584 2.457 -3.692 1.00 0.39 H new