USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 905 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 99 TYR OH : rot 30:sc= 0.975 USER MOD Set 1.2: A 114 THR OG1 : rot 140:sc= 1.57 USER MOD Set 2.1: A 85 TYR OH : rot -32:sc= 2.02 USER MOD Set 2.2: A 93 TYR OH : rot -120:sc= 1.38 USER MOD Set 3.1: A 40 GLN : amide:sc= -4.4 K(o=-4.1,f=-2.9) USER MOD Set 3.2: A 75 TYR OH : rot 0:sc= 0.317 USER MOD Set 4.1: A 46 LYS NZ :NH3+ 155:sc= 0.547 (180deg=0) USER MOD Set 4.2: A 48 ASN : amide:sc= -2.14 K(o=-1.6,f=-9!) USER MOD Set 5.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 39 TYR OH : rot 180:sc=-0.00125 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.456 K(o=-0.46,f=-3.6!) USER MOD Single : A 36 TYR OH : rot 173:sc= 0.653 USER MOD Single : A 38 MET CE :methyl -161:sc= -2.83 (180deg=-4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 0.0625 (180deg=0.058) USER MOD Single : A 72 GLN : amide:sc= -1.29 K(o=-1.3,f=-6.5!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-0.11) USER MOD Single : A 77 HIS : no HE2:sc= -2.43 K(o=-2.4,f=-5.9!) USER MOD Single : A 80 GLN : amide:sc= -1.86 K(o=-1.9,f=-2.9) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.031) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0325 K(o=-0.033,f=-0.82) USER MOD Single : A 102 SER OG : rot -93:sc= -0.18 USER MOD Single : A 108 CYS SG : rot 42:sc= -0.0432 USER MOD Single : A 109 TYR OH : rot -31:sc= 0.0903 USER MOD Single : A 121 ASN : amide:sc=-0.00556 X(o=-0.0056,f=-0.16) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= -1.35 USER MOD Single : A 125 HIS : no HD1:sc= -0.986 X(o=-0.99,f=-1.1) USER MOD Single : A 127 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.6!) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 7 -7.479 7.620 5.647 1.00 14.21 N ATOM 84 CA ASP A 7 -8.225 6.587 6.356 1.00 22.42 C ATOM 85 C ASP A 7 -8.817 5.576 5.379 1.00 43.13 C ATOM 86 O ASP A 7 -9.643 4.743 5.754 1.00 2.25 O ATOM 87 CB ASP A 7 -9.338 7.216 7.195 1.00 31.34 C ATOM 88 CG ASP A 7 -10.587 7.498 6.383 1.00 64.32 C ATOM 89 OD1 ASP A 7 -10.451 7.926 5.218 1.00 75.33 O ATOM 90 OD2 ASP A 7 -11.699 7.291 6.912 1.00 2.24 O ATOM 0 HA ASP A 7 -7.534 6.064 7.017 1.00 22.42 H new ATOM 0 HB2 ASP A 7 -9.588 6.549 8.020 1.00 31.34 H new ATOM 0 HB3 ASP A 7 -8.976 8.146 7.634 1.00 31.34 H new ATOM 95 N LEU A 8 -8.390 5.656 4.123 1.00 33.42 N ATOM 96 CA LEU A 8 -8.879 4.749 3.090 1.00 23.53 C ATOM 97 C LEU A 8 -8.433 3.317 3.368 1.00 63.51 C ATOM 98 O LEU A 8 -9.017 2.362 2.853 1.00 1.02 O ATOM 99 CB LEU A 8 -8.378 5.193 1.715 1.00 51.20 C ATOM 100 CG LEU A 8 -9.347 6.040 0.890 1.00 52.44 C ATOM 101 CD1 LEU A 8 -9.768 7.279 1.666 1.00 64.14 C ATOM 102 CD2 LEU A 8 -8.716 6.430 -0.439 1.00 73.03 C ATOM 0 H LEU A 8 -7.707 6.339 3.796 1.00 33.42 H new ATOM 0 HA LEU A 8 -9.969 4.780 3.100 1.00 23.53 H new ATOM 0 HB2 LEU A 8 -7.457 5.760 1.851 1.00 51.20 H new ATOM 0 HB3 LEU A 8 -8.123 4.304 1.139 1.00 51.20 H new ATOM 0 HG LEU A 8 -10.237 5.444 0.686 1.00 52.44 H new ATOM 0 HD11 LEU A 8 -10.458 7.869 1.063 1.00 64.14 H new ATOM 0 HD12 LEU A 8 -10.260 6.979 2.591 1.00 64.14 H new ATOM 0 HD13 LEU A 8 -8.888 7.878 1.901 1.00 64.14 H new ATOM 0 HD21 LEU A 8 -9.420 7.033 -1.013 1.00 73.03 H new ATOM 0 HD22 LEU A 8 -7.810 7.007 -0.256 1.00 73.03 H new ATOM 0 HD23 LEU A 8 -8.466 5.530 -1.001 1.00 73.03 H new ATOM 114 N LEU A 9 -7.396 3.174 4.186 1.00 62.41 N ATOM 115 CA LEU A 9 -6.872 1.857 4.535 1.00 52.34 C ATOM 116 C LEU A 9 -7.207 1.503 5.980 1.00 53.41 C ATOM 117 O LEU A 9 -7.491 2.370 6.807 1.00 24.14 O ATOM 118 CB LEU A 9 -5.357 1.818 4.326 1.00 73.30 C ATOM 119 CG LEU A 9 -4.613 3.133 4.560 1.00 21.41 C ATOM 120 CD1 LEU A 9 -4.745 3.570 6.011 1.00 72.13 C ATOM 121 CD2 LEU A 9 -3.147 2.992 4.175 1.00 34.32 C ATOM 0 H LEU A 9 -6.901 3.953 4.620 1.00 62.41 H new ATOM 0 HA LEU A 9 -7.342 1.121 3.882 1.00 52.34 H new ATOM 0 HB2 LEU A 9 -4.938 1.063 4.991 1.00 73.30 H new ATOM 0 HB3 LEU A 9 -5.159 1.489 3.306 1.00 73.30 H new ATOM 0 HG LEU A 9 -5.062 3.900 3.929 1.00 21.41 H new ATOM 0 HD11 LEU A 9 -4.209 4.508 6.159 1.00 72.13 H new ATOM 0 HD12 LEU A 9 -5.798 3.712 6.254 1.00 72.13 H new ATOM 0 HD13 LEU A 9 -4.322 2.804 6.661 1.00 72.13 H new ATOM 0 HD21 LEU A 9 -2.633 3.937 4.348 1.00 34.32 H new ATOM 0 HD22 LEU A 9 -2.685 2.212 4.780 1.00 34.32 H new ATOM 0 HD23 LEU A 9 -3.072 2.726 3.121 1.00 34.32 H new ATOM 133 N PRO A 10 -7.173 0.200 6.293 1.00 21.34 N ATOM 134 CA PRO A 10 -7.468 -0.299 7.640 1.00 5.32 C ATOM 135 C PRO A 10 -6.383 0.072 8.646 1.00 43.14 C ATOM 136 O PRO A 10 -5.231 0.323 8.289 1.00 73.42 O ATOM 137 CB PRO A 10 -7.526 -1.817 7.452 1.00 43.32 C ATOM 138 CG PRO A 10 -6.678 -2.083 6.256 1.00 53.32 C ATOM 139 CD PRO A 10 -6.843 -0.888 5.357 1.00 33.24 C ATOM 0 HA PRO A 10 -8.386 0.130 8.041 1.00 5.32 H new ATOM 0 HB2 PRO A 10 -7.147 -2.339 8.330 1.00 43.32 H new ATOM 0 HB3 PRO A 10 -8.549 -2.158 7.295 1.00 43.32 H new ATOM 0 HG2 PRO A 10 -5.634 -2.217 6.540 1.00 53.32 H new ATOM 0 HG3 PRO A 10 -6.991 -2.997 5.751 1.00 53.32 H new ATOM 0 HD2 PRO A 10 -5.931 -0.676 4.799 1.00 33.24 H new ATOM 0 HD3 PRO A 10 -7.636 -1.042 4.625 1.00 33.24 H new ATOM 147 N PRO A 11 -6.756 0.108 9.933 1.00 2.35 N ATOM 148 CA PRO A 11 -5.828 0.447 11.017 1.00 33.41 C ATOM 149 C PRO A 11 -4.785 -0.641 11.248 1.00 32.42 C ATOM 150 O PRO A 11 -3.848 -0.460 12.024 1.00 1.43 O ATOM 151 CB PRO A 11 -6.742 0.579 12.238 1.00 53.11 C ATOM 152 CG PRO A 11 -7.924 -0.270 11.920 1.00 32.42 C ATOM 153 CD PRO A 11 -8.112 -0.179 10.431 1.00 3.10 C ATOM 0 HA PRO A 11 -5.255 1.348 10.797 1.00 33.41 H new ATOM 0 HB2 PRO A 11 -6.243 0.238 13.145 1.00 53.11 H new ATOM 0 HB3 PRO A 11 -7.033 1.616 12.405 1.00 53.11 H new ATOM 0 HG2 PRO A 11 -7.758 -1.302 12.230 1.00 32.42 H new ATOM 0 HG3 PRO A 11 -8.811 0.082 12.447 1.00 32.42 H new ATOM 0 HD2 PRO A 11 -8.503 -1.109 10.018 1.00 3.10 H new ATOM 0 HD3 PRO A 11 -8.814 0.610 10.162 1.00 3.10 H new ATOM 161 N GLU A 12 -4.955 -1.772 10.569 1.00 10.41 N ATOM 162 CA GLU A 12 -4.027 -2.889 10.702 1.00 12.41 C ATOM 163 C GLU A 12 -2.763 -2.647 9.882 1.00 52.40 C ATOM 164 O GLU A 12 -1.654 -2.936 10.330 1.00 45.11 O ATOM 165 CB GLU A 12 -4.695 -4.191 10.257 1.00 34.21 C ATOM 166 CG GLU A 12 -5.174 -4.168 8.815 1.00 34.03 C ATOM 167 CD GLU A 12 -6.464 -4.940 8.617 1.00 53.04 C ATOM 168 OE1 GLU A 12 -6.838 -5.715 9.521 1.00 23.43 O ATOM 169 OE2 GLU A 12 -7.100 -4.768 7.556 1.00 55.13 O ATOM 0 H GLU A 12 -5.726 -1.938 9.922 1.00 10.41 H new ATOM 0 HA GLU A 12 -3.747 -2.973 11.752 1.00 12.41 H new ATOM 0 HB2 GLU A 12 -3.990 -5.013 10.384 1.00 34.21 H new ATOM 0 HB3 GLU A 12 -5.544 -4.395 10.910 1.00 34.21 H new ATOM 0 HG2 GLU A 12 -5.322 -3.135 8.501 1.00 34.03 H new ATOM 0 HG3 GLU A 12 -4.401 -4.589 8.172 1.00 34.03 H new ATOM 176 N LYS A 13 -2.940 -2.114 8.677 1.00 24.34 N ATOM 177 CA LYS A 13 -1.815 -1.832 7.793 1.00 13.21 C ATOM 178 C LYS A 13 -1.439 -0.355 7.847 1.00 44.42 C ATOM 179 O LYS A 13 -0.441 0.063 7.259 1.00 74.10 O ATOM 180 CB LYS A 13 -2.158 -2.230 6.356 1.00 42.23 C ATOM 181 CG LYS A 13 -3.151 -1.295 5.686 1.00 65.40 C ATOM 182 CD LYS A 13 -2.453 -0.303 4.771 1.00 25.02 C ATOM 183 CE LYS A 13 -1.815 -0.998 3.578 1.00 54.14 C ATOM 184 NZ LYS A 13 -2.309 -0.446 2.286 1.00 51.32 N ATOM 0 H LYS A 13 -3.852 -1.869 8.291 1.00 24.34 H new ATOM 0 HA LYS A 13 -0.961 -2.419 8.132 1.00 13.21 H new ATOM 0 HB2 LYS A 13 -1.242 -2.256 5.767 1.00 42.23 H new ATOM 0 HB3 LYS A 13 -2.566 -3.241 6.355 1.00 42.23 H new ATOM 0 HG2 LYS A 13 -3.870 -1.878 5.111 1.00 65.40 H new ATOM 0 HG3 LYS A 13 -3.714 -0.755 6.447 1.00 65.40 H new ATOM 0 HD2 LYS A 13 -3.172 0.438 4.420 1.00 25.02 H new ATOM 0 HD3 LYS A 13 -1.688 0.235 5.332 1.00 25.02 H new ATOM 0 HE2 LYS A 13 -0.732 -0.888 3.630 1.00 54.14 H new ATOM 0 HE3 LYS A 13 -2.029 -2.066 3.622 1.00 54.14 H new ATOM 0 HZ1 LYS A 13 -1.851 -0.946 1.497 1.00 51.32 H new ATOM 0 HZ2 LYS A 13 -3.339 -0.574 2.225 1.00 51.32 H new ATOM 0 HZ3 LYS A 13 -2.082 0.568 2.232 1.00 51.32 H new ATOM 198 N ALA A 14 -2.242 0.431 8.556 1.00 31.24 N ATOM 199 CA ALA A 14 -1.991 1.860 8.689 1.00 4.45 C ATOM 200 C ALA A 14 -0.762 2.124 9.553 1.00 64.50 C ATOM 201 O ALA A 14 -0.156 3.193 9.479 1.00 21.10 O ATOM 202 CB ALA A 14 -3.209 2.558 9.276 1.00 40.35 C ATOM 0 H ALA A 14 -3.073 0.102 9.048 1.00 31.24 H new ATOM 0 HA ALA A 14 -1.798 2.263 7.695 1.00 4.45 H new ATOM 0 HB1 ALA A 14 -3.007 3.625 9.370 1.00 40.35 H new ATOM 0 HB2 ALA A 14 -4.066 2.407 8.620 1.00 40.35 H new ATOM 0 HB3 ALA A 14 -3.428 2.142 10.260 1.00 40.35 H new ATOM 208 N PHE A 15 -0.398 1.142 10.372 1.00 15.00 N ATOM 209 CA PHE A 15 0.758 1.269 11.251 1.00 31.54 C ATOM 210 C PHE A 15 1.813 0.218 10.917 1.00 31.01 C ATOM 211 O PHE A 15 1.503 -0.964 10.770 1.00 22.54 O ATOM 212 CB PHE A 15 0.331 1.131 12.714 1.00 35.01 C ATOM 213 CG PHE A 15 -0.944 1.857 13.037 1.00 72.21 C ATOM 214 CD1 PHE A 15 -1.057 3.219 12.812 1.00 53.23 C ATOM 215 CD2 PHE A 15 -2.029 1.177 13.566 1.00 32.31 C ATOM 216 CE1 PHE A 15 -2.229 3.890 13.107 1.00 11.23 C ATOM 217 CE2 PHE A 15 -3.204 1.842 13.863 1.00 5.13 C ATOM 218 CZ PHE A 15 -3.303 3.201 13.635 1.00 72.32 C ATOM 0 H PHE A 15 -0.887 0.250 10.445 1.00 15.00 H new ATOM 0 HA PHE A 15 1.192 2.257 11.098 1.00 31.54 H new ATOM 0 HB2 PHE A 15 0.208 0.074 12.950 1.00 35.01 H new ATOM 0 HB3 PHE A 15 1.128 1.510 13.354 1.00 35.01 H new ATOM 0 HD1 PHE A 15 -0.219 3.763 12.401 1.00 53.23 H new ATOM 0 HD2 PHE A 15 -1.956 0.115 13.748 1.00 32.31 H new ATOM 0 HE1 PHE A 15 -2.305 4.952 12.925 1.00 11.23 H new ATOM 0 HE2 PHE A 15 -4.043 1.300 14.273 1.00 5.13 H new ATOM 0 HZ PHE A 15 -4.219 3.724 13.869 1.00 72.32 H new ATOM 228 N VAL A 16 3.061 0.659 10.797 1.00 23.34 N ATOM 229 CA VAL A 16 4.163 -0.242 10.481 1.00 61.21 C ATOM 230 C VAL A 16 5.185 -0.280 11.612 1.00 55.30 C ATOM 231 O VAL A 16 6.202 0.414 11.587 1.00 74.34 O ATOM 232 CB VAL A 16 4.871 0.173 9.178 1.00 43.42 C ATOM 233 CG1 VAL A 16 5.862 -0.896 8.744 1.00 4.11 C ATOM 234 CG2 VAL A 16 3.852 0.444 8.081 1.00 25.11 C ATOM 0 H VAL A 16 3.334 1.635 10.914 1.00 23.34 H new ATOM 0 HA VAL A 16 3.732 -1.235 10.352 1.00 61.21 H new ATOM 0 HB VAL A 16 5.425 1.093 9.364 1.00 43.42 H new ATOM 0 HG11 VAL A 16 6.352 -0.585 7.822 1.00 4.11 H new ATOM 0 HG12 VAL A 16 6.611 -1.036 9.524 1.00 4.11 H new ATOM 0 HG13 VAL A 16 5.334 -1.835 8.575 1.00 4.11 H new ATOM 0 HG21 VAL A 16 4.370 0.736 7.167 1.00 25.11 H new ATOM 0 HG22 VAL A 16 3.269 -0.458 7.895 1.00 25.11 H new ATOM 0 HG23 VAL A 16 3.186 1.248 8.394 1.00 25.11 H new ATOM 244 N PRO A 17 4.910 -1.109 12.630 1.00 41.11 N ATOM 245 CA PRO A 17 5.794 -1.258 13.790 1.00 52.11 C ATOM 246 C PRO A 17 7.099 -1.964 13.438 1.00 75.22 C ATOM 247 O PRO A 17 7.099 -2.963 12.720 1.00 62.34 O ATOM 248 CB PRO A 17 4.969 -2.110 14.757 1.00 34.13 C ATOM 249 CG PRO A 17 4.029 -2.870 13.886 1.00 63.21 C ATOM 250 CD PRO A 17 3.716 -1.965 12.726 1.00 21.34 C ATOM 0 HA PRO A 17 6.095 -0.294 14.200 1.00 52.11 H new ATOM 0 HB2 PRO A 17 5.605 -2.782 15.334 1.00 34.13 H new ATOM 0 HB3 PRO A 17 4.431 -1.488 15.472 1.00 34.13 H new ATOM 0 HG2 PRO A 17 4.480 -3.801 13.544 1.00 63.21 H new ATOM 0 HG3 PRO A 17 3.122 -3.136 14.429 1.00 63.21 H new ATOM 0 HD2 PRO A 17 3.552 -2.530 11.808 1.00 21.34 H new ATOM 0 HD3 PRO A 17 2.815 -1.379 12.905 1.00 21.34 H new ATOM 258 N GLU A 18 8.208 -1.438 13.949 1.00 75.34 N ATOM 259 CA GLU A 18 9.519 -2.020 13.687 1.00 52.34 C ATOM 260 C GLU A 18 10.418 -1.909 14.915 1.00 61.25 C ATOM 261 O GLU A 18 10.527 -0.845 15.524 1.00 4.34 O ATOM 262 CB GLU A 18 10.179 -1.327 12.493 1.00 4.41 C ATOM 263 CG GLU A 18 10.838 -2.289 11.519 1.00 45.41 C ATOM 264 CD GLU A 18 12.102 -1.720 10.903 1.00 60.24 C ATOM 265 OE1 GLU A 18 12.314 -0.494 11.006 1.00 74.01 O ATOM 266 OE2 GLU A 18 12.880 -2.503 10.317 1.00 55.20 O ATOM 0 H GLU A 18 8.225 -0.611 14.546 1.00 75.34 H new ATOM 0 HA GLU A 18 9.380 -3.076 13.454 1.00 52.34 H new ATOM 0 HB2 GLU A 18 9.427 -0.743 11.962 1.00 4.41 H new ATOM 0 HB3 GLU A 18 10.928 -0.625 12.860 1.00 4.41 H new ATOM 0 HG2 GLU A 18 11.077 -3.218 12.037 1.00 45.41 H new ATOM 0 HG3 GLU A 18 10.132 -2.538 10.727 1.00 45.41 H new ATOM 273 N LEU A 19 11.060 -3.016 15.272 1.00 73.21 N ATOM 274 CA LEU A 19 11.950 -3.045 16.427 1.00 34.45 C ATOM 275 C LEU A 19 13.407 -3.156 15.990 1.00 53.10 C ATOM 276 O LEU A 19 13.710 -3.742 14.951 1.00 5.24 O ATOM 277 CB LEU A 19 11.590 -4.217 17.343 1.00 1.33 C ATOM 278 CG LEU A 19 11.457 -3.889 18.831 1.00 71.20 C ATOM 279 CD1 LEU A 19 10.031 -3.478 19.161 1.00 13.43 C ATOM 280 CD2 LEU A 19 11.881 -5.079 19.679 1.00 35.51 C ATOM 0 H LEU A 19 10.981 -3.905 14.778 1.00 73.21 H new ATOM 0 HA LEU A 19 11.825 -2.111 16.975 1.00 34.45 H new ATOM 0 HB2 LEU A 19 10.648 -4.644 17.000 1.00 1.33 H new ATOM 0 HB3 LEU A 19 12.351 -4.989 17.228 1.00 1.33 H new ATOM 0 HG LEU A 19 12.117 -3.052 19.060 1.00 71.20 H new ATOM 0 HD11 LEU A 19 9.955 -3.248 20.224 1.00 13.43 H new ATOM 0 HD12 LEU A 19 9.763 -2.596 18.579 1.00 13.43 H new ATOM 0 HD13 LEU A 19 9.351 -4.294 18.917 1.00 13.43 H new ATOM 0 HD21 LEU A 19 11.780 -4.828 20.735 1.00 35.51 H new ATOM 0 HD22 LEU A 19 11.247 -5.935 19.447 1.00 35.51 H new ATOM 0 HD23 LEU A 19 12.920 -5.328 19.463 1.00 35.51 H new ATOM 292 N ALA A 20 14.304 -2.590 16.791 1.00 60.43 N ATOM 293 CA ALA A 20 15.729 -2.629 16.489 1.00 65.05 C ATOM 294 C ALA A 20 16.560 -2.700 17.766 1.00 53.34 C ATOM 295 O ALA A 20 16.723 -1.702 18.468 1.00 43.22 O ATOM 296 CB ALA A 20 16.127 -1.413 15.665 1.00 64.44 C ATOM 0 H ALA A 20 14.069 -2.099 17.654 1.00 60.43 H new ATOM 0 HA ALA A 20 15.927 -3.529 15.908 1.00 65.05 H new ATOM 0 HB1 ALA A 20 17.194 -1.455 15.447 1.00 64.44 H new ATOM 0 HB2 ALA A 20 15.565 -1.407 14.731 1.00 64.44 H new ATOM 0 HB3 ALA A 20 15.907 -0.505 16.227 1.00 64.44 H new ATOM 302 N VAL A 21 17.082 -3.886 18.062 1.00 52.22 N ATOM 303 CA VAL A 21 17.896 -4.086 19.255 1.00 72.54 C ATOM 304 C VAL A 21 19.255 -3.411 19.112 1.00 23.42 C ATOM 305 O VAL A 21 19.887 -3.482 18.059 1.00 42.14 O ATOM 306 CB VAL A 21 18.106 -5.584 19.545 1.00 65.41 C ATOM 307 CG1 VAL A 21 19.160 -5.776 20.625 1.00 64.12 C ATOM 308 CG2 VAL A 21 16.793 -6.238 19.948 1.00 65.43 C ATOM 0 H VAL A 21 16.956 -4.723 17.492 1.00 52.22 H new ATOM 0 HA VAL A 21 17.356 -3.635 20.087 1.00 72.54 H new ATOM 0 HB VAL A 21 18.461 -6.066 18.634 1.00 65.41 H new ATOM 0 HG11 VAL A 21 19.295 -6.841 20.817 1.00 64.12 H new ATOM 0 HG12 VAL A 21 20.104 -5.345 20.293 1.00 64.12 H new ATOM 0 HG13 VAL A 21 18.837 -5.281 21.541 1.00 64.12 H new ATOM 0 HG21 VAL A 21 16.960 -7.296 20.149 1.00 65.43 H new ATOM 0 HG22 VAL A 21 16.406 -5.755 20.845 1.00 65.43 H new ATOM 0 HG23 VAL A 21 16.070 -6.132 19.139 1.00 65.43 H new ATOM 318 N ALA A 22 19.700 -2.758 20.180 1.00 11.53 N ATOM 319 CA ALA A 22 20.986 -2.072 20.176 1.00 41.35 C ATOM 320 C ALA A 22 21.857 -2.529 21.341 1.00 75.20 C ATOM 321 O ALA A 22 21.467 -3.406 22.112 1.00 31.04 O ATOM 322 CB ALA A 22 20.781 -0.565 20.227 1.00 11.11 C ATOM 0 H ALA A 22 19.188 -2.690 21.060 1.00 11.53 H new ATOM 0 HA ALA A 22 21.502 -2.326 19.250 1.00 41.35 H new ATOM 0 HB1 ALA A 22 21.750 -0.066 20.223 1.00 11.11 H new ATOM 0 HB2 ALA A 22 20.205 -0.246 19.358 1.00 11.11 H new ATOM 0 HB3 ALA A 22 20.241 -0.302 21.136 1.00 11.11 H new ATOM 328 N ASP A 23 23.036 -1.931 21.463 1.00 43.24 N ATOM 329 CA ASP A 23 23.962 -2.277 22.535 1.00 42.22 C ATOM 330 C ASP A 23 23.715 -1.412 23.767 1.00 54.01 C ATOM 331 O ASP A 23 24.189 -1.721 24.860 1.00 21.00 O ATOM 332 CB ASP A 23 25.408 -2.112 22.063 1.00 55.45 C ATOM 333 CG ASP A 23 26.341 -3.131 22.686 1.00 15.35 C ATOM 334 OD1 ASP A 23 26.081 -4.343 22.535 1.00 2.33 O ATOM 335 OD2 ASP A 23 27.330 -2.716 23.327 1.00 74.31 O ATOM 0 H ASP A 23 23.374 -1.204 20.833 1.00 43.24 H new ATOM 0 HA ASP A 23 23.793 -3.319 22.805 1.00 42.22 H new ATOM 0 HB2 ASP A 23 25.446 -2.205 20.978 1.00 55.45 H new ATOM 0 HB3 ASP A 23 25.755 -1.108 22.309 1.00 55.45 H new ATOM 340 N ASP A 24 22.970 -0.328 23.582 1.00 11.40 N ATOM 341 CA ASP A 24 22.659 0.582 24.678 1.00 1.53 C ATOM 342 C ASP A 24 21.164 0.576 24.983 1.00 43.23 C ATOM 343 O ASP A 24 20.664 1.437 25.705 1.00 52.44 O ATOM 344 CB ASP A 24 23.117 2.001 24.337 1.00 53.41 C ATOM 345 CG ASP A 24 23.558 2.778 25.562 1.00 61.11 C ATOM 346 OD1 ASP A 24 24.728 2.625 25.971 1.00 12.00 O ATOM 347 OD2 ASP A 24 22.734 3.538 26.112 1.00 35.21 O ATOM 0 H ASP A 24 22.570 -0.058 22.683 1.00 11.40 H new ATOM 0 HA ASP A 24 23.193 0.239 25.564 1.00 1.53 H new ATOM 0 HB2 ASP A 24 23.941 1.952 23.625 1.00 53.41 H new ATOM 0 HB3 ASP A 24 22.303 2.534 23.846 1.00 53.41 H new ATOM 352 N GLY A 25 20.456 -0.402 24.425 1.00 0.45 N ATOM 353 CA GLY A 25 19.025 -0.501 24.648 1.00 4.11 C ATOM 354 C GLY A 25 18.275 -0.947 23.409 1.00 64.14 C ATOM 355 O GLY A 25 18.883 -1.366 22.423 1.00 3.43 O ATOM 0 H GLY A 25 20.847 -1.127 23.823 1.00 0.45 H new ATOM 0 HA2 GLY A 25 18.834 -1.205 25.458 1.00 4.11 H new ATOM 0 HA3 GLY A 25 18.643 0.467 24.971 1.00 4.11 H new ATOM 359 N VAL A 26 16.950 -0.860 23.457 1.00 11.53 N ATOM 360 CA VAL A 26 16.116 -1.258 22.330 1.00 74.01 C ATOM 361 C VAL A 26 15.328 -0.073 21.783 1.00 0.31 C ATOM 362 O VAL A 26 14.759 0.711 22.542 1.00 24.21 O ATOM 363 CB VAL A 26 15.132 -2.375 22.727 1.00 52.32 C ATOM 364 CG1 VAL A 26 14.432 -2.932 21.497 1.00 63.43 C ATOM 365 CG2 VAL A 26 15.856 -3.477 23.484 1.00 32.54 C ATOM 0 H VAL A 26 16.431 -0.517 24.265 1.00 11.53 H new ATOM 0 HA VAL A 26 16.787 -1.632 21.557 1.00 74.01 H new ATOM 0 HB VAL A 26 14.374 -1.951 23.385 1.00 52.32 H new ATOM 0 HG11 VAL A 26 13.741 -3.720 21.797 1.00 63.43 H new ATOM 0 HG12 VAL A 26 13.879 -2.134 21.000 1.00 63.43 H new ATOM 0 HG13 VAL A 26 15.173 -3.342 20.811 1.00 63.43 H new ATOM 0 HG21 VAL A 26 15.146 -4.258 23.757 1.00 32.54 H new ATOM 0 HG22 VAL A 26 16.636 -3.901 22.852 1.00 32.54 H new ATOM 0 HG23 VAL A 26 16.305 -3.064 24.387 1.00 32.54 H new ATOM 375 N ASN A 27 15.299 0.052 20.460 1.00 30.31 N ATOM 376 CA ASN A 27 14.581 1.142 19.811 1.00 52.24 C ATOM 377 C ASN A 27 13.462 0.605 18.923 1.00 20.45 C ATOM 378 O ASN A 27 13.690 -0.250 18.067 1.00 23.24 O ATOM 379 CB ASN A 27 15.544 1.991 18.978 1.00 61.51 C ATOM 380 CG ASN A 27 16.438 2.863 19.838 1.00 21.53 C ATOM 381 OD1 ASN A 27 16.195 3.032 21.033 1.00 33.01 O ATOM 382 ND2 ASN A 27 17.480 3.421 19.233 1.00 54.05 N ATOM 0 H ASN A 27 15.765 -0.588 19.817 1.00 30.31 H new ATOM 0 HA ASN A 27 14.137 1.764 20.588 1.00 52.24 H new ATOM 0 HB2 ASN A 27 16.162 1.337 18.363 1.00 61.51 H new ATOM 0 HB3 ASN A 27 14.972 2.622 18.297 1.00 61.51 H new ATOM 0 HD21 ASN A 27 18.117 4.017 19.761 1.00 54.05 H new ATOM 0 HD22 ASN A 27 17.643 3.253 18.240 1.00 54.05 H new ATOM 389 N VAL A 28 12.252 1.112 19.134 1.00 54.01 N ATOM 390 CA VAL A 28 11.097 0.685 18.353 1.00 60.32 C ATOM 391 C VAL A 28 10.451 1.865 17.636 1.00 20.01 C ATOM 392 O VAL A 28 10.086 2.860 18.262 1.00 5.41 O ATOM 393 CB VAL A 28 10.042 -0.003 19.240 1.00 3.31 C ATOM 394 CG1 VAL A 28 9.543 0.952 20.314 1.00 43.22 C ATOM 395 CG2 VAL A 28 8.888 -0.517 18.394 1.00 54.34 C ATOM 0 H VAL A 28 12.046 1.819 19.839 1.00 54.01 H new ATOM 0 HA VAL A 28 11.462 -0.029 17.615 1.00 60.32 H new ATOM 0 HB VAL A 28 10.508 -0.856 19.734 1.00 3.31 H new ATOM 0 HG11 VAL A 28 8.798 0.449 20.931 1.00 43.22 H new ATOM 0 HG12 VAL A 28 10.379 1.266 20.938 1.00 43.22 H new ATOM 0 HG13 VAL A 28 9.093 1.826 19.843 1.00 43.22 H new ATOM 0 HG21 VAL A 28 8.152 -1.000 19.037 1.00 54.34 H new ATOM 0 HG22 VAL A 28 8.421 0.317 17.871 1.00 54.34 H new ATOM 0 HG23 VAL A 28 9.263 -1.237 17.667 1.00 54.34 H new ATOM 405 N ARG A 29 10.312 1.747 16.320 1.00 71.33 N ATOM 406 CA ARG A 29 9.710 2.804 15.517 1.00 50.41 C ATOM 407 C ARG A 29 8.525 2.272 14.717 1.00 54.10 C ATOM 408 O ARG A 29 8.616 1.226 14.074 1.00 14.01 O ATOM 409 CB ARG A 29 10.748 3.408 14.570 1.00 42.54 C ATOM 410 CG ARG A 29 10.230 4.597 13.776 1.00 22.11 C ATOM 411 CD ARG A 29 9.847 4.197 12.360 1.00 64.22 C ATOM 412 NE ARG A 29 10.954 4.372 11.423 1.00 2.53 N ATOM 413 CZ ARG A 29 11.046 3.728 10.265 1.00 2.32 C ATOM 414 NH1 ARG A 29 10.102 2.871 9.903 1.00 60.02 N ATOM 415 NH2 ARG A 29 12.084 3.942 9.467 1.00 62.23 N ATOM 0 H ARG A 29 10.608 0.929 15.787 1.00 71.33 H new ATOM 0 HA ARG A 29 9.350 3.579 16.194 1.00 50.41 H new ATOM 0 HB2 ARG A 29 11.618 3.720 15.149 1.00 42.54 H new ATOM 0 HB3 ARG A 29 11.086 2.638 13.876 1.00 42.54 H new ATOM 0 HG2 ARG A 29 9.364 5.024 14.282 1.00 22.11 H new ATOM 0 HG3 ARG A 29 10.994 5.374 13.742 1.00 22.11 H new ATOM 0 HD2 ARG A 29 9.526 3.155 12.352 1.00 64.22 H new ATOM 0 HD3 ARG A 29 8.997 4.795 12.032 1.00 64.22 H new ATOM 0 HE ARG A 29 11.697 5.025 11.672 1.00 2.53 H new ATOM 0 HH11 ARG A 29 9.302 2.705 10.514 1.00 60.02 H new ATOM 0 HH12 ARG A 29 10.175 2.378 9.013 1.00 60.02 H new ATOM 0 HH21 ARG A 29 12.812 4.601 9.743 1.00 62.23 H new ATOM 0 HH22 ARG A 29 12.154 3.447 8.578 1.00 62.23 H new ATOM 429 N PHE A 30 7.413 2.999 14.762 1.00 70.12 N ATOM 430 CA PHE A 30 6.209 2.599 14.043 1.00 51.42 C ATOM 431 C PHE A 30 5.737 3.712 13.112 1.00 52.41 C ATOM 432 O PHE A 30 5.526 4.847 13.541 1.00 52.04 O ATOM 433 CB PHE A 30 5.096 2.238 15.029 1.00 4.03 C ATOM 434 CG PHE A 30 5.391 2.652 16.443 1.00 52.33 C ATOM 435 CD1 PHE A 30 6.179 1.859 17.261 1.00 10.31 C ATOM 436 CD2 PHE A 30 4.880 3.835 16.953 1.00 72.23 C ATOM 437 CE1 PHE A 30 6.451 2.238 18.562 1.00 34.13 C ATOM 438 CE2 PHE A 30 5.148 4.219 18.253 1.00 24.11 C ATOM 439 CZ PHE A 30 5.936 3.420 19.058 1.00 33.45 C ATOM 0 H PHE A 30 7.321 3.868 15.289 1.00 70.12 H new ATOM 0 HA PHE A 30 6.450 1.723 13.441 1.00 51.42 H new ATOM 0 HB2 PHE A 30 4.168 2.711 14.706 1.00 4.03 H new ATOM 0 HB3 PHE A 30 4.932 1.161 15.001 1.00 4.03 H new ATOM 0 HD1 PHE A 30 6.585 0.935 16.878 1.00 10.31 H new ATOM 0 HD2 PHE A 30 4.265 4.464 16.327 1.00 72.23 H new ATOM 0 HE1 PHE A 30 7.066 1.611 19.190 1.00 34.13 H new ATOM 0 HE2 PHE A 30 4.742 5.142 18.639 1.00 24.11 H new ATOM 0 HZ PHE A 30 6.149 3.719 20.074 1.00 33.45 H new ATOM 449 N ARG A 31 5.574 3.379 11.836 1.00 72.13 N ATOM 450 CA ARG A 31 5.129 4.350 10.843 1.00 32.32 C ATOM 451 C ARG A 31 3.606 4.362 10.739 1.00 4.24 C ATOM 452 O ARG A 31 2.995 3.379 10.320 1.00 21.24 O ATOM 453 CB ARG A 31 5.741 4.032 9.478 1.00 41.22 C ATOM 454 CG ARG A 31 7.261 4.008 9.483 1.00 51.14 C ATOM 455 CD ARG A 31 7.833 4.671 8.239 1.00 15.34 C ATOM 456 NE ARG A 31 7.839 3.769 7.091 1.00 32.33 N ATOM 457 CZ ARG A 31 8.549 3.986 5.990 1.00 70.42 C ATOM 458 NH1 ARG A 31 9.307 5.069 5.888 1.00 34.01 N ATOM 459 NH2 ARG A 31 8.503 3.118 4.987 1.00 34.53 N ATOM 0 H ARG A 31 5.743 2.444 11.465 1.00 72.13 H new ATOM 0 HA ARG A 31 5.462 5.337 11.162 1.00 32.32 H new ATOM 0 HB2 ARG A 31 5.372 3.064 9.140 1.00 41.22 H new ATOM 0 HB3 ARG A 31 5.400 4.773 8.755 1.00 41.22 H new ATOM 0 HG2 ARG A 31 7.631 4.519 10.372 1.00 51.14 H new ATOM 0 HG3 ARG A 31 7.610 2.977 9.540 1.00 51.14 H new ATOM 0 HD2 ARG A 31 7.247 5.558 7.999 1.00 15.34 H new ATOM 0 HD3 ARG A 31 8.850 5.006 8.442 1.00 15.34 H new ATOM 0 HE ARG A 31 7.267 2.926 7.137 1.00 32.33 H new ATOM 0 HH11 ARG A 31 9.346 5.738 6.657 1.00 34.01 H new ATOM 0 HH12 ARG A 31 9.851 5.233 5.041 1.00 34.01 H new ATOM 0 HH21 ARG A 31 7.922 2.283 5.061 1.00 34.53 H new ATOM 0 HH22 ARG A 31 9.049 3.286 4.142 1.00 34.53 H new ATOM 473 N ILE A 32 3.002 5.481 11.124 1.00 34.00 N ATOM 474 CA ILE A 32 1.552 5.621 11.074 1.00 54.04 C ATOM 475 C ILE A 32 1.112 6.330 9.797 1.00 11.02 C ATOM 476 O ILE A 32 1.799 7.223 9.303 1.00 64.24 O ATOM 477 CB ILE A 32 1.019 6.401 12.290 1.00 34.42 C ATOM 478 CG1 ILE A 32 1.339 5.650 13.585 1.00 51.25 C ATOM 479 CG2 ILE A 32 -0.480 6.626 12.159 1.00 12.44 C ATOM 480 CD1 ILE A 32 1.907 6.536 14.672 1.00 71.54 C ATOM 0 H ILE A 32 3.494 6.303 11.474 1.00 34.00 H new ATOM 0 HA ILE A 32 1.137 4.613 11.089 1.00 54.04 H new ATOM 0 HB ILE A 32 1.511 7.373 12.324 1.00 34.42 H new ATOM 0 HG12 ILE A 32 0.430 5.174 13.953 1.00 51.25 H new ATOM 0 HG13 ILE A 32 2.051 4.854 13.367 1.00 51.25 H new ATOM 0 HG21 ILE A 32 -0.842 7.179 13.026 1.00 12.44 H new ATOM 0 HG22 ILE A 32 -0.684 7.197 11.253 1.00 12.44 H new ATOM 0 HG23 ILE A 32 -0.989 5.664 12.104 1.00 12.44 H new ATOM 0 HD11 ILE A 32 2.110 5.938 15.560 1.00 71.54 H new ATOM 0 HD12 ILE A 32 2.833 6.992 14.323 1.00 71.54 H new ATOM 0 HD13 ILE A 32 1.188 7.317 14.918 1.00 71.54 H new ATOM 492 N ALA A 33 -0.039 5.927 9.270 1.00 55.14 N ATOM 493 CA ALA A 33 -0.573 6.526 8.053 1.00 55.31 C ATOM 494 C ALA A 33 -0.915 7.997 8.269 1.00 21.33 C ATOM 495 O ALA A 33 -1.282 8.403 9.372 1.00 70.20 O ATOM 496 CB ALA A 33 -1.802 5.761 7.583 1.00 65.03 C ATOM 0 H ALA A 33 -0.620 5.188 9.667 1.00 55.14 H new ATOM 0 HA ALA A 33 0.195 6.467 7.282 1.00 55.31 H new ATOM 0 HB1 ALA A 33 -2.190 6.219 6.673 1.00 65.03 H new ATOM 0 HB2 ALA A 33 -1.530 4.725 7.380 1.00 65.03 H new ATOM 0 HB3 ALA A 33 -2.567 5.790 8.359 1.00 65.03 H new ATOM 502 N ASP A 34 -0.791 8.790 7.211 1.00 60.22 N ATOM 503 CA ASP A 34 -1.087 10.216 7.285 1.00 21.12 C ATOM 504 C ASP A 34 -2.543 10.449 7.676 1.00 51.05 C ATOM 505 O ASP A 34 -2.915 11.542 8.100 1.00 52.22 O ATOM 506 CB ASP A 34 -0.791 10.890 5.945 1.00 50.43 C ATOM 507 CG ASP A 34 -0.235 12.291 6.112 1.00 64.33 C ATOM 508 OD1 ASP A 34 -0.990 13.180 6.557 1.00 43.51 O ATOM 509 OD2 ASP A 34 0.956 12.497 5.798 1.00 63.21 O ATOM 0 H ASP A 34 -0.487 8.470 6.291 1.00 60.22 H new ATOM 0 HA ASP A 34 -0.449 10.655 8.052 1.00 21.12 H new ATOM 0 HB2 ASP A 34 -0.078 10.284 5.386 1.00 50.43 H new ATOM 0 HB3 ASP A 34 -1.705 10.933 5.353 1.00 50.43 H new ATOM 514 N GLY A 35 -3.363 9.413 7.528 1.00 55.12 N ATOM 515 CA GLY A 35 -4.770 9.526 7.868 1.00 43.00 C ATOM 516 C GLY A 35 -5.064 9.061 9.280 1.00 23.24 C ATOM 517 O GLY A 35 -6.224 8.903 9.661 1.00 51.43 O ATOM 0 H GLY A 35 -3.079 8.498 7.179 1.00 55.12 H new ATOM 0 HA2 GLY A 35 -5.085 10.564 7.757 1.00 43.00 H new ATOM 0 HA3 GLY A 35 -5.359 8.937 7.165 1.00 43.00 H new ATOM 521 N TYR A 36 -4.011 8.839 10.059 1.00 20.44 N ATOM 522 CA TYR A 36 -4.162 8.384 11.437 1.00 44.43 C ATOM 523 C TYR A 36 -3.195 9.118 12.361 1.00 11.32 C ATOM 524 O TYR A 36 -2.185 9.664 11.916 1.00 54.14 O ATOM 525 CB TYR A 36 -3.925 6.876 11.527 1.00 31.10 C ATOM 526 CG TYR A 36 -5.043 6.051 10.930 1.00 63.11 C ATOM 527 CD1 TYR A 36 -6.323 6.085 11.470 1.00 25.01 C ATOM 528 CD2 TYR A 36 -4.819 5.237 9.827 1.00 60.24 C ATOM 529 CE1 TYR A 36 -7.347 5.332 10.928 1.00 3.54 C ATOM 530 CE2 TYR A 36 -5.837 4.482 9.277 1.00 14.14 C ATOM 531 CZ TYR A 36 -7.099 4.533 9.832 1.00 53.11 C ATOM 532 OH TYR A 36 -8.116 3.782 9.289 1.00 71.33 O ATOM 0 H TYR A 36 -3.044 8.967 9.760 1.00 20.44 H new ATOM 0 HA TYR A 36 -5.180 8.605 11.757 1.00 44.43 H new ATOM 0 HB2 TYR A 36 -2.993 6.632 11.018 1.00 31.10 H new ATOM 0 HB3 TYR A 36 -3.799 6.598 12.573 1.00 31.10 H new ATOM 0 HD1 TYR A 36 -6.521 6.711 12.328 1.00 25.01 H new ATOM 0 HD2 TYR A 36 -3.832 5.194 9.392 1.00 60.24 H new ATOM 0 HE1 TYR A 36 -8.336 5.369 11.360 1.00 3.54 H new ATOM 0 HE2 TYR A 36 -5.646 3.856 8.418 1.00 14.14 H new ATOM 0 HH TYR A 36 -7.808 3.368 8.456 1.00 71.33 H new ATOM 542 N TYR A 37 -3.512 9.126 13.651 1.00 1.31 N ATOM 543 CA TYR A 37 -2.674 9.794 14.640 1.00 42.11 C ATOM 544 C TYR A 37 -2.887 9.197 16.027 1.00 30.24 C ATOM 545 O TYR A 37 -4.020 8.957 16.445 1.00 43.52 O ATOM 546 CB TYR A 37 -2.976 11.293 14.666 1.00 43.40 C ATOM 547 CG TYR A 37 -4.401 11.617 15.052 1.00 11.51 C ATOM 548 CD1 TYR A 37 -4.757 11.796 16.383 1.00 13.33 C ATOM 549 CD2 TYR A 37 -5.392 11.744 14.086 1.00 21.14 C ATOM 550 CE1 TYR A 37 -6.059 12.092 16.741 1.00 25.21 C ATOM 551 CE2 TYR A 37 -6.695 12.041 14.435 1.00 73.32 C ATOM 552 CZ TYR A 37 -7.024 12.213 15.763 1.00 3.53 C ATOM 553 OH TYR A 37 -8.321 12.508 16.115 1.00 72.35 O ATOM 0 H TYR A 37 -4.343 8.677 14.036 1.00 1.31 H new ATOM 0 HA TYR A 37 -1.632 9.645 14.356 1.00 42.11 H new ATOM 0 HB2 TYR A 37 -2.299 11.779 15.368 1.00 43.40 H new ATOM 0 HB3 TYR A 37 -2.771 11.714 13.682 1.00 43.40 H new ATOM 0 HD1 TYR A 37 -4.004 11.702 17.151 1.00 13.33 H new ATOM 0 HD2 TYR A 37 -5.139 11.608 13.045 1.00 21.14 H new ATOM 0 HE1 TYR A 37 -6.319 12.228 17.780 1.00 25.21 H new ATOM 0 HE2 TYR A 37 -7.453 12.138 13.671 1.00 73.32 H new ATOM 0 HH TYR A 37 -8.875 12.559 15.308 1.00 72.35 H new ATOM 563 N MET A 38 -1.789 8.959 16.737 1.00 1.33 N ATOM 564 CA MET A 38 -1.855 8.392 18.079 1.00 24.30 C ATOM 565 C MET A 38 -1.391 9.405 19.121 1.00 34.21 C ATOM 566 O MET A 38 -0.456 10.170 18.884 1.00 30.33 O ATOM 567 CB MET A 38 -0.997 7.127 18.164 1.00 54.44 C ATOM 568 CG MET A 38 -1.730 5.867 17.734 1.00 31.42 C ATOM 569 SD MET A 38 -1.460 5.464 15.997 1.00 32.15 S ATOM 570 CE MET A 38 -0.544 3.932 16.144 1.00 61.14 C ATOM 0 H MET A 38 -0.843 9.150 16.406 1.00 1.33 H new ATOM 0 HA MET A 38 -2.893 8.133 18.286 1.00 24.30 H new ATOM 0 HB2 MET A 38 -0.113 7.255 17.539 1.00 54.44 H new ATOM 0 HB3 MET A 38 -0.648 7.003 19.189 1.00 54.44 H new ATOM 0 HG2 MET A 38 -1.401 5.031 18.352 1.00 31.42 H new ATOM 0 HG3 MET A 38 -2.798 5.994 17.912 1.00 31.42 H new ATOM 0 HE1 MET A 38 -0.018 3.731 15.210 1.00 61.14 H new ATOM 0 HE2 MET A 38 0.178 4.016 16.956 1.00 61.14 H new ATOM 0 HE3 MET A 38 -1.234 3.115 16.355 1.00 61.14 H new ATOM 580 N TYR A 39 -2.051 9.405 20.274 1.00 74.32 N ATOM 581 CA TYR A 39 -1.709 10.326 21.351 1.00 63.12 C ATOM 582 C TYR A 39 -0.545 9.788 22.178 1.00 44.44 C ATOM 583 O TYR A 39 -0.521 8.614 22.545 1.00 12.24 O ATOM 584 CB TYR A 39 -2.922 10.564 22.252 1.00 64.01 C ATOM 585 CG TYR A 39 -4.215 10.744 21.491 1.00 54.45 C ATOM 586 CD1 TYR A 39 -4.594 11.993 21.011 1.00 22.52 C ATOM 587 CD2 TYR A 39 -5.060 9.667 21.251 1.00 2.42 C ATOM 588 CE1 TYR A 39 -5.775 12.162 20.316 1.00 53.43 C ATOM 589 CE2 TYR A 39 -6.242 9.828 20.555 1.00 33.44 C ATOM 590 CZ TYR A 39 -6.596 11.077 20.090 1.00 62.11 C ATOM 591 OH TYR A 39 -7.774 11.241 19.398 1.00 63.04 O ATOM 0 H TYR A 39 -2.826 8.777 20.487 1.00 74.32 H new ATOM 0 HA TYR A 39 -1.407 11.273 20.903 1.00 63.12 H new ATOM 0 HB2 TYR A 39 -3.027 9.722 22.936 1.00 64.01 H new ATOM 0 HB3 TYR A 39 -2.743 11.449 22.862 1.00 64.01 H new ATOM 0 HD1 TYR A 39 -3.954 12.845 21.185 1.00 22.52 H new ATOM 0 HD2 TYR A 39 -4.788 8.687 21.615 1.00 2.42 H new ATOM 0 HE1 TYR A 39 -6.055 13.139 19.951 1.00 53.43 H new ATOM 0 HE2 TYR A 39 -6.886 8.980 20.376 1.00 33.44 H new ATOM 0 HH TYR A 39 -8.233 10.378 19.325 1.00 63.04 H new ATOM 601 N GLN A 40 0.419 10.657 22.466 1.00 52.41 N ATOM 602 CA GLN A 40 1.586 10.271 23.249 1.00 24.22 C ATOM 603 C GLN A 40 1.170 9.556 24.531 1.00 50.25 C ATOM 604 O GLN A 40 1.825 8.609 24.965 1.00 12.45 O ATOM 605 CB GLN A 40 2.430 11.501 23.588 1.00 15.23 C ATOM 606 CG GLN A 40 3.635 11.191 24.461 1.00 61.03 C ATOM 607 CD GLN A 40 4.278 9.862 24.116 1.00 4.22 C ATOM 608 OE1 GLN A 40 4.471 9.009 24.983 1.00 14.11 O ATOM 609 NE2 GLN A 40 4.615 9.679 22.845 1.00 41.12 N ATOM 0 H GLN A 40 0.414 11.633 22.169 1.00 52.41 H new ATOM 0 HA GLN A 40 2.183 9.584 22.649 1.00 24.22 H new ATOM 0 HB2 GLN A 40 2.772 11.963 22.662 1.00 15.23 H new ATOM 0 HB3 GLN A 40 1.802 12.233 24.096 1.00 15.23 H new ATOM 0 HG2 GLN A 40 4.372 11.986 24.352 1.00 61.03 H new ATOM 0 HG3 GLN A 40 3.329 11.182 25.507 1.00 61.03 H new ATOM 0 HE21 GLN A 40 4.437 10.413 22.159 1.00 41.12 H new ATOM 0 HE22 GLN A 40 5.052 8.805 22.554 1.00 41.12 H new ATOM 618 N ALA A 41 0.077 10.016 25.131 1.00 41.55 N ATOM 619 CA ALA A 41 -0.427 9.420 26.361 1.00 13.22 C ATOM 620 C ALA A 41 -1.065 8.062 26.092 1.00 72.43 C ATOM 621 O ALA A 41 -1.003 7.158 26.926 1.00 13.31 O ATOM 622 CB ALA A 41 -1.428 10.352 27.028 1.00 51.42 C ATOM 0 H ALA A 41 -0.476 10.800 24.785 1.00 41.55 H new ATOM 0 HA ALA A 41 0.417 9.269 27.034 1.00 13.22 H new ATOM 0 HB1 ALA A 41 -1.796 9.894 27.946 1.00 51.42 H new ATOM 0 HB2 ALA A 41 -0.942 11.299 27.265 1.00 51.42 H new ATOM 0 HB3 ALA A 41 -2.264 10.532 26.352 1.00 51.42 H new ATOM 628 N LYS A 42 -1.679 7.923 24.921 1.00 0.15 N ATOM 629 CA LYS A 42 -2.328 6.674 24.541 1.00 55.43 C ATOM 630 C LYS A 42 -1.298 5.632 24.118 1.00 52.11 C ATOM 631 O LYS A 42 -1.516 4.431 24.277 1.00 73.44 O ATOM 632 CB LYS A 42 -3.320 6.918 23.401 1.00 50.42 C ATOM 633 CG LYS A 42 -4.729 7.230 23.876 1.00 5.22 C ATOM 634 CD LYS A 42 -4.761 8.476 24.745 1.00 3.14 C ATOM 635 CE LYS A 42 -4.904 8.125 26.218 1.00 24.43 C ATOM 636 NZ LYS A 42 -5.693 9.147 26.959 1.00 53.45 N ATOM 0 H LYS A 42 -1.740 8.660 24.219 1.00 0.15 H new ATOM 0 HA LYS A 42 -2.867 6.295 25.409 1.00 55.43 H new ATOM 0 HB2 LYS A 42 -2.961 7.745 22.789 1.00 50.42 H new ATOM 0 HB3 LYS A 42 -3.348 6.036 22.761 1.00 50.42 H new ATOM 0 HG2 LYS A 42 -5.382 7.369 23.014 1.00 5.22 H new ATOM 0 HG3 LYS A 42 -5.120 6.383 24.439 1.00 5.22 H new ATOM 0 HD2 LYS A 42 -3.847 9.050 24.594 1.00 3.14 H new ATOM 0 HD3 LYS A 42 -5.591 9.113 24.439 1.00 3.14 H new ATOM 0 HE2 LYS A 42 -5.388 7.153 26.314 1.00 24.43 H new ATOM 0 HE3 LYS A 42 -3.915 8.034 26.667 1.00 24.43 H new ATOM 0 HZ1 LYS A 42 -5.767 8.870 27.959 1.00 53.45 H new ATOM 0 HZ2 LYS A 42 -5.218 10.070 26.889 1.00 53.45 H new ATOM 0 HZ3 LYS A 42 -6.646 9.216 26.547 1.00 53.45 H new ATOM 650 N ILE A 43 -0.176 6.100 23.581 1.00 32.42 N ATOM 651 CA ILE A 43 0.888 5.207 23.139 1.00 40.32 C ATOM 652 C ILE A 43 1.680 4.666 24.324 1.00 1.22 C ATOM 653 O ILE A 43 1.949 5.386 25.286 1.00 42.53 O ATOM 654 CB ILE A 43 1.854 5.918 22.172 1.00 14.44 C ATOM 655 CG1 ILE A 43 1.130 6.293 20.877 1.00 33.14 C ATOM 656 CG2 ILE A 43 3.055 5.033 21.877 1.00 71.10 C ATOM 657 CD1 ILE A 43 1.603 7.598 20.277 1.00 53.05 C ATOM 0 H ILE A 43 0.019 7.091 23.442 1.00 32.42 H new ATOM 0 HA ILE A 43 0.408 4.379 22.617 1.00 40.32 H new ATOM 0 HB ILE A 43 2.210 6.833 22.645 1.00 14.44 H new ATOM 0 HG12 ILE A 43 1.270 5.495 20.148 1.00 33.14 H new ATOM 0 HG13 ILE A 43 0.060 6.360 21.075 1.00 33.14 H new ATOM 0 HG21 ILE A 43 3.728 5.549 21.192 1.00 71.10 H new ATOM 0 HG22 ILE A 43 3.581 4.812 22.806 1.00 71.10 H new ATOM 0 HG23 ILE A 43 2.718 4.102 21.421 1.00 71.10 H new ATOM 0 HD11 ILE A 43 1.047 7.800 19.362 1.00 53.05 H new ATOM 0 HD12 ILE A 43 1.438 8.407 20.989 1.00 53.05 H new ATOM 0 HD13 ILE A 43 2.666 7.529 20.047 1.00 53.05 H new ATOM 669 N VAL A 44 2.053 3.392 24.248 1.00 14.42 N ATOM 670 CA VAL A 44 2.817 2.755 25.313 1.00 20.44 C ATOM 671 C VAL A 44 3.885 1.828 24.744 1.00 23.11 C ATOM 672 O VAL A 44 3.706 1.236 23.681 1.00 72.41 O ATOM 673 CB VAL A 44 1.903 1.949 26.255 1.00 33.41 C ATOM 674 CG1 VAL A 44 2.631 1.611 27.547 1.00 22.00 C ATOM 675 CG2 VAL A 44 0.622 2.718 26.541 1.00 0.10 C ATOM 0 H VAL A 44 1.838 2.781 23.460 1.00 14.42 H new ATOM 0 HA VAL A 44 3.297 3.553 25.879 1.00 20.44 H new ATOM 0 HB VAL A 44 1.637 1.014 25.762 1.00 33.41 H new ATOM 0 HG11 VAL A 44 1.969 1.042 28.199 1.00 22.00 H new ATOM 0 HG12 VAL A 44 3.517 1.017 27.321 1.00 22.00 H new ATOM 0 HG13 VAL A 44 2.930 2.532 28.048 1.00 22.00 H new ATOM 0 HG21 VAL A 44 -0.012 2.134 27.208 1.00 0.10 H new ATOM 0 HG22 VAL A 44 0.867 3.669 27.014 1.00 0.10 H new ATOM 0 HG23 VAL A 44 0.092 2.903 25.607 1.00 0.10 H new ATOM 685 N GLY A 45 4.999 1.707 25.460 1.00 30.35 N ATOM 686 CA GLY A 45 6.081 0.850 25.011 1.00 74.10 C ATOM 687 C GLY A 45 7.178 0.709 26.047 1.00 34.05 C ATOM 688 O GLY A 45 7.910 1.660 26.322 1.00 54.35 O ATOM 0 H GLY A 45 5.171 2.187 26.343 1.00 30.35 H new ATOM 0 HA2 GLY A 45 5.683 -0.136 24.771 1.00 74.10 H new ATOM 0 HA3 GLY A 45 6.504 1.255 24.092 1.00 74.10 H new ATOM 692 N LYS A 46 7.292 -0.481 26.627 1.00 0.04 N ATOM 693 CA LYS A 46 8.307 -0.745 27.640 1.00 1.54 C ATOM 694 C LYS A 46 8.924 -2.126 27.446 1.00 42.22 C ATOM 695 O LYS A 46 8.223 -3.095 27.154 1.00 23.50 O ATOM 696 CB LYS A 46 7.699 -0.639 29.041 1.00 41.42 C ATOM 697 CG LYS A 46 7.103 -1.942 29.545 1.00 4.54 C ATOM 698 CD LYS A 46 8.114 -2.742 30.349 1.00 20.25 C ATOM 699 CE LYS A 46 8.169 -4.191 29.891 1.00 71.33 C ATOM 700 NZ LYS A 46 7.623 -5.120 30.919 1.00 5.23 N ATOM 0 H LYS A 46 6.693 -1.279 26.413 1.00 0.04 H new ATOM 0 HA LYS A 46 9.093 0.003 27.534 1.00 1.54 H new ATOM 0 HB2 LYS A 46 8.469 -0.308 29.738 1.00 41.42 H new ATOM 0 HB3 LYS A 46 6.924 0.127 29.035 1.00 41.42 H new ATOM 0 HG2 LYS A 46 6.231 -1.729 30.163 1.00 4.54 H new ATOM 0 HG3 LYS A 46 6.757 -2.536 28.699 1.00 4.54 H new ATOM 0 HD2 LYS A 46 9.101 -2.290 30.248 1.00 20.25 H new ATOM 0 HD3 LYS A 46 7.852 -2.703 31.406 1.00 20.25 H new ATOM 0 HE2 LYS A 46 7.604 -4.301 28.966 1.00 71.33 H new ATOM 0 HE3 LYS A 46 9.201 -4.462 29.668 1.00 71.33 H new ATOM 0 HZ1 LYS A 46 7.284 -5.988 30.457 1.00 5.23 H new ATOM 0 HZ2 LYS A 46 8.370 -5.360 31.602 1.00 5.23 H new ATOM 0 HZ3 LYS A 46 6.833 -4.661 31.417 1.00 5.23 H new ATOM 714 N THR A 47 10.241 -2.209 27.611 1.00 71.55 N ATOM 715 CA THR A 47 10.952 -3.472 27.453 1.00 1.24 C ATOM 716 C THR A 47 11.920 -3.705 28.608 1.00 34.20 C ATOM 717 O THR A 47 12.719 -2.834 28.946 1.00 42.42 O ATOM 718 CB THR A 47 11.734 -3.515 26.127 1.00 52.22 C ATOM 719 OG1 THR A 47 12.338 -4.802 25.956 1.00 41.42 O ATOM 720 CG2 THR A 47 12.807 -2.437 26.096 1.00 52.11 C ATOM 0 H THR A 47 10.836 -1.417 27.854 1.00 71.55 H new ATOM 0 HA THR A 47 10.199 -4.260 27.448 1.00 1.24 H new ATOM 0 HB THR A 47 11.034 -3.332 25.312 1.00 52.22 H new ATOM 0 HG1 THR A 47 12.832 -4.822 25.110 1.00 41.42 H new ATOM 0 HG21 THR A 47 13.346 -2.487 25.150 1.00 52.11 H new ATOM 0 HG22 THR A 47 12.341 -1.457 26.197 1.00 52.11 H new ATOM 0 HG23 THR A 47 13.504 -2.594 26.919 1.00 52.11 H new ATOM 728 N ASN A 48 11.841 -4.888 29.210 1.00 45.25 N ATOM 729 CA ASN A 48 12.711 -5.236 30.327 1.00 3.22 C ATOM 730 C ASN A 48 12.396 -6.635 30.846 1.00 24.35 C ATOM 731 O ASN A 48 11.300 -7.163 30.656 1.00 25.11 O ATOM 732 CB ASN A 48 12.559 -4.214 31.456 1.00 31.53 C ATOM 733 CG ASN A 48 11.107 -3.893 31.753 1.00 71.10 C ATOM 734 OD1 ASN A 48 10.259 -4.785 31.800 1.00 3.31 O ATOM 735 ND2 ASN A 48 10.814 -2.614 31.955 1.00 55.35 N ATOM 0 H ASN A 48 11.184 -5.621 28.943 1.00 45.25 H new ATOM 0 HA ASN A 48 13.741 -5.224 29.971 1.00 3.22 H new ATOM 0 HB2 ASN A 48 13.035 -4.599 32.358 1.00 31.53 H new ATOM 0 HB3 ASN A 48 13.083 -3.297 31.186 1.00 31.53 H new ATOM 0 HD21 ASN A 48 9.854 -2.337 32.159 1.00 55.35 H new ATOM 0 HD22 ASN A 48 11.549 -1.909 31.906 1.00 55.35 H new ATOM 742 N PRO A 49 13.379 -7.252 31.519 1.00 4.12 N ATOM 743 CA PRO A 49 13.231 -8.598 32.081 1.00 50.21 C ATOM 744 C PRO A 49 12.269 -8.630 33.263 1.00 13.54 C ATOM 745 O PRO A 49 11.514 -9.586 33.436 1.00 22.31 O ATOM 746 CB PRO A 49 14.649 -8.951 32.536 1.00 2.41 C ATOM 747 CG PRO A 49 15.306 -7.636 32.783 1.00 71.32 C ATOM 748 CD PRO A 49 14.711 -6.682 31.784 1.00 64.42 C ATOM 0 HA PRO A 49 12.815 -9.298 31.357 1.00 50.21 H new ATOM 0 HB2 PRO A 49 14.635 -9.562 33.438 1.00 2.41 H new ATOM 0 HB3 PRO A 49 15.179 -9.521 31.773 1.00 2.41 H new ATOM 0 HG2 PRO A 49 15.126 -7.295 33.803 1.00 71.32 H new ATOM 0 HG3 PRO A 49 16.386 -7.710 32.657 1.00 71.32 H new ATOM 0 HD2 PRO A 49 14.643 -5.671 32.185 1.00 64.42 H new ATOM 0 HD3 PRO A 49 15.311 -6.625 30.876 1.00 64.42 H new ATOM 756 N ALA A 50 12.300 -7.577 34.075 1.00 63.35 N ATOM 757 CA ALA A 50 11.429 -7.484 35.239 1.00 32.12 C ATOM 758 C ALA A 50 11.401 -6.063 35.792 1.00 71.13 C ATOM 759 O ALA A 50 11.654 -5.842 36.976 1.00 21.42 O ATOM 760 CB ALA A 50 11.879 -8.462 36.315 1.00 53.14 C ATOM 0 H ALA A 50 12.920 -6.777 33.947 1.00 63.35 H new ATOM 0 HA ALA A 50 10.418 -7.744 34.926 1.00 32.12 H new ATOM 0 HB1 ALA A 50 11.219 -8.382 37.179 1.00 53.14 H new ATOM 0 HB2 ALA A 50 11.840 -9.478 35.922 1.00 53.14 H new ATOM 0 HB3 ALA A 50 12.900 -8.228 36.616 1.00 53.14 H new ATOM 766 N ASP A 51 11.093 -5.103 34.927 1.00 73.12 N ATOM 767 CA ASP A 51 11.032 -3.703 35.329 1.00 55.42 C ATOM 768 C ASP A 51 12.411 -3.192 35.732 1.00 65.22 C ATOM 769 O ASP A 51 12.560 -2.504 36.742 1.00 13.43 O ATOM 770 CB ASP A 51 10.050 -3.525 36.488 1.00 53.00 C ATOM 771 CG ASP A 51 9.435 -2.139 36.519 1.00 25.33 C ATOM 772 OD1 ASP A 51 9.995 -1.227 35.875 1.00 21.12 O ATOM 773 OD2 ASP A 51 8.395 -1.967 37.187 1.00 34.11 O ATOM 0 H ASP A 51 10.882 -5.269 33.943 1.00 73.12 H new ATOM 0 HA ASP A 51 10.684 -3.121 34.475 1.00 55.42 H new ATOM 0 HB2 ASP A 51 9.258 -4.269 36.406 1.00 53.00 H new ATOM 0 HB3 ASP A 51 10.566 -3.711 37.430 1.00 53.00 H new ATOM 778 N LEU A 52 13.419 -3.535 34.937 1.00 52.15 N ATOM 779 CA LEU A 52 14.788 -3.112 35.211 1.00 71.34 C ATOM 780 C LEU A 52 15.176 -1.924 34.336 1.00 25.42 C ATOM 781 O LEU A 52 15.930 -1.047 34.761 1.00 62.53 O ATOM 782 CB LEU A 52 15.757 -4.272 34.975 1.00 3.03 C ATOM 783 CG LEU A 52 16.408 -4.867 36.225 1.00 50.23 C ATOM 784 CD1 LEU A 52 16.901 -6.279 35.949 1.00 42.32 C ATOM 785 CD2 LEU A 52 17.552 -3.984 36.702 1.00 52.00 C ATOM 0 H LEU A 52 13.314 -4.105 34.098 1.00 52.15 H new ATOM 0 HA LEU A 52 14.846 -2.805 36.255 1.00 71.34 H new ATOM 0 HB2 LEU A 52 15.222 -5.067 34.455 1.00 3.03 H new ATOM 0 HB3 LEU A 52 16.547 -3.929 34.306 1.00 3.03 H new ATOM 0 HG LEU A 52 15.658 -4.914 37.015 1.00 50.23 H new ATOM 0 HD11 LEU A 52 17.361 -6.686 36.849 1.00 42.32 H new ATOM 0 HD12 LEU A 52 16.060 -6.907 35.655 1.00 42.32 H new ATOM 0 HD13 LEU A 52 17.636 -6.257 35.144 1.00 42.32 H new ATOM 0 HD21 LEU A 52 18.003 -4.423 37.592 1.00 52.00 H new ATOM 0 HD22 LEU A 52 18.303 -3.905 35.916 1.00 52.00 H new ATOM 0 HD23 LEU A 52 17.170 -2.991 36.940 1.00 52.00 H new ATOM 797 N LEU A 53 14.656 -1.901 33.114 1.00 11.32 N ATOM 798 CA LEU A 53 14.946 -0.819 32.180 1.00 43.32 C ATOM 799 C LEU A 53 14.708 0.541 32.829 1.00 30.45 C ATOM 800 O LEU A 53 13.826 0.690 33.674 1.00 53.44 O ATOM 801 CB LEU A 53 14.082 -0.956 30.925 1.00 15.15 C ATOM 802 CG LEU A 53 14.284 0.113 29.851 1.00 74.13 C ATOM 803 CD1 LEU A 53 15.123 -0.433 28.706 1.00 74.21 C ATOM 804 CD2 LEU A 53 12.941 0.615 29.339 1.00 63.44 C ATOM 0 H LEU A 53 14.032 -2.619 32.747 1.00 11.32 H new ATOM 0 HA LEU A 53 15.997 -0.888 31.899 1.00 43.32 H new ATOM 0 HB2 LEU A 53 14.276 -1.932 30.479 1.00 15.15 H new ATOM 0 HB3 LEU A 53 13.035 -0.946 31.226 1.00 15.15 H new ATOM 0 HG LEU A 53 14.817 0.953 30.297 1.00 74.13 H new ATOM 0 HD11 LEU A 53 15.256 0.342 27.951 1.00 74.21 H new ATOM 0 HD12 LEU A 53 16.097 -0.743 29.084 1.00 74.21 H new ATOM 0 HD13 LEU A 53 14.617 -1.290 28.261 1.00 74.21 H new ATOM 0 HD21 LEU A 53 13.104 1.375 28.575 1.00 63.44 H new ATOM 0 HD22 LEU A 53 12.381 -0.216 28.910 1.00 63.44 H new ATOM 0 HD23 LEU A 53 12.375 1.046 30.165 1.00 63.44 H new ATOM 816 N GLY A 54 15.500 1.530 32.428 1.00 43.01 N ATOM 817 CA GLY A 54 15.358 2.865 32.980 1.00 62.33 C ATOM 818 C GLY A 54 14.015 3.487 32.653 1.00 21.15 C ATOM 819 O GLY A 54 13.014 3.194 33.307 1.00 50.24 O ATOM 0 H GLY A 54 16.238 1.431 31.731 1.00 43.01 H new ATOM 0 HA2 GLY A 54 15.482 2.823 34.062 1.00 62.33 H new ATOM 0 HA3 GLY A 54 16.154 3.502 32.593 1.00 62.33 H new ATOM 823 N GLN A 55 13.994 4.349 31.642 1.00 71.32 N ATOM 824 CA GLN A 55 12.763 5.015 31.233 1.00 45.45 C ATOM 825 C GLN A 55 12.665 5.092 29.712 1.00 22.55 C ATOM 826 O GLN A 55 13.668 5.067 28.999 1.00 4.12 O ATOM 827 CB GLN A 55 12.697 6.422 31.831 1.00 62.32 C ATOM 828 CG GLN A 55 13.986 7.212 31.671 1.00 21.14 C ATOM 829 CD GLN A 55 13.818 8.678 32.019 1.00 44.02 C ATOM 830 OE1 GLN A 55 12.799 9.083 32.578 1.00 74.23 O ATOM 831 NE2 GLN A 55 14.822 9.483 31.689 1.00 15.21 N ATOM 0 H GLN A 55 14.814 4.603 31.091 1.00 71.32 H new ATOM 0 HA GLN A 55 11.922 4.429 31.604 1.00 45.45 H new ATOM 0 HB2 GLN A 55 11.883 6.971 31.358 1.00 62.32 H new ATOM 0 HB3 GLN A 55 12.456 6.346 32.891 1.00 62.32 H new ATOM 0 HG2 GLN A 55 14.756 6.777 32.308 1.00 21.14 H new ATOM 0 HG3 GLN A 55 14.336 7.124 30.643 1.00 21.14 H new ATOM 0 HE21 GLN A 55 15.648 9.104 31.226 1.00 15.21 H new ATOM 0 HE22 GLN A 55 14.766 10.480 31.898 1.00 15.21 H new ATOM 840 N PRO A 56 11.428 5.186 29.203 1.00 70.40 N ATOM 841 CA PRO A 56 11.169 5.267 27.762 1.00 3.44 C ATOM 842 C PRO A 56 11.621 6.596 27.167 1.00 45.33 C ATOM 843 O PRO A 56 11.715 7.603 27.869 1.00 35.34 O ATOM 844 CB PRO A 56 9.648 5.129 27.667 1.00 72.32 C ATOM 845 CG PRO A 56 9.141 5.604 28.984 1.00 14.43 C ATOM 846 CD PRO A 56 10.186 5.220 29.994 1.00 4.00 C ATOM 0 HA PRO A 56 11.715 4.505 27.206 1.00 3.44 H new ATOM 0 HB2 PRO A 56 9.247 5.728 26.849 1.00 72.32 H new ATOM 0 HB3 PRO A 56 9.355 4.096 27.479 1.00 72.32 H new ATOM 0 HG2 PRO A 56 8.984 6.683 28.976 1.00 14.43 H new ATOM 0 HG3 PRO A 56 8.182 5.144 29.221 1.00 14.43 H new ATOM 0 HD2 PRO A 56 10.246 5.945 30.806 1.00 4.00 H new ATOM 0 HD3 PRO A 56 9.971 4.252 30.447 1.00 4.00 H new ATOM 854 N SER A 57 11.901 6.593 25.867 1.00 30.53 N ATOM 855 CA SER A 57 12.347 7.798 25.178 1.00 71.42 C ATOM 856 C SER A 57 11.617 7.965 23.849 1.00 75.22 C ATOM 857 O SER A 57 12.169 7.687 22.784 1.00 22.12 O ATOM 858 CB SER A 57 13.857 7.745 24.940 1.00 42.13 C ATOM 859 OG SER A 57 14.556 8.474 25.934 1.00 51.21 O ATOM 0 H SER A 57 11.827 5.769 25.270 1.00 30.53 H new ATOM 0 HA SER A 57 12.116 8.655 25.810 1.00 71.42 H new ATOM 0 HB2 SER A 57 14.192 6.708 24.942 1.00 42.13 H new ATOM 0 HB3 SER A 57 14.088 8.153 23.956 1.00 42.13 H new ATOM 0 HG SER A 57 15.519 8.423 25.760 1.00 51.21 H new ATOM 865 N PHE A 58 10.370 8.421 23.919 1.00 24.10 N ATOM 866 CA PHE A 58 9.562 8.625 22.722 1.00 23.34 C ATOM 867 C PHE A 58 9.837 9.994 22.108 1.00 54.14 C ATOM 868 O PHE A 58 9.894 11.002 22.811 1.00 14.35 O ATOM 869 CB PHE A 58 8.075 8.492 23.057 1.00 61.02 C ATOM 870 CG PHE A 58 7.640 9.354 24.207 1.00 22.25 C ATOM 871 CD1 PHE A 58 7.257 10.669 23.999 1.00 4.12 C ATOM 872 CD2 PHE A 58 7.614 8.849 25.497 1.00 34.53 C ATOM 873 CE1 PHE A 58 6.858 11.464 25.056 1.00 14.34 C ATOM 874 CE2 PHE A 58 7.214 9.639 26.559 1.00 62.04 C ATOM 875 CZ PHE A 58 6.835 10.948 26.337 1.00 13.45 C ATOM 0 H PHE A 58 9.897 8.656 24.792 1.00 24.10 H new ATOM 0 HA PHE A 58 9.833 7.860 21.995 1.00 23.34 H new ATOM 0 HB2 PHE A 58 7.488 8.752 22.176 1.00 61.02 H new ATOM 0 HB3 PHE A 58 7.855 7.450 23.291 1.00 61.02 H new ATOM 0 HD1 PHE A 58 7.270 11.077 22.999 1.00 4.12 H new ATOM 0 HD2 PHE A 58 7.910 7.826 25.675 1.00 34.53 H new ATOM 0 HE1 PHE A 58 6.564 12.488 24.881 1.00 14.34 H new ATOM 0 HE2 PHE A 58 7.198 9.233 27.560 1.00 62.04 H new ATOM 0 HZ PHE A 58 6.521 11.568 27.164 1.00 13.45 H new ATOM 885 N SER A 59 10.006 10.021 20.790 1.00 43.14 N ATOM 886 CA SER A 59 10.279 11.265 20.079 1.00 1.13 C ATOM 887 C SER A 59 9.256 12.336 20.447 1.00 62.14 C ATOM 888 O SER A 59 8.242 12.050 21.084 1.00 41.42 O ATOM 889 CB SER A 59 10.265 11.028 18.568 1.00 24.20 C ATOM 890 OG SER A 59 11.583 10.957 18.051 1.00 51.41 O ATOM 0 H SER A 59 9.959 9.196 20.193 1.00 43.14 H new ATOM 0 HA SER A 59 11.268 11.614 20.375 1.00 1.13 H new ATOM 0 HB2 SER A 59 9.734 10.102 18.347 1.00 24.20 H new ATOM 0 HB3 SER A 59 9.721 11.834 18.075 1.00 24.20 H new ATOM 0 HG SER A 59 11.547 10.803 17.084 1.00 51.41 H new ATOM 896 N LYS A 60 9.530 13.571 20.040 1.00 21.11 N ATOM 897 CA LYS A 60 8.635 14.686 20.324 1.00 41.41 C ATOM 898 C LYS A 60 7.773 15.015 19.109 1.00 44.30 C ATOM 899 O LYS A 60 8.202 15.735 18.208 1.00 2.22 O ATOM 900 CB LYS A 60 9.440 15.920 20.740 1.00 31.44 C ATOM 901 CG LYS A 60 8.696 16.838 21.694 1.00 54.21 C ATOM 902 CD LYS A 60 8.837 16.378 23.135 1.00 12.53 C ATOM 903 CE LYS A 60 7.547 15.759 23.652 1.00 63.24 C ATOM 904 NZ LYS A 60 7.637 15.415 25.098 1.00 62.13 N ATOM 0 H LYS A 60 10.365 13.825 19.512 1.00 21.11 H new ATOM 0 HA LYS A 60 7.980 14.393 21.144 1.00 41.41 H new ATOM 0 HB2 LYS A 60 10.368 15.596 21.210 1.00 31.44 H new ATOM 0 HB3 LYS A 60 9.714 16.482 19.847 1.00 31.44 H new ATOM 0 HG2 LYS A 60 9.080 17.854 21.596 1.00 54.21 H new ATOM 0 HG3 LYS A 60 7.641 16.868 21.422 1.00 54.21 H new ATOM 0 HD2 LYS A 60 9.646 15.651 23.208 1.00 12.53 H new ATOM 0 HD3 LYS A 60 9.112 17.225 23.763 1.00 12.53 H new ATOM 0 HE2 LYS A 60 6.722 16.454 23.495 1.00 63.24 H new ATOM 0 HE3 LYS A 60 7.320 14.860 23.078 1.00 63.24 H new ATOM 0 HZ1 LYS A 60 6.738 14.996 25.412 1.00 62.13 H new ATOM 0 HZ2 LYS A 60 8.408 14.732 25.245 1.00 62.13 H new ATOM 0 HZ3 LYS A 60 7.828 16.276 25.649 1.00 62.13 H new ATOM 918 N GLY A 61 6.555 14.484 19.092 1.00 73.43 N ATOM 919 CA GLY A 61 5.652 14.734 17.983 1.00 30.53 C ATOM 920 C GLY A 61 5.191 16.176 17.925 1.00 14.22 C ATOM 921 O GLY A 61 6.007 17.097 17.953 1.00 71.42 O ATOM 0 H GLY A 61 6.177 13.885 19.826 1.00 73.43 H new ATOM 0 HA2 GLY A 61 6.150 14.477 17.048 1.00 30.53 H new ATOM 0 HA3 GLY A 61 4.783 14.081 18.071 1.00 30.53 H new ATOM 925 N GLU A 62 3.879 16.374 17.843 1.00 75.42 N ATOM 926 CA GLU A 62 3.311 17.715 17.778 1.00 41.31 C ATOM 927 C GLU A 62 2.194 17.884 18.804 1.00 23.10 C ATOM 928 O GLU A 62 1.316 17.031 18.926 1.00 23.40 O ATOM 929 CB GLU A 62 2.775 17.999 16.373 1.00 20.11 C ATOM 930 CG GLU A 62 1.588 17.132 15.988 1.00 21.11 C ATOM 931 CD GLU A 62 1.339 17.114 14.492 1.00 4.44 C ATOM 932 OE1 GLU A 62 2.287 17.396 13.729 1.00 32.24 O ATOM 933 OE2 GLU A 62 0.196 16.819 14.085 1.00 23.42 O ATOM 0 H GLU A 62 3.190 15.623 17.820 1.00 75.42 H new ATOM 0 HA GLU A 62 4.103 18.428 18.008 1.00 41.31 H new ATOM 0 HB2 GLU A 62 2.484 19.048 16.309 1.00 20.11 H new ATOM 0 HB3 GLU A 62 3.576 17.846 15.650 1.00 20.11 H new ATOM 0 HG2 GLU A 62 1.759 16.113 16.336 1.00 21.11 H new ATOM 0 HG3 GLU A 62 0.696 17.497 16.497 1.00 21.11 H new ATOM 940 N GLU A 63 2.236 18.991 19.539 1.00 24.34 N ATOM 941 CA GLU A 63 1.229 19.270 20.556 1.00 41.31 C ATOM 942 C GLU A 63 -0.045 19.822 19.922 1.00 4.53 C ATOM 943 O GLU A 63 -0.011 20.819 19.200 1.00 71.34 O ATOM 944 CB GLU A 63 1.773 20.264 21.584 1.00 14.43 C ATOM 945 CG GLU A 63 2.239 19.612 22.875 1.00 74.53 C ATOM 946 CD GLU A 63 1.998 20.485 24.091 1.00 42.25 C ATOM 947 OE1 GLU A 63 2.461 21.645 24.089 1.00 31.14 O ATOM 948 OE2 GLU A 63 1.347 20.008 25.043 1.00 15.44 O ATOM 0 H GLU A 63 2.956 19.708 19.449 1.00 24.34 H new ATOM 0 HA GLU A 63 0.988 18.334 21.059 1.00 41.31 H new ATOM 0 HB2 GLU A 63 2.606 20.811 21.142 1.00 14.43 H new ATOM 0 HB3 GLU A 63 0.998 20.995 21.815 1.00 14.43 H new ATOM 0 HG2 GLU A 63 1.720 18.662 23.006 1.00 74.53 H new ATOM 0 HG3 GLU A 63 3.303 19.386 22.800 1.00 74.53 H new ATOM 955 N LYS A 64 -1.167 19.168 20.198 1.00 34.41 N ATOM 956 CA LYS A 64 -2.453 19.591 19.657 1.00 14.21 C ATOM 957 C LYS A 64 -3.532 19.566 20.735 1.00 33.40 C ATOM 958 O LYS A 64 -3.459 18.780 21.679 1.00 14.25 O ATOM 959 CB LYS A 64 -2.861 18.688 18.491 1.00 54.54 C ATOM 960 CG LYS A 64 -4.097 19.171 17.751 1.00 11.41 C ATOM 961 CD LYS A 64 -5.345 18.436 18.210 1.00 21.22 C ATOM 962 CE LYS A 64 -5.676 17.271 17.290 1.00 43.14 C ATOM 963 NZ LYS A 64 -6.586 17.679 16.184 1.00 12.32 N ATOM 0 H LYS A 64 -1.212 18.342 20.794 1.00 34.41 H new ATOM 0 HA LYS A 64 -2.348 20.614 19.297 1.00 14.21 H new ATOM 0 HB2 LYS A 64 -2.031 18.619 17.788 1.00 54.54 H new ATOM 0 HB3 LYS A 64 -3.044 17.682 18.868 1.00 54.54 H new ATOM 0 HG2 LYS A 64 -4.224 20.241 17.913 1.00 11.41 H new ATOM 0 HG3 LYS A 64 -3.961 19.025 16.679 1.00 11.41 H new ATOM 0 HD2 LYS A 64 -5.199 18.069 19.226 1.00 21.22 H new ATOM 0 HD3 LYS A 64 -6.186 19.128 18.239 1.00 21.22 H new ATOM 0 HE2 LYS A 64 -4.755 16.866 16.872 1.00 43.14 H new ATOM 0 HE3 LYS A 64 -6.142 16.473 17.868 1.00 43.14 H new ATOM 0 HZ1 LYS A 64 -6.707 16.885 15.523 1.00 12.32 H new ATOM 0 HZ2 LYS A 64 -7.511 17.946 16.576 1.00 12.32 H new ATOM 0 HZ3 LYS A 64 -6.176 18.491 15.679 1.00 12.32 H new ATOM 977 N GLU A 65 -4.532 20.429 20.586 1.00 74.43 N ATOM 978 CA GLU A 65 -5.626 20.503 21.547 1.00 12.02 C ATOM 979 C GLU A 65 -6.943 20.069 20.909 1.00 45.55 C ATOM 980 O GLU A 65 -7.342 20.593 19.868 1.00 31.13 O ATOM 981 CB GLU A 65 -5.757 21.926 22.095 1.00 22.44 C ATOM 982 CG GLU A 65 -4.425 22.565 22.451 1.00 14.42 C ATOM 983 CD GLU A 65 -3.806 23.310 21.285 1.00 64.14 C ATOM 984 OE1 GLU A 65 -4.237 24.450 21.013 1.00 71.14 O ATOM 985 OE2 GLU A 65 -2.890 22.753 20.644 1.00 40.02 O ATOM 0 H GLU A 65 -4.607 21.086 19.810 1.00 74.43 H new ATOM 0 HA GLU A 65 -5.400 19.823 22.369 1.00 12.02 H new ATOM 0 HB2 GLU A 65 -6.262 22.547 21.355 1.00 22.44 H new ATOM 0 HB3 GLU A 65 -6.391 21.908 22.982 1.00 22.44 H new ATOM 0 HG2 GLU A 65 -4.568 23.254 23.283 1.00 14.42 H new ATOM 0 HG3 GLU A 65 -3.735 21.793 22.791 1.00 14.42 H new ATOM 992 N ASP A 66 -7.611 19.110 21.539 1.00 60.14 N ATOM 993 CA ASP A 66 -8.882 18.605 21.033 1.00 15.42 C ATOM 994 C ASP A 66 -9.806 18.212 22.182 1.00 53.32 C ATOM 995 O ASP A 66 -9.547 18.540 23.339 1.00 25.01 O ATOM 996 CB ASP A 66 -8.650 17.404 20.115 1.00 13.31 C ATOM 997 CG ASP A 66 -9.494 17.466 18.857 1.00 60.30 C ATOM 998 OD1 ASP A 66 -9.220 18.333 18.001 1.00 32.14 O ATOM 999 OD2 ASP A 66 -10.429 16.647 18.728 1.00 4.24 O ATOM 0 H ASP A 66 -7.294 18.666 22.401 1.00 60.14 H new ATOM 0 HA ASP A 66 -9.359 19.401 20.462 1.00 15.42 H new ATOM 0 HB2 ASP A 66 -7.596 17.358 19.840 1.00 13.31 H new ATOM 0 HB3 ASP A 66 -8.878 16.486 20.657 1.00 13.31 H new ATOM 1004 N GLU A 67 -10.885 17.509 21.853 1.00 54.13 N ATOM 1005 CA GLU A 67 -11.848 17.074 22.857 1.00 33.34 C ATOM 1006 C GLU A 67 -11.760 15.566 23.079 1.00 44.42 C ATOM 1007 O GLU A 67 -12.405 15.020 23.973 1.00 34.02 O ATOM 1008 CB GLU A 67 -13.268 17.455 22.434 1.00 13.32 C ATOM 1009 CG GLU A 67 -13.594 17.090 20.996 1.00 63.23 C ATOM 1010 CD GLU A 67 -14.985 17.530 20.582 1.00 24.02 C ATOM 1011 OE1 GLU A 67 -15.897 17.487 21.434 1.00 74.45 O ATOM 1012 OE2 GLU A 67 -15.161 17.917 19.408 1.00 5.33 O ATOM 0 H GLU A 67 -11.114 17.229 20.899 1.00 54.13 H new ATOM 0 HA GLU A 67 -11.608 17.577 23.794 1.00 33.34 H new ATOM 0 HB2 GLU A 67 -13.980 16.961 23.095 1.00 13.32 H new ATOM 0 HB3 GLU A 67 -13.402 18.529 22.567 1.00 13.32 H new ATOM 0 HG2 GLU A 67 -12.860 17.549 20.334 1.00 63.23 H new ATOM 0 HG3 GLU A 67 -13.506 16.011 20.870 1.00 63.23 H new ATOM 1019 N PHE A 68 -10.955 14.900 22.257 1.00 14.01 N ATOM 1020 CA PHE A 68 -10.783 13.456 22.361 1.00 25.21 C ATOM 1021 C PHE A 68 -9.677 13.111 23.355 1.00 74.50 C ATOM 1022 O PHE A 68 -9.381 11.939 23.589 1.00 72.41 O ATOM 1023 CB PHE A 68 -10.456 12.860 20.990 1.00 24.13 C ATOM 1024 CG PHE A 68 -11.652 12.734 20.091 1.00 62.23 C ATOM 1025 CD1 PHE A 68 -12.401 13.849 19.752 1.00 34.24 C ATOM 1026 CD2 PHE A 68 -12.027 11.500 19.584 1.00 61.01 C ATOM 1027 CE1 PHE A 68 -13.503 13.736 18.925 1.00 45.44 C ATOM 1028 CE2 PHE A 68 -13.127 11.381 18.755 1.00 3.53 C ATOM 1029 CZ PHE A 68 -13.866 12.501 18.426 1.00 31.32 C ATOM 0 H PHE A 68 -10.412 15.337 21.512 1.00 14.01 H new ATOM 0 HA PHE A 68 -11.719 13.028 22.722 1.00 25.21 H new ATOM 0 HB2 PHE A 68 -9.708 13.484 20.501 1.00 24.13 H new ATOM 0 HB3 PHE A 68 -10.010 11.875 21.128 1.00 24.13 H new ATOM 0 HD1 PHE A 68 -12.121 14.818 20.138 1.00 34.24 H new ATOM 0 HD2 PHE A 68 -11.453 10.621 19.839 1.00 61.01 H new ATOM 0 HE1 PHE A 68 -14.079 14.613 18.670 1.00 45.44 H new ATOM 0 HE2 PHE A 68 -13.408 10.414 18.365 1.00 3.53 H new ATOM 0 HZ PHE A 68 -14.726 12.411 17.779 1.00 31.32 H new ATOM 1039 N PHE A 69 -9.070 14.140 23.937 1.00 73.43 N ATOM 1040 CA PHE A 69 -7.997 13.947 24.904 1.00 24.53 C ATOM 1041 C PHE A 69 -7.569 15.278 25.515 1.00 22.10 C ATOM 1042 O PHE A 69 -7.219 15.350 26.692 1.00 33.54 O ATOM 1043 CB PHE A 69 -6.797 13.269 24.238 1.00 0.25 C ATOM 1044 CG PHE A 69 -6.085 14.148 23.250 1.00 24.14 C ATOM 1045 CD1 PHE A 69 -6.730 14.592 22.107 1.00 2.35 C ATOM 1046 CD2 PHE A 69 -4.770 14.530 23.465 1.00 72.04 C ATOM 1047 CE1 PHE A 69 -6.076 15.400 21.196 1.00 13.33 C ATOM 1048 CE2 PHE A 69 -4.112 15.338 22.557 1.00 4.31 C ATOM 1049 CZ PHE A 69 -4.766 15.775 21.422 1.00 70.30 C ATOM 0 H PHE A 69 -9.303 15.116 23.755 1.00 73.43 H new ATOM 0 HA PHE A 69 -8.372 13.305 25.701 1.00 24.53 H new ATOM 0 HB2 PHE A 69 -6.092 12.957 25.009 1.00 0.25 H new ATOM 0 HB3 PHE A 69 -7.135 12.366 23.731 1.00 0.25 H new ATOM 0 HD1 PHE A 69 -7.755 14.304 21.926 1.00 2.35 H new ATOM 0 HD2 PHE A 69 -4.254 14.193 24.352 1.00 72.04 H new ATOM 0 HE1 PHE A 69 -6.589 15.738 20.308 1.00 13.33 H new ATOM 0 HE2 PHE A 69 -3.087 15.627 22.735 1.00 4.31 H new ATOM 0 HZ PHE A 69 -4.254 16.409 20.713 1.00 70.30 H new ATOM 1059 N GLY A 70 -7.599 16.331 24.704 1.00 0.21 N ATOM 1060 CA GLY A 70 -7.212 17.646 25.181 1.00 23.10 C ATOM 1061 C GLY A 70 -5.918 18.131 24.558 1.00 50.15 C ATOM 1062 O GLY A 70 -5.631 17.834 23.398 1.00 44.22 O ATOM 0 H GLY A 70 -7.884 16.297 23.725 1.00 0.21 H new ATOM 0 HA2 GLY A 70 -8.007 18.358 24.960 1.00 23.10 H new ATOM 0 HA3 GLY A 70 -7.102 17.618 26.265 1.00 23.10 H new ATOM 1066 N ARG A 71 -5.136 18.881 25.328 1.00 74.32 N ATOM 1067 CA ARG A 71 -3.868 19.410 24.843 1.00 44.41 C ATOM 1068 C ARG A 71 -2.720 18.462 25.176 1.00 4.14 C ATOM 1069 O ARG A 71 -2.247 18.421 26.312 1.00 61.31 O ATOM 1070 CB ARG A 71 -3.599 20.788 25.452 1.00 32.45 C ATOM 1071 CG ARG A 71 -4.826 21.684 25.495 1.00 3.22 C ATOM 1072 CD ARG A 71 -5.465 21.688 26.875 1.00 1.30 C ATOM 1073 NE ARG A 71 -5.477 23.022 27.469 1.00 44.51 N ATOM 1074 CZ ARG A 71 -5.785 23.259 28.739 1.00 21.22 C ATOM 1075 NH1 ARG A 71 -6.105 22.256 29.545 1.00 61.51 N ATOM 1076 NH2 ARG A 71 -5.773 24.501 29.206 1.00 30.21 N ATOM 0 H ARG A 71 -5.359 19.136 26.290 1.00 74.32 H new ATOM 0 HA ARG A 71 -3.934 19.506 23.759 1.00 44.41 H new ATOM 0 HB2 ARG A 71 -3.217 20.660 26.465 1.00 32.45 H new ATOM 0 HB3 ARG A 71 -2.817 21.284 24.877 1.00 32.45 H new ATOM 0 HG2 ARG A 71 -4.545 22.701 25.220 1.00 3.22 H new ATOM 0 HG3 ARG A 71 -5.553 21.343 24.757 1.00 3.22 H new ATOM 0 HD2 ARG A 71 -6.486 21.314 26.803 1.00 1.30 H new ATOM 0 HD3 ARG A 71 -4.921 21.005 27.528 1.00 1.30 H new ATOM 0 HE ARG A 71 -5.235 23.816 26.876 1.00 44.51 H new ATOM 0 HH11 ARG A 71 -6.115 21.300 29.190 1.00 61.51 H new ATOM 0 HH12 ARG A 71 -6.341 22.441 30.520 1.00 61.51 H new ATOM 0 HH21 ARG A 71 -5.527 25.275 28.589 1.00 30.21 H new ATOM 0 HH22 ARG A 71 -6.010 24.681 30.182 1.00 30.21 H new ATOM 1090 N GLN A 72 -2.278 17.703 24.179 1.00 25.32 N ATOM 1091 CA GLN A 72 -1.186 16.754 24.368 1.00 51.42 C ATOM 1092 C GLN A 72 -0.432 16.526 23.062 1.00 22.21 C ATOM 1093 O GLN A 72 -0.876 16.948 21.994 1.00 64.34 O ATOM 1094 CB GLN A 72 -1.724 15.425 24.899 1.00 22.35 C ATOM 1095 CG GLN A 72 -0.895 14.843 26.034 1.00 53.24 C ATOM 1096 CD GLN A 72 0.022 13.727 25.574 1.00 51.24 C ATOM 1097 OE1 GLN A 72 -0.306 12.978 24.653 1.00 51.21 O ATOM 1098 NE2 GLN A 72 1.179 13.610 26.214 1.00 45.34 N ATOM 0 H GLN A 72 -2.658 17.726 23.233 1.00 25.32 H new ATOM 0 HA GLN A 72 -0.494 17.175 25.097 1.00 51.42 H new ATOM 0 HB2 GLN A 72 -2.748 15.569 25.245 1.00 22.35 H new ATOM 0 HB3 GLN A 72 -1.762 14.705 24.081 1.00 22.35 H new ATOM 0 HG2 GLN A 72 -0.298 15.635 26.486 1.00 53.24 H new ATOM 0 HG3 GLN A 72 -1.562 14.464 26.809 1.00 53.24 H new ATOM 0 HE21 GLN A 72 1.410 14.253 26.972 1.00 45.34 H new ATOM 0 HE22 GLN A 72 1.837 12.877 25.948 1.00 45.34 H new ATOM 1107 N THR A 73 0.712 15.855 23.155 1.00 43.02 N ATOM 1108 CA THR A 73 1.529 15.572 21.982 1.00 64.33 C ATOM 1109 C THR A 73 1.079 14.288 21.295 1.00 74.50 C ATOM 1110 O THR A 73 0.724 13.310 21.954 1.00 1.35 O ATOM 1111 CB THR A 73 3.019 15.447 22.352 1.00 64.23 C ATOM 1112 OG1 THR A 73 3.333 16.338 23.428 1.00 44.04 O ATOM 1113 CG2 THR A 73 3.903 15.759 21.153 1.00 14.53 C ATOM 0 H THR A 73 1.093 15.498 24.031 1.00 43.02 H new ATOM 0 HA THR A 73 1.401 16.411 21.298 1.00 64.33 H new ATOM 0 HB THR A 73 3.208 14.420 22.665 1.00 64.23 H new ATOM 0 HG1 THR A 73 4.282 16.251 23.658 1.00 44.04 H new ATOM 0 HG21 THR A 73 4.951 15.664 21.439 1.00 14.53 H new ATOM 0 HG22 THR A 73 3.682 15.060 20.346 1.00 14.53 H new ATOM 0 HG23 THR A 73 3.710 16.777 20.814 1.00 14.53 H new ATOM 1121 N VAL A 74 1.095 14.296 19.966 1.00 61.52 N ATOM 1122 CA VAL A 74 0.690 13.130 19.189 1.00 14.12 C ATOM 1123 C VAL A 74 1.593 12.936 17.977 1.00 64.11 C ATOM 1124 O VAL A 74 2.449 13.773 17.687 1.00 72.42 O ATOM 1125 CB VAL A 74 -0.770 13.253 18.713 1.00 11.11 C ATOM 1126 CG1 VAL A 74 -1.682 13.615 19.875 1.00 12.32 C ATOM 1127 CG2 VAL A 74 -0.881 14.281 17.597 1.00 32.20 C ATOM 0 H VAL A 74 1.384 15.097 19.405 1.00 61.52 H new ATOM 0 HA VAL A 74 0.779 12.265 19.846 1.00 14.12 H new ATOM 0 HB VAL A 74 -1.089 12.288 18.320 1.00 11.11 H new ATOM 0 HG11 VAL A 74 -2.709 13.698 19.519 1.00 12.32 H new ATOM 0 HG12 VAL A 74 -1.624 12.839 20.639 1.00 12.32 H new ATOM 0 HG13 VAL A 74 -1.368 14.568 20.301 1.00 12.32 H new ATOM 0 HG21 VAL A 74 -1.919 14.355 17.273 1.00 32.20 H new ATOM 0 HG22 VAL A 74 -0.544 15.252 17.962 1.00 32.20 H new ATOM 0 HG23 VAL A 74 -0.259 13.974 16.756 1.00 32.20 H new ATOM 1137 N TYR A 75 1.398 11.827 17.272 1.00 52.31 N ATOM 1138 CA TYR A 75 2.197 11.522 16.091 1.00 33.51 C ATOM 1139 C TYR A 75 1.316 11.417 14.850 1.00 42.45 C ATOM 1140 O TYR A 75 0.254 10.794 14.877 1.00 4.34 O ATOM 1141 CB TYR A 75 2.967 10.216 16.295 1.00 72.33 C ATOM 1142 CG TYR A 75 3.876 10.231 17.503 1.00 72.21 C ATOM 1143 CD1 TYR A 75 4.808 11.245 17.683 1.00 64.22 C ATOM 1144 CD2 TYR A 75 3.801 9.231 18.465 1.00 1.33 C ATOM 1145 CE1 TYR A 75 5.641 11.262 18.785 1.00 63.03 C ATOM 1146 CE2 TYR A 75 4.629 9.241 19.571 1.00 11.23 C ATOM 1147 CZ TYR A 75 5.548 10.258 19.726 1.00 14.32 C ATOM 1148 OH TYR A 75 6.375 10.273 20.826 1.00 35.30 O ATOM 0 H TYR A 75 0.694 11.125 17.498 1.00 52.31 H new ATOM 0 HA TYR A 75 2.907 12.336 15.943 1.00 33.51 H new ATOM 0 HB2 TYR A 75 2.255 9.397 16.397 1.00 72.33 H new ATOM 0 HB3 TYR A 75 3.563 10.012 15.405 1.00 72.33 H new ATOM 0 HD1 TYR A 75 4.883 12.034 16.949 1.00 64.22 H new ATOM 0 HD2 TYR A 75 3.083 8.433 18.346 1.00 1.33 H new ATOM 0 HE1 TYR A 75 6.361 12.057 18.909 1.00 63.03 H new ATOM 0 HE2 TYR A 75 4.557 8.457 20.310 1.00 11.23 H new ATOM 0 HH TYR A 75 6.961 11.058 20.784 1.00 35.30 H new ATOM 1158 N HIS A 76 1.766 12.032 13.760 1.00 12.20 N ATOM 1159 CA HIS A 76 1.020 12.009 12.506 1.00 25.54 C ATOM 1160 C HIS A 76 1.551 10.919 11.580 1.00 73.43 C ATOM 1161 O HIS A 76 0.953 10.626 10.543 1.00 4.02 O ATOM 1162 CB HIS A 76 1.104 13.369 11.813 1.00 20.32 C ATOM 1163 CG HIS A 76 2.445 13.652 11.209 1.00 72.43 C ATOM 1164 ND1 HIS A 76 2.625 14.513 10.147 1.00 61.21 N ATOM 1165 CD2 HIS A 76 3.675 13.183 11.524 1.00 32.10 C ATOM 1166 CE1 HIS A 76 3.908 14.560 9.834 1.00 13.23 C ATOM 1167 NE2 HIS A 76 4.567 13.762 10.655 1.00 15.53 N ATOM 0 H HIS A 76 2.643 12.552 13.720 1.00 12.20 H new ATOM 0 HA HIS A 76 -0.023 11.791 12.735 1.00 25.54 H new ATOM 0 HB2 HIS A 76 0.345 13.417 11.032 1.00 20.32 H new ATOM 0 HB3 HIS A 76 0.868 14.151 12.535 1.00 20.32 H new ATOM 0 HD2 HIS A 76 3.911 12.483 12.312 1.00 32.10 H new ATOM 0 HE1 HIS A 76 4.344 15.150 9.042 1.00 13.23 H new ATOM 0 HE2 HIS A 76 5.574 13.602 10.645 1.00 15.53 H new ATOM 1175 N HIS A 77 2.676 10.321 11.959 1.00 10.43 N ATOM 1176 CA HIS A 77 3.287 9.264 11.162 1.00 72.21 C ATOM 1177 C HIS A 77 4.502 8.678 11.875 1.00 14.23 C ATOM 1178 O HIS A 77 4.567 7.475 12.122 1.00 31.51 O ATOM 1179 CB HIS A 77 3.696 9.802 9.791 1.00 64.24 C ATOM 1180 CG HIS A 77 4.224 8.748 8.867 1.00 63.32 C ATOM 1181 ND1 HIS A 77 3.660 8.471 7.640 1.00 53.14 N ATOM 1182 CD2 HIS A 77 5.273 7.902 8.996 1.00 32.52 C ATOM 1183 CE1 HIS A 77 4.337 7.499 7.055 1.00 51.22 C ATOM 1184 NE2 HIS A 77 5.321 7.136 7.857 1.00 3.11 N ATOM 0 H HIS A 77 3.183 10.551 12.814 1.00 10.43 H new ATOM 0 HA HIS A 77 2.550 8.472 11.028 1.00 72.21 H new ATOM 0 HB2 HIS A 77 2.835 10.282 9.327 1.00 64.24 H new ATOM 0 HB3 HIS A 77 4.457 10.571 9.924 1.00 64.24 H new ATOM 0 HD1 HIS A 77 2.847 8.943 7.245 1.00 53.14 H new ATOM 0 HD2 HIS A 77 5.947 7.841 9.838 1.00 32.52 H new ATOM 0 HE1 HIS A 77 4.122 7.074 6.086 1.00 51.22 H new ATOM 1192 N GLU A 78 5.461 9.538 12.203 1.00 41.12 N ATOM 1193 CA GLU A 78 6.674 9.104 12.886 1.00 0.42 C ATOM 1194 C GLU A 78 6.421 8.923 14.380 1.00 23.41 C ATOM 1195 O GLU A 78 5.819 9.779 15.027 1.00 22.22 O ATOM 1196 CB GLU A 78 7.799 10.118 12.668 1.00 63.02 C ATOM 1197 CG GLU A 78 7.410 11.544 13.019 1.00 43.34 C ATOM 1198 CD GLU A 78 8.452 12.239 13.874 1.00 14.32 C ATOM 1199 OE1 GLU A 78 9.657 11.995 13.658 1.00 11.12 O ATOM 1200 OE2 GLU A 78 8.060 13.028 14.760 1.00 43.11 O ATOM 0 H GLU A 78 5.422 10.538 12.007 1.00 41.12 H new ATOM 0 HA GLU A 78 6.973 8.144 12.466 1.00 0.42 H new ATOM 0 HB2 GLU A 78 8.660 9.827 13.269 1.00 63.02 H new ATOM 0 HB3 GLU A 78 8.112 10.082 11.624 1.00 63.02 H new ATOM 0 HG2 GLU A 78 7.261 12.112 12.101 1.00 43.34 H new ATOM 0 HG3 GLU A 78 6.457 11.537 13.548 1.00 43.34 H new ATOM 1207 N ALA A 79 6.886 7.801 14.921 1.00 73.25 N ATOM 1208 CA ALA A 79 6.712 7.506 16.337 1.00 11.45 C ATOM 1209 C ALA A 79 7.684 6.425 16.797 1.00 41.21 C ATOM 1210 O ALA A 79 7.384 5.234 16.717 1.00 43.34 O ATOM 1211 CB ALA A 79 5.278 7.082 16.616 1.00 15.23 C ATOM 0 H ALA A 79 7.386 7.082 14.399 1.00 73.25 H new ATOM 0 HA ALA A 79 6.927 8.414 16.900 1.00 11.45 H new ATOM 0 HB1 ALA A 79 5.163 6.865 17.678 1.00 15.23 H new ATOM 0 HB2 ALA A 79 4.599 7.887 16.335 1.00 15.23 H new ATOM 0 HB3 ALA A 79 5.043 6.190 16.036 1.00 15.23 H new ATOM 1217 N GLN A 80 8.849 6.848 17.277 1.00 12.53 N ATOM 1218 CA GLN A 80 9.865 5.915 17.748 1.00 62.12 C ATOM 1219 C GLN A 80 10.161 6.133 19.228 1.00 43.01 C ATOM 1220 O GLN A 80 10.280 7.269 19.687 1.00 13.12 O ATOM 1221 CB GLN A 80 11.149 6.071 16.930 1.00 33.24 C ATOM 1222 CG GLN A 80 12.382 5.515 17.623 1.00 5.11 C ATOM 1223 CD GLN A 80 13.285 4.746 16.679 1.00 60.40 C ATOM 1224 OE1 GLN A 80 13.424 3.527 16.789 1.00 15.13 O ATOM 1225 NE2 GLN A 80 13.905 5.455 15.743 1.00 62.40 N ATOM 0 H GLN A 80 9.112 7.831 17.350 1.00 12.53 H new ATOM 0 HA GLN A 80 9.481 4.903 17.619 1.00 62.12 H new ATOM 0 HB2 GLN A 80 11.023 5.568 15.972 1.00 33.24 H new ATOM 0 HB3 GLN A 80 11.308 7.128 16.716 1.00 33.24 H new ATOM 0 HG2 GLN A 80 12.944 6.335 18.070 1.00 5.11 H new ATOM 0 HG3 GLN A 80 12.072 4.860 18.437 1.00 5.11 H new ATOM 0 HE21 GLN A 80 13.761 6.463 15.688 1.00 62.40 H new ATOM 0 HE22 GLN A 80 14.525 4.991 15.079 1.00 62.40 H new ATOM 1234 N VAL A 81 10.280 5.037 19.971 1.00 75.14 N ATOM 1235 CA VAL A 81 10.562 5.108 21.399 1.00 4.11 C ATOM 1236 C VAL A 81 11.839 4.350 21.745 1.00 1.21 C ATOM 1237 O VAL A 81 12.007 3.191 21.367 1.00 52.22 O ATOM 1238 CB VAL A 81 9.398 4.538 22.231 1.00 63.41 C ATOM 1239 CG1 VAL A 81 9.574 4.882 23.702 1.00 22.41 C ATOM 1240 CG2 VAL A 81 8.067 5.056 21.709 1.00 12.20 C ATOM 0 H VAL A 81 10.185 4.089 19.607 1.00 75.14 H new ATOM 0 HA VAL A 81 10.691 6.162 21.644 1.00 4.11 H new ATOM 0 HB VAL A 81 9.402 3.452 22.134 1.00 63.41 H new ATOM 0 HG11 VAL A 81 8.742 4.471 24.274 1.00 22.41 H new ATOM 0 HG12 VAL A 81 10.509 4.457 24.066 1.00 22.41 H new ATOM 0 HG13 VAL A 81 9.597 5.965 23.822 1.00 22.41 H new ATOM 0 HG21 VAL A 81 7.256 4.643 22.308 1.00 12.20 H new ATOM 0 HG22 VAL A 81 8.049 6.144 21.774 1.00 12.20 H new ATOM 0 HG23 VAL A 81 7.941 4.753 20.670 1.00 12.20 H new ATOM 1250 N ALA A 82 12.737 5.013 22.467 1.00 32.30 N ATOM 1251 CA ALA A 82 13.998 4.401 22.867 1.00 70.24 C ATOM 1252 C ALA A 82 13.899 3.802 24.265 1.00 34.34 C ATOM 1253 O ALA A 82 13.343 4.416 25.177 1.00 64.13 O ATOM 1254 CB ALA A 82 15.123 5.423 22.807 1.00 1.40 C ATOM 0 H ALA A 82 12.614 5.974 22.787 1.00 32.30 H new ATOM 0 HA ALA A 82 14.218 3.593 22.169 1.00 70.24 H new ATOM 0 HB1 ALA A 82 16.059 4.952 23.108 1.00 1.40 H new ATOM 0 HB2 ALA A 82 15.218 5.800 21.789 1.00 1.40 H new ATOM 0 HB3 ALA A 82 14.900 6.250 23.481 1.00 1.40 H new ATOM 1260 N PHE A 83 14.439 2.599 24.429 1.00 64.24 N ATOM 1261 CA PHE A 83 14.410 1.916 25.717 1.00 70.13 C ATOM 1262 C PHE A 83 15.824 1.626 26.211 1.00 2.42 C ATOM 1263 O PHE A 83 16.351 0.525 26.053 1.00 42.03 O ATOM 1264 CB PHE A 83 13.618 0.611 25.608 1.00 25.11 C ATOM 1265 CG PHE A 83 12.320 0.757 24.867 1.00 1.33 C ATOM 1266 CD1 PHE A 83 11.388 1.705 25.257 1.00 12.22 C ATOM 1267 CD2 PHE A 83 12.032 -0.054 23.781 1.00 14.44 C ATOM 1268 CE1 PHE A 83 10.192 1.843 24.578 1.00 61.25 C ATOM 1269 CE2 PHE A 83 10.838 0.080 23.098 1.00 71.33 C ATOM 1270 CZ PHE A 83 9.917 1.028 23.497 1.00 55.11 C ATOM 0 H PHE A 83 14.902 2.077 23.685 1.00 64.24 H new ATOM 0 HA PHE A 83 13.920 2.572 26.437 1.00 70.13 H new ATOM 0 HB2 PHE A 83 14.232 -0.136 25.105 1.00 25.11 H new ATOM 0 HB3 PHE A 83 13.414 0.234 26.610 1.00 25.11 H new ATOM 0 HD1 PHE A 83 11.599 2.344 26.102 1.00 12.22 H new ATOM 0 HD2 PHE A 83 12.748 -0.798 23.465 1.00 14.44 H new ATOM 0 HE1 PHE A 83 9.474 2.586 24.892 1.00 61.25 H new ATOM 0 HE2 PHE A 83 10.625 -0.557 22.252 1.00 71.33 H new ATOM 0 HZ PHE A 83 8.983 1.132 22.965 1.00 55.11 H new ATOM 1280 N PRO A 84 16.455 2.639 26.825 1.00 73.22 N ATOM 1281 CA PRO A 84 17.816 2.518 27.355 1.00 0.41 C ATOM 1282 C PRO A 84 17.884 1.607 28.576 1.00 41.02 C ATOM 1283 O PRO A 84 17.121 1.771 29.528 1.00 71.40 O ATOM 1284 CB PRO A 84 18.175 3.956 27.740 1.00 21.33 C ATOM 1285 CG PRO A 84 16.865 4.618 27.995 1.00 2.10 C ATOM 1286 CD PRO A 84 15.887 3.979 27.049 1.00 40.04 C ATOM 0 HA PRO A 84 18.498 2.073 26.630 1.00 0.41 H new ATOM 0 HB2 PRO A 84 18.811 3.982 28.625 1.00 21.33 H new ATOM 0 HB3 PRO A 84 18.722 4.455 26.940 1.00 21.33 H new ATOM 0 HG2 PRO A 84 16.553 4.480 29.030 1.00 2.10 H new ATOM 0 HG3 PRO A 84 16.930 5.692 27.822 1.00 2.10 H new ATOM 0 HD2 PRO A 84 14.887 3.925 27.480 1.00 40.04 H new ATOM 0 HD3 PRO A 84 15.803 4.540 26.119 1.00 40.04 H new ATOM 1294 N TYR A 85 18.802 0.648 28.541 1.00 22.34 N ATOM 1295 CA TYR A 85 18.968 -0.291 29.645 1.00 63.25 C ATOM 1296 C TYR A 85 19.463 0.424 30.898 1.00 34.45 C ATOM 1297 O TYR A 85 20.239 1.375 30.819 1.00 53.22 O ATOM 1298 CB TYR A 85 19.949 -1.399 29.256 1.00 75.13 C ATOM 1299 CG TYR A 85 19.490 -2.226 28.076 1.00 64.22 C ATOM 1300 CD1 TYR A 85 18.149 -2.545 27.905 1.00 33.00 C ATOM 1301 CD2 TYR A 85 20.399 -2.690 27.132 1.00 11.23 C ATOM 1302 CE1 TYR A 85 17.725 -3.301 26.829 1.00 65.00 C ATOM 1303 CE2 TYR A 85 19.985 -3.445 26.052 1.00 35.05 C ATOM 1304 CZ TYR A 85 18.647 -3.748 25.905 1.00 20.23 C ATOM 1305 OH TYR A 85 18.230 -4.502 24.832 1.00 44.53 O ATOM 0 H TYR A 85 19.442 0.500 27.761 1.00 22.34 H new ATOM 0 HA TYR A 85 17.996 -0.734 29.861 1.00 63.25 H new ATOM 0 HB2 TYR A 85 20.915 -0.952 29.022 1.00 75.13 H new ATOM 0 HB3 TYR A 85 20.101 -2.056 30.113 1.00 75.13 H new ATOM 0 HD1 TYR A 85 17.425 -2.196 28.626 1.00 33.00 H new ATOM 0 HD2 TYR A 85 21.447 -2.456 27.245 1.00 11.23 H new ATOM 0 HE1 TYR A 85 16.678 -3.541 26.712 1.00 65.00 H new ATOM 0 HE2 TYR A 85 20.704 -3.796 25.327 1.00 35.05 H new ATOM 0 HH TYR A 85 17.456 -5.043 25.094 1.00 44.53 H new ATOM 1315 N ALA A 86 19.007 -0.044 32.056 1.00 11.52 N ATOM 1316 CA ALA A 86 19.404 0.548 33.328 1.00 73.00 C ATOM 1317 C ALA A 86 20.505 -0.270 33.994 1.00 35.33 C ATOM 1318 O ALA A 86 21.319 0.263 34.748 1.00 32.35 O ATOM 1319 CB ALA A 86 18.201 0.669 34.252 1.00 52.22 C ATOM 0 H ALA A 86 18.363 -0.831 32.139 1.00 11.52 H new ATOM 0 HA ALA A 86 19.798 1.545 33.130 1.00 73.00 H new ATOM 0 HB1 ALA A 86 18.512 1.112 35.198 1.00 52.22 H new ATOM 0 HB2 ALA A 86 17.446 1.302 33.785 1.00 52.22 H new ATOM 0 HB3 ALA A 86 17.782 -0.320 34.435 1.00 52.22 H new ATOM 1325 N LYS A 87 20.524 -1.568 33.712 1.00 74.51 N ATOM 1326 CA LYS A 87 21.525 -2.462 34.283 1.00 14.41 C ATOM 1327 C LYS A 87 21.845 -3.604 33.325 1.00 74.24 C ATOM 1328 O LYS A 87 20.982 -4.056 32.572 1.00 13.33 O ATOM 1329 CB LYS A 87 21.033 -3.024 35.619 1.00 61.54 C ATOM 1330 CG LYS A 87 21.086 -2.022 36.758 1.00 45.51 C ATOM 1331 CD LYS A 87 22.518 -1.705 37.156 1.00 65.22 C ATOM 1332 CE LYS A 87 22.978 -2.571 38.319 1.00 61.34 C ATOM 1333 NZ LYS A 87 24.357 -2.222 38.759 1.00 62.20 N ATOM 0 H LYS A 87 19.857 -2.025 33.091 1.00 74.51 H new ATOM 0 HA LYS A 87 22.436 -1.887 34.451 1.00 14.41 H new ATOM 0 HB2 LYS A 87 20.007 -3.373 35.501 1.00 61.54 H new ATOM 0 HB3 LYS A 87 21.637 -3.893 35.882 1.00 61.54 H new ATOM 0 HG2 LYS A 87 20.579 -1.104 36.460 1.00 45.51 H new ATOM 0 HG3 LYS A 87 20.548 -2.419 37.619 1.00 45.51 H new ATOM 0 HD2 LYS A 87 23.177 -1.861 36.302 1.00 65.22 H new ATOM 0 HD3 LYS A 87 22.596 -0.653 37.431 1.00 65.22 H new ATOM 0 HE2 LYS A 87 22.289 -2.452 39.155 1.00 61.34 H new ATOM 0 HE3 LYS A 87 22.945 -3.620 38.026 1.00 61.34 H new ATOM 0 HZ1 LYS A 87 24.633 -2.834 39.553 1.00 62.20 H new ATOM 0 HZ2 LYS A 87 25.019 -2.360 37.969 1.00 62.20 H new ATOM 0 HZ3 LYS A 87 24.383 -1.228 39.063 1.00 62.20 H new ATOM 1347 N ALA A 88 23.089 -4.068 33.359 1.00 65.13 N ATOM 1348 CA ALA A 88 23.522 -5.160 32.496 1.00 74.44 C ATOM 1349 C ALA A 88 22.614 -6.376 32.653 1.00 44.04 C ATOM 1350 O ALA A 88 22.345 -6.822 33.768 1.00 62.52 O ATOM 1351 CB ALA A 88 24.965 -5.534 32.799 1.00 11.24 C ATOM 0 H ALA A 88 23.816 -3.704 33.975 1.00 65.13 H new ATOM 0 HA ALA A 88 23.457 -4.820 31.462 1.00 74.44 H new ATOM 0 HB1 ALA A 88 25.274 -6.351 32.147 1.00 11.24 H new ATOM 0 HB2 ALA A 88 25.608 -4.671 32.629 1.00 11.24 H new ATOM 0 HB3 ALA A 88 25.048 -5.849 33.839 1.00 11.24 H new ATOM 1357 N VAL A 89 22.145 -6.907 31.528 1.00 34.22 N ATOM 1358 CA VAL A 89 21.268 -8.072 31.541 1.00 14.12 C ATOM 1359 C VAL A 89 21.646 -9.057 30.441 1.00 51.02 C ATOM 1360 O VAL A 89 21.395 -8.813 29.261 1.00 33.15 O ATOM 1361 CB VAL A 89 19.792 -7.665 31.366 1.00 22.52 C ATOM 1362 CG1 VAL A 89 18.877 -8.852 31.625 1.00 71.53 C ATOM 1363 CG2 VAL A 89 19.447 -6.505 32.287 1.00 10.11 C ATOM 0 H VAL A 89 22.358 -6.549 30.597 1.00 34.22 H new ATOM 0 HA VAL A 89 21.393 -8.551 32.512 1.00 14.12 H new ATOM 0 HB VAL A 89 19.642 -7.339 30.337 1.00 22.52 H new ATOM 0 HG11 VAL A 89 17.839 -8.546 31.497 1.00 71.53 H new ATOM 0 HG12 VAL A 89 19.109 -9.651 30.921 1.00 71.53 H new ATOM 0 HG13 VAL A 89 19.026 -9.211 32.643 1.00 71.53 H new ATOM 0 HG21 VAL A 89 18.401 -6.231 32.150 1.00 10.11 H new ATOM 0 HG22 VAL A 89 19.612 -6.801 33.323 1.00 10.11 H new ATOM 0 HG23 VAL A 89 20.080 -5.650 32.049 1.00 10.11 H new ATOM 1373 N GLY A 90 22.252 -10.173 30.836 1.00 50.25 N ATOM 1374 CA GLY A 90 22.655 -11.179 29.871 1.00 42.03 C ATOM 1375 C GLY A 90 21.506 -12.075 29.453 1.00 63.02 C ATOM 1376 O GLY A 90 21.643 -12.881 28.533 1.00 32.13 O ATOM 0 H GLY A 90 22.471 -10.398 31.807 1.00 50.25 H new ATOM 0 HA2 GLY A 90 23.068 -10.688 28.990 1.00 42.03 H new ATOM 0 HA3 GLY A 90 23.451 -11.789 30.298 1.00 42.03 H new ATOM 1380 N GLU A 91 20.372 -11.935 30.131 1.00 34.02 N ATOM 1381 CA GLU A 91 19.195 -12.741 29.826 1.00 64.11 C ATOM 1382 C GLU A 91 18.207 -11.958 28.967 1.00 50.22 C ATOM 1383 O GLU A 91 18.272 -10.733 28.862 1.00 53.20 O ATOM 1384 CB GLU A 91 18.514 -13.199 31.117 1.00 24.13 C ATOM 1385 CG GLU A 91 18.919 -14.596 31.556 1.00 34.51 C ATOM 1386 CD GLU A 91 17.769 -15.370 32.171 1.00 33.24 C ATOM 1387 OE1 GLU A 91 17.019 -16.021 31.413 1.00 2.31 O ATOM 1388 OE2 GLU A 91 17.618 -15.325 33.410 1.00 21.31 O ATOM 0 H GLU A 91 20.243 -11.272 30.895 1.00 34.02 H new ATOM 0 HA GLU A 91 19.522 -13.617 29.266 1.00 64.11 H new ATOM 0 HB2 GLU A 91 18.752 -12.494 31.913 1.00 24.13 H new ATOM 0 HB3 GLU A 91 17.433 -13.170 30.978 1.00 24.13 H new ATOM 0 HG2 GLU A 91 19.304 -15.146 30.697 1.00 34.51 H new ATOM 0 HG3 GLU A 91 19.732 -14.524 32.279 1.00 34.51 H new ATOM 1395 N PRO A 92 17.269 -12.681 28.336 1.00 5.32 N ATOM 1396 CA PRO A 92 16.249 -12.075 27.475 1.00 23.21 C ATOM 1397 C PRO A 92 15.230 -11.263 28.267 1.00 42.12 C ATOM 1398 O PRO A 92 14.953 -11.560 29.429 1.00 20.00 O ATOM 1399 CB PRO A 92 15.577 -13.283 26.819 1.00 74.43 C ATOM 1400 CG PRO A 92 15.799 -14.405 27.773 1.00 34.52 C ATOM 1401 CD PRO A 92 17.133 -14.145 28.416 1.00 52.32 C ATOM 0 HA PRO A 92 16.681 -11.371 26.763 1.00 23.21 H new ATOM 0 HB2 PRO A 92 14.514 -13.105 26.658 1.00 74.43 H new ATOM 0 HB3 PRO A 92 16.015 -13.499 25.845 1.00 74.43 H new ATOM 0 HG2 PRO A 92 15.007 -14.444 28.520 1.00 34.52 H new ATOM 0 HG3 PRO A 92 15.796 -15.364 27.255 1.00 34.52 H new ATOM 0 HD2 PRO A 92 17.157 -14.495 29.448 1.00 52.32 H new ATOM 0 HD3 PRO A 92 17.940 -14.653 27.888 1.00 52.32 H new ATOM 1409 N TYR A 93 14.675 -10.238 27.630 1.00 1.55 N ATOM 1410 CA TYR A 93 13.688 -9.381 28.276 1.00 34.15 C ATOM 1411 C TYR A 93 12.379 -9.371 27.492 1.00 0.12 C ATOM 1412 O TYR A 93 12.330 -9.791 26.336 1.00 24.41 O ATOM 1413 CB TYR A 93 14.227 -7.956 28.409 1.00 13.23 C ATOM 1414 CG TYR A 93 15.460 -7.694 27.574 1.00 73.50 C ATOM 1415 CD1 TYR A 93 16.720 -8.068 28.025 1.00 51.41 C ATOM 1416 CD2 TYR A 93 15.365 -7.074 26.335 1.00 53.24 C ATOM 1417 CE1 TYR A 93 17.849 -7.830 27.266 1.00 64.34 C ATOM 1418 CE2 TYR A 93 16.489 -6.834 25.568 1.00 55.10 C ATOM 1419 CZ TYR A 93 17.728 -7.214 26.038 1.00 45.32 C ATOM 1420 OH TYR A 93 18.851 -6.975 25.278 1.00 75.23 O ATOM 0 H TYR A 93 14.892 -9.980 26.667 1.00 1.55 H new ATOM 0 HA TYR A 93 13.492 -9.782 29.271 1.00 34.15 H new ATOM 0 HB2 TYR A 93 13.446 -7.253 28.119 1.00 13.23 H new ATOM 0 HB3 TYR A 93 14.459 -7.761 29.456 1.00 13.23 H new ATOM 0 HD1 TYR A 93 16.818 -8.553 28.985 1.00 51.41 H new ATOM 0 HD2 TYR A 93 14.396 -6.774 25.965 1.00 53.24 H new ATOM 0 HE1 TYR A 93 18.821 -8.125 27.632 1.00 64.34 H new ATOM 0 HE2 TYR A 93 16.397 -6.352 24.606 1.00 55.10 H new ATOM 0 HH TYR A 93 18.939 -6.012 25.118 1.00 75.23 H new ATOM 1430 N LYS A 94 11.319 -8.886 28.130 1.00 73.52 N ATOM 1431 CA LYS A 94 10.008 -8.818 27.494 1.00 63.00 C ATOM 1432 C LYS A 94 9.642 -7.376 27.156 1.00 20.34 C ATOM 1433 O LYS A 94 9.959 -6.452 27.907 1.00 34.52 O ATOM 1434 CB LYS A 94 8.942 -9.425 28.409 1.00 64.42 C ATOM 1435 CG LYS A 94 7.753 -10.000 27.659 1.00 21.00 C ATOM 1436 CD LYS A 94 6.493 -9.188 27.906 1.00 51.43 C ATOM 1437 CE LYS A 94 5.571 -9.877 28.900 1.00 41.20 C ATOM 1438 NZ LYS A 94 4.894 -11.060 28.301 1.00 64.23 N ATOM 0 H LYS A 94 11.342 -8.534 29.087 1.00 73.52 H new ATOM 0 HA LYS A 94 10.051 -9.390 26.567 1.00 63.00 H new ATOM 0 HB2 LYS A 94 9.397 -10.212 29.010 1.00 64.42 H new ATOM 0 HB3 LYS A 94 8.589 -8.659 29.100 1.00 64.42 H new ATOM 0 HG2 LYS A 94 7.970 -10.020 26.591 1.00 21.00 H new ATOM 0 HG3 LYS A 94 7.589 -11.032 27.971 1.00 21.00 H new ATOM 0 HD2 LYS A 94 6.763 -8.201 28.282 1.00 51.43 H new ATOM 0 HD3 LYS A 94 5.966 -9.037 26.964 1.00 51.43 H new ATOM 0 HE2 LYS A 94 6.146 -10.190 29.772 1.00 41.20 H new ATOM 0 HE3 LYS A 94 4.821 -9.168 29.251 1.00 41.20 H new ATOM 0 HZ1 LYS A 94 4.153 -11.400 28.947 1.00 64.23 H new ATOM 0 HZ2 LYS A 94 4.465 -10.791 27.392 1.00 64.23 H new ATOM 0 HZ3 LYS A 94 5.590 -11.816 28.145 1.00 64.23 H new ATOM 1452 N LEU A 95 8.972 -7.191 26.024 1.00 5.53 N ATOM 1453 CA LEU A 95 8.561 -5.861 25.588 1.00 2.40 C ATOM 1454 C LEU A 95 7.062 -5.818 25.309 1.00 62.42 C ATOM 1455 O LEU A 95 6.484 -6.787 24.816 1.00 63.23 O ATOM 1456 CB LEU A 95 9.337 -5.451 24.335 1.00 53.12 C ATOM 1457 CG LEU A 95 8.667 -4.405 23.443 1.00 11.21 C ATOM 1458 CD1 LEU A 95 8.529 -3.083 24.182 1.00 11.22 C ATOM 1459 CD2 LEU A 95 9.456 -4.218 22.155 1.00 34.01 C ATOM 0 H LEU A 95 8.702 -7.945 25.392 1.00 5.53 H new ATOM 0 HA LEU A 95 8.782 -5.158 26.391 1.00 2.40 H new ATOM 0 HB2 LEU A 95 10.309 -5.067 24.644 1.00 53.12 H new ATOM 0 HB3 LEU A 95 9.522 -6.344 23.738 1.00 53.12 H new ATOM 0 HG LEU A 95 7.669 -4.760 23.186 1.00 11.21 H new ATOM 0 HD11 LEU A 95 8.050 -2.351 23.532 1.00 11.22 H new ATOM 0 HD12 LEU A 95 7.921 -3.227 25.075 1.00 11.22 H new ATOM 0 HD13 LEU A 95 9.517 -2.722 24.469 1.00 11.22 H new ATOM 0 HD21 LEU A 95 8.965 -3.470 21.533 1.00 34.01 H new ATOM 0 HD22 LEU A 95 10.466 -3.885 22.392 1.00 34.01 H new ATOM 0 HD23 LEU A 95 9.503 -5.164 21.616 1.00 34.01 H new ATOM 1471 N VAL A 96 6.438 -4.688 25.626 1.00 70.44 N ATOM 1472 CA VAL A 96 5.007 -4.518 25.406 1.00 73.12 C ATOM 1473 C VAL A 96 4.695 -3.125 24.872 1.00 14.52 C ATOM 1474 O VAL A 96 4.976 -2.120 25.527 1.00 42.45 O ATOM 1475 CB VAL A 96 4.208 -4.750 26.702 1.00 23.14 C ATOM 1476 CG1 VAL A 96 4.899 -4.083 27.882 1.00 43.02 C ATOM 1477 CG2 VAL A 96 2.784 -4.238 26.549 1.00 31.32 C ATOM 0 H VAL A 96 6.901 -3.877 26.036 1.00 70.44 H new ATOM 0 HA VAL A 96 4.710 -5.262 24.667 1.00 73.12 H new ATOM 0 HB VAL A 96 4.165 -5.822 26.895 1.00 23.14 H new ATOM 0 HG11 VAL A 96 4.320 -4.258 28.789 1.00 43.02 H new ATOM 0 HG12 VAL A 96 5.898 -4.502 28.003 1.00 43.02 H new ATOM 0 HG13 VAL A 96 4.975 -3.011 27.701 1.00 43.02 H new ATOM 0 HG21 VAL A 96 2.234 -4.410 27.474 1.00 31.32 H new ATOM 0 HG22 VAL A 96 2.803 -3.170 26.331 1.00 31.32 H new ATOM 0 HG23 VAL A 96 2.293 -4.766 25.732 1.00 31.32 H new ATOM 1487 N LEU A 97 4.111 -3.071 23.680 1.00 11.31 N ATOM 1488 CA LEU A 97 3.759 -1.799 23.057 1.00 20.32 C ATOM 1489 C LEU A 97 2.255 -1.706 22.822 1.00 71.12 C ATOM 1490 O LEU A 97 1.622 -2.669 22.386 1.00 2.14 O ATOM 1491 CB LEU A 97 4.505 -1.634 21.732 1.00 23.32 C ATOM 1492 CG LEU A 97 5.526 -0.497 21.674 1.00 55.24 C ATOM 1493 CD1 LEU A 97 6.741 -0.911 20.859 1.00 71.21 C ATOM 1494 CD2 LEU A 97 4.892 0.758 21.090 1.00 64.11 C ATOM 0 H LEU A 97 3.871 -3.893 23.125 1.00 11.31 H new ATOM 0 HA LEU A 97 4.053 -0.997 23.734 1.00 20.32 H new ATOM 0 HB2 LEU A 97 5.019 -2.569 21.509 1.00 23.32 H new ATOM 0 HB3 LEU A 97 3.771 -1.477 20.942 1.00 23.32 H new ATOM 0 HG LEU A 97 5.854 -0.276 22.690 1.00 55.24 H new ATOM 0 HD11 LEU A 97 7.456 -0.089 20.829 1.00 71.21 H new ATOM 0 HD12 LEU A 97 7.208 -1.782 21.319 1.00 71.21 H new ATOM 0 HD13 LEU A 97 6.431 -1.159 19.844 1.00 71.21 H new ATOM 0 HD21 LEU A 97 5.632 1.557 21.056 1.00 64.11 H new ATOM 0 HD22 LEU A 97 4.536 0.550 20.081 1.00 64.11 H new ATOM 0 HD23 LEU A 97 4.053 1.066 21.714 1.00 64.11 H new ATOM 1506 N THR A 98 1.687 -0.539 23.110 1.00 31.25 N ATOM 1507 CA THR A 98 0.258 -0.319 22.930 1.00 74.35 C ATOM 1508 C THR A 98 -0.006 0.944 22.118 1.00 62.35 C ATOM 1509 O THR A 98 0.441 2.032 22.481 1.00 23.31 O ATOM 1510 CB THR A 98 -0.469 -0.207 24.283 1.00 52.31 C ATOM 1511 OG1 THR A 98 -0.145 -1.331 25.108 1.00 31.21 O ATOM 1512 CG2 THR A 98 -1.976 -0.135 24.084 1.00 43.22 C ATOM 0 H THR A 98 2.196 0.269 23.469 1.00 31.25 H new ATOM 0 HA THR A 98 -0.128 -1.183 22.389 1.00 74.35 H new ATOM 0 HB THR A 98 -0.139 0.709 24.772 1.00 52.31 H new ATOM 0 HG1 THR A 98 -0.610 -1.251 25.967 1.00 31.21 H new ATOM 0 HG21 THR A 98 -2.468 -0.056 25.054 1.00 43.22 H new ATOM 0 HG22 THR A 98 -2.222 0.739 23.480 1.00 43.22 H new ATOM 0 HG23 THR A 98 -2.319 -1.036 23.575 1.00 43.22 H new ATOM 1520 N TYR A 99 -0.734 0.792 21.017 1.00 15.52 N ATOM 1521 CA TYR A 99 -1.056 1.921 20.152 1.00 11.54 C ATOM 1522 C TYR A 99 -2.548 2.237 20.201 1.00 1.53 C ATOM 1523 O TYR A 99 -3.386 1.342 20.104 1.00 20.44 O ATOM 1524 CB TYR A 99 -0.633 1.625 18.713 1.00 72.23 C ATOM 1525 CG TYR A 99 0.311 0.451 18.589 1.00 62.42 C ATOM 1526 CD1 TYR A 99 1.627 0.543 19.027 1.00 34.10 C ATOM 1527 CD2 TYR A 99 -0.111 -0.750 18.033 1.00 71.53 C ATOM 1528 CE1 TYR A 99 2.493 -0.527 18.915 1.00 25.03 C ATOM 1529 CE2 TYR A 99 0.748 -1.826 17.918 1.00 3.04 C ATOM 1530 CZ TYR A 99 2.049 -1.709 18.361 1.00 65.32 C ATOM 1531 OH TYR A 99 2.909 -2.778 18.247 1.00 0.13 O ATOM 0 H TYR A 99 -1.112 -0.102 20.703 1.00 15.52 H new ATOM 0 HA TYR A 99 -0.507 2.791 20.513 1.00 11.54 H new ATOM 0 HB2 TYR A 99 -1.523 1.430 18.114 1.00 72.23 H new ATOM 0 HB3 TYR A 99 -0.155 2.511 18.294 1.00 72.23 H new ATOM 0 HD1 TYR A 99 1.978 1.467 19.462 1.00 34.10 H new ATOM 0 HD2 TYR A 99 -1.129 -0.844 17.684 1.00 71.53 H new ATOM 0 HE1 TYR A 99 3.513 -0.438 19.260 1.00 25.03 H new ATOM 0 HE2 TYR A 99 0.403 -2.753 17.484 1.00 3.04 H new ATOM 0 HH TYR A 99 3.569 -2.745 18.970 1.00 0.13 H new ATOM 1541 N GLN A 100 -2.870 3.518 20.352 1.00 52.13 N ATOM 1542 CA GLN A 100 -4.260 3.953 20.414 1.00 54.33 C ATOM 1543 C GLN A 100 -4.396 5.407 19.974 1.00 2.40 C ATOM 1544 O GLN A 100 -3.747 6.296 20.525 1.00 72.22 O ATOM 1545 CB GLN A 100 -4.807 3.784 21.832 1.00 31.03 C ATOM 1546 CG GLN A 100 -6.150 4.462 22.052 1.00 44.51 C ATOM 1547 CD GLN A 100 -6.707 4.218 23.440 1.00 21.13 C ATOM 1548 OE1 GLN A 100 -5.974 3.857 24.361 1.00 3.35 O ATOM 1549 NE2 GLN A 100 -8.011 4.413 23.598 1.00 1.41 N ATOM 0 H GLN A 100 -2.188 4.272 20.434 1.00 52.13 H new ATOM 0 HA GLN A 100 -4.839 3.330 19.732 1.00 54.33 H new ATOM 0 HB2 GLN A 100 -4.907 2.721 22.050 1.00 31.03 H new ATOM 0 HB3 GLN A 100 -4.085 4.188 22.541 1.00 31.03 H new ATOM 0 HG2 GLN A 100 -6.042 5.535 21.892 1.00 44.51 H new ATOM 0 HG3 GLN A 100 -6.862 4.099 21.310 1.00 44.51 H new ATOM 0 HE21 GLN A 100 -8.581 4.712 22.807 1.00 1.41 H new ATOM 0 HE22 GLN A 100 -8.442 4.263 24.510 1.00 1.41 H new ATOM 1558 N GLY A 101 -5.244 5.643 18.977 1.00 65.30 N ATOM 1559 CA GLY A 101 -5.448 6.991 18.480 1.00 70.32 C ATOM 1560 C GLY A 101 -6.717 7.120 17.660 1.00 3.24 C ATOM 1561 O GLY A 101 -7.678 6.381 17.871 1.00 20.31 O ATOM 0 H GLY A 101 -5.793 4.925 18.505 1.00 65.30 H new ATOM 0 HA2 GLY A 101 -5.491 7.683 19.321 1.00 70.32 H new ATOM 0 HA3 GLY A 101 -4.593 7.283 17.870 1.00 70.32 H new ATOM 1565 N SER A 102 -6.721 8.064 16.724 1.00 20.41 N ATOM 1566 CA SER A 102 -7.884 8.291 15.874 1.00 45.52 C ATOM 1567 C SER A 102 -7.456 8.682 14.462 1.00 0.03 C ATOM 1568 O SER A 102 -6.288 8.982 14.216 1.00 12.25 O ATOM 1569 CB SER A 102 -8.772 9.385 16.471 1.00 61.43 C ATOM 1570 OG SER A 102 -9.863 8.824 17.180 1.00 53.22 O ATOM 0 H SER A 102 -5.933 8.683 16.535 1.00 20.41 H new ATOM 0 HA SER A 102 -8.451 7.362 15.819 1.00 45.52 H new ATOM 0 HB2 SER A 102 -8.183 10.012 17.140 1.00 61.43 H new ATOM 0 HB3 SER A 102 -9.144 10.030 15.675 1.00 61.43 H new ATOM 0 HG SER A 102 -10.638 8.753 16.585 1.00 53.22 H new ATOM 1576 N ALA A 103 -8.411 8.675 13.538 1.00 12.34 N ATOM 1577 CA ALA A 103 -8.135 9.030 12.152 1.00 54.42 C ATOM 1578 C ALA A 103 -8.289 10.531 11.929 1.00 43.05 C ATOM 1579 O ALA A 103 -9.180 11.164 12.494 1.00 24.44 O ATOM 1580 CB ALA A 103 -9.055 8.259 11.217 1.00 62.04 C ATOM 0 H ALA A 103 -9.383 8.427 13.725 1.00 12.34 H new ATOM 0 HA ALA A 103 -7.102 8.760 11.932 1.00 54.42 H new ATOM 0 HB1 ALA A 103 -8.838 8.534 10.185 1.00 62.04 H new ATOM 0 HB2 ALA A 103 -8.894 7.189 11.349 1.00 62.04 H new ATOM 0 HB3 ALA A 103 -10.093 8.501 11.446 1.00 62.04 H new ATOM 1586 N GLU A 104 -7.414 11.094 11.101 1.00 62.01 N ATOM 1587 CA GLU A 104 -7.452 12.521 10.805 1.00 13.42 C ATOM 1588 C GLU A 104 -8.804 12.919 10.220 1.00 52.41 C ATOM 1589 O GLU A 104 -9.191 14.087 10.262 1.00 61.14 O ATOM 1590 CB GLU A 104 -6.333 12.893 9.831 1.00 42.33 C ATOM 1591 CG GLU A 104 -5.178 13.633 10.484 1.00 25.34 C ATOM 1592 CD GLU A 104 -4.887 14.965 9.820 1.00 20.43 C ATOM 1593 OE1 GLU A 104 -5.802 15.813 9.769 1.00 2.42 O ATOM 1594 OE2 GLU A 104 -3.746 15.158 9.352 1.00 41.22 O ATOM 0 H GLU A 104 -6.671 10.584 10.624 1.00 62.01 H new ATOM 0 HA GLU A 104 -7.305 13.064 11.739 1.00 13.42 H new ATOM 0 HB2 GLU A 104 -5.953 11.985 9.363 1.00 42.33 H new ATOM 0 HB3 GLU A 104 -6.747 13.512 9.035 1.00 42.33 H new ATOM 0 HG2 GLU A 104 -5.407 13.799 11.537 1.00 25.34 H new ATOM 0 HG3 GLU A 104 -4.285 13.010 10.446 1.00 25.34 H new ATOM 1601 N ALA A 105 -9.518 11.940 9.674 1.00 25.11 N ATOM 1602 CA ALA A 105 -10.826 12.187 9.081 1.00 32.35 C ATOM 1603 C ALA A 105 -11.891 12.366 10.158 1.00 73.11 C ATOM 1604 O ALA A 105 -12.880 13.069 9.955 1.00 12.15 O ATOM 1605 CB ALA A 105 -11.205 11.048 8.146 1.00 40.22 C ATOM 0 H ALA A 105 -9.212 10.968 9.630 1.00 25.11 H new ATOM 0 HA ALA A 105 -10.769 13.111 8.506 1.00 32.35 H new ATOM 0 HB1 ALA A 105 -12.184 11.246 7.710 1.00 40.22 H new ATOM 0 HB2 ALA A 105 -10.463 10.968 7.351 1.00 40.22 H new ATOM 0 HB3 ALA A 105 -11.239 10.114 8.706 1.00 40.22 H new ATOM 1611 N GLY A 106 -11.683 11.724 11.304 1.00 65.04 N ATOM 1612 CA GLY A 106 -12.634 11.825 12.395 1.00 51.04 C ATOM 1613 C GLY A 106 -13.162 10.473 12.830 1.00 34.32 C ATOM 1614 O GLY A 106 -14.359 10.314 13.072 1.00 71.13 O ATOM 0 H GLY A 106 -10.872 11.136 11.496 1.00 65.04 H new ATOM 0 HA2 GLY A 106 -12.158 12.316 13.244 1.00 51.04 H new ATOM 0 HA3 GLY A 106 -13.468 12.456 12.089 1.00 51.04 H new ATOM 1618 N VAL A 107 -12.269 9.494 12.930 1.00 65.24 N ATOM 1619 CA VAL A 107 -12.651 8.148 13.338 1.00 32.35 C ATOM 1620 C VAL A 107 -11.925 7.733 14.613 1.00 2.11 C ATOM 1621 O VAL A 107 -10.757 8.071 14.812 1.00 33.22 O ATOM 1622 CB VAL A 107 -12.352 7.119 12.232 1.00 21.32 C ATOM 1623 CG1 VAL A 107 -12.599 5.705 12.737 1.00 41.14 C ATOM 1624 CG2 VAL A 107 -13.190 7.407 10.996 1.00 35.31 C ATOM 0 H VAL A 107 -11.275 9.608 12.734 1.00 65.24 H new ATOM 0 HA VAL A 107 -13.725 8.167 13.525 1.00 32.35 H new ATOM 0 HB VAL A 107 -11.301 7.202 11.957 1.00 21.32 H new ATOM 0 HG11 VAL A 107 -12.382 4.992 11.942 1.00 41.14 H new ATOM 0 HG12 VAL A 107 -11.951 5.505 13.590 1.00 41.14 H new ATOM 0 HG13 VAL A 107 -13.641 5.604 13.041 1.00 41.14 H new ATOM 0 HG21 VAL A 107 -12.966 6.670 10.225 1.00 35.31 H new ATOM 0 HG22 VAL A 107 -14.248 7.353 11.253 1.00 35.31 H new ATOM 0 HG23 VAL A 107 -12.958 8.405 10.623 1.00 35.31 H new ATOM 1634 N CYS A 108 -12.623 6.999 15.473 1.00 44.41 N ATOM 1635 CA CYS A 108 -12.044 6.538 16.730 1.00 50.11 C ATOM 1636 C CYS A 108 -12.042 5.015 16.801 1.00 61.53 C ATOM 1637 O CYS A 108 -13.098 4.383 16.830 1.00 33.34 O ATOM 1638 CB CYS A 108 -12.820 7.115 17.915 1.00 75.43 C ATOM 1639 SG CYS A 108 -14.613 6.916 17.789 1.00 33.24 S ATOM 0 H CYS A 108 -13.590 6.711 15.323 1.00 44.41 H new ATOM 0 HA CYS A 108 -11.012 6.887 16.776 1.00 50.11 H new ATOM 0 HB2 CYS A 108 -12.475 6.634 18.830 1.00 75.43 H new ATOM 0 HB3 CYS A 108 -12.588 8.176 18.005 1.00 75.43 H new ATOM 0 HG CYS A 108 -14.887 5.729 17.334 1.00 33.24 H new ATOM 1645 N TYR A 109 -10.849 4.431 16.826 1.00 71.53 N ATOM 1646 CA TYR A 109 -10.709 2.981 16.889 1.00 72.55 C ATOM 1647 C TYR A 109 -10.168 2.544 18.247 1.00 73.24 C ATOM 1648 O TYR A 109 -9.571 3.326 18.986 1.00 23.34 O ATOM 1649 CB TYR A 109 -9.783 2.488 15.776 1.00 63.24 C ATOM 1650 CG TYR A 109 -8.610 3.405 15.514 1.00 43.33 C ATOM 1651 CD1 TYR A 109 -8.735 4.501 14.668 1.00 30.13 C ATOM 1652 CD2 TYR A 109 -7.376 3.176 16.111 1.00 52.34 C ATOM 1653 CE1 TYR A 109 -7.666 5.342 14.425 1.00 20.43 C ATOM 1654 CE2 TYR A 109 -6.302 4.012 15.875 1.00 53.54 C ATOM 1655 CZ TYR A 109 -6.452 5.094 15.031 1.00 20.52 C ATOM 1656 OH TYR A 109 -5.384 5.928 14.792 1.00 12.04 O ATOM 0 H TYR A 109 -9.965 4.939 16.804 1.00 71.53 H new ATOM 0 HA TYR A 109 -11.697 2.540 16.753 1.00 72.55 H new ATOM 0 HB2 TYR A 109 -9.408 1.499 16.038 1.00 63.24 H new ATOM 0 HB3 TYR A 109 -10.359 2.378 14.857 1.00 63.24 H new ATOM 0 HD1 TYR A 109 -9.684 4.699 14.192 1.00 30.13 H new ATOM 0 HD2 TYR A 109 -7.255 2.330 16.771 1.00 52.34 H new ATOM 0 HE1 TYR A 109 -7.780 6.189 13.764 1.00 20.43 H new ATOM 0 HE2 TYR A 109 -5.350 3.820 16.348 1.00 53.54 H new ATOM 0 HH TYR A 109 -5.452 6.295 13.886 1.00 12.04 H new ATOM 1666 N PRO A 110 -10.382 1.263 18.583 1.00 3.01 N ATOM 1667 CA PRO A 110 -9.923 0.691 19.852 1.00 0.15 C ATOM 1668 C PRO A 110 -8.405 0.556 19.913 1.00 53.32 C ATOM 1669 O PRO A 110 -7.718 0.541 18.891 1.00 33.32 O ATOM 1670 CB PRO A 110 -10.584 -0.689 19.879 1.00 61.30 C ATOM 1671 CG PRO A 110 -10.809 -1.029 18.446 1.00 21.20 C ATOM 1672 CD PRO A 110 -11.087 0.274 17.750 1.00 43.50 C ATOM 0 HA PRO A 110 -10.186 1.322 20.701 1.00 0.15 H new ATOM 0 HB2 PRO A 110 -9.944 -1.425 20.365 1.00 61.30 H new ATOM 0 HB3 PRO A 110 -11.522 -0.668 20.433 1.00 61.30 H new ATOM 0 HG2 PRO A 110 -9.934 -1.520 18.020 1.00 21.20 H new ATOM 0 HG3 PRO A 110 -11.647 -1.717 18.335 1.00 21.20 H new ATOM 0 HD2 PRO A 110 -10.712 0.271 16.726 1.00 43.50 H new ATOM 0 HD3 PRO A 110 -12.156 0.482 17.698 1.00 43.50 H new ATOM 1680 N PRO A 111 -7.867 0.456 21.137 1.00 35.14 N ATOM 1681 CA PRO A 111 -6.425 0.320 21.360 1.00 60.52 C ATOM 1682 C PRO A 111 -5.895 -1.037 20.909 1.00 64.12 C ATOM 1683 O PRO A 111 -6.622 -2.030 20.908 1.00 72.23 O ATOM 1684 CB PRO A 111 -6.284 0.472 22.876 1.00 21.44 C ATOM 1685 CG PRO A 111 -7.605 0.055 23.423 1.00 34.34 C ATOM 1686 CD PRO A 111 -8.626 0.467 22.399 1.00 13.34 C ATOM 0 HA PRO A 111 -5.854 1.053 20.790 1.00 60.52 H new ATOM 0 HB2 PRO A 111 -5.480 -0.154 23.263 1.00 21.44 H new ATOM 0 HB3 PRO A 111 -6.049 1.500 23.151 1.00 21.44 H new ATOM 0 HG2 PRO A 111 -7.635 -1.021 23.593 1.00 34.34 H new ATOM 0 HG3 PRO A 111 -7.799 0.535 24.382 1.00 34.34 H new ATOM 0 HD2 PRO A 111 -9.467 -0.226 22.368 1.00 13.34 H new ATOM 0 HD3 PRO A 111 -9.035 1.454 22.614 1.00 13.34 H new ATOM 1694 N VAL A 112 -4.622 -1.073 20.526 1.00 10.43 N ATOM 1695 CA VAL A 112 -3.994 -2.308 20.074 1.00 23.25 C ATOM 1696 C VAL A 112 -2.726 -2.602 20.868 1.00 5.01 C ATOM 1697 O VAL A 112 -1.742 -1.867 20.781 1.00 41.34 O ATOM 1698 CB VAL A 112 -3.645 -2.245 18.576 1.00 71.15 C ATOM 1699 CG1 VAL A 112 -3.190 -3.608 18.075 1.00 2.52 C ATOM 1700 CG2 VAL A 112 -4.836 -1.744 17.773 1.00 40.23 C ATOM 0 H VAL A 112 -4.006 -0.260 20.520 1.00 10.43 H new ATOM 0 HA VAL A 112 -4.716 -3.108 20.238 1.00 23.25 H new ATOM 0 HB VAL A 112 -2.823 -1.542 18.442 1.00 71.15 H new ATOM 0 HG11 VAL A 112 -2.948 -3.543 17.014 1.00 2.52 H new ATOM 0 HG12 VAL A 112 -2.307 -3.924 18.630 1.00 2.52 H new ATOM 0 HG13 VAL A 112 -3.989 -4.335 18.221 1.00 2.52 H new ATOM 0 HG21 VAL A 112 -4.572 -1.706 16.716 1.00 40.23 H new ATOM 0 HG22 VAL A 112 -5.679 -2.421 17.912 1.00 40.23 H new ATOM 0 HG23 VAL A 112 -5.111 -0.746 18.115 1.00 40.23 H new ATOM 1710 N ASP A 113 -2.755 -3.681 21.642 1.00 73.43 N ATOM 1711 CA ASP A 113 -1.607 -4.074 22.450 1.00 31.35 C ATOM 1712 C ASP A 113 -0.828 -5.200 21.778 1.00 73.33 C ATOM 1713 O ASP A 113 -1.413 -6.157 21.269 1.00 72.14 O ATOM 1714 CB ASP A 113 -2.063 -4.514 23.843 1.00 54.04 C ATOM 1715 CG ASP A 113 -2.750 -5.866 23.827 1.00 43.32 C ATOM 1716 OD1 ASP A 113 -3.762 -6.009 23.109 1.00 20.22 O ATOM 1717 OD2 ASP A 113 -2.274 -6.780 24.531 1.00 32.23 O ATOM 0 H ASP A 113 -3.562 -4.299 21.727 1.00 73.43 H new ATOM 0 HA ASP A 113 -0.950 -3.210 22.547 1.00 31.35 H new ATOM 0 HB2 ASP A 113 -1.200 -4.556 24.508 1.00 54.04 H new ATOM 0 HB3 ASP A 113 -2.745 -3.768 24.252 1.00 54.04 H new ATOM 1722 N THR A 114 0.496 -5.080 21.778 1.00 53.32 N ATOM 1723 CA THR A 114 1.355 -6.085 21.166 1.00 72.33 C ATOM 1724 C THR A 114 2.645 -6.262 21.958 1.00 43.23 C ATOM 1725 O THR A 114 3.340 -5.290 22.254 1.00 73.13 O ATOM 1726 CB THR A 114 1.705 -5.716 19.712 1.00 54.32 C ATOM 1727 OG1 THR A 114 1.090 -4.471 19.361 1.00 1.34 O ATOM 1728 CG2 THR A 114 1.245 -6.802 18.752 1.00 75.14 C ATOM 0 H THR A 114 0.997 -4.296 22.196 1.00 53.32 H new ATOM 0 HA THR A 114 0.798 -7.022 21.171 1.00 72.33 H new ATOM 0 HB THR A 114 2.788 -5.621 19.636 1.00 54.32 H new ATOM 0 HG1 THR A 114 1.713 -3.939 18.823 1.00 1.34 H new ATOM 0 HG21 THR A 114 1.503 -6.519 17.732 1.00 75.14 H new ATOM 0 HG22 THR A 114 1.737 -7.742 19.003 1.00 75.14 H new ATOM 0 HG23 THR A 114 0.165 -6.925 18.832 1.00 75.14 H new ATOM 1736 N GLU A 115 2.960 -7.508 22.297 1.00 3.12 N ATOM 1737 CA GLU A 115 4.169 -7.810 23.056 1.00 75.14 C ATOM 1738 C GLU A 115 5.239 -8.417 22.154 1.00 63.33 C ATOM 1739 O GLU A 115 4.932 -9.151 21.214 1.00 43.12 O ATOM 1740 CB GLU A 115 3.850 -8.769 24.204 1.00 32.24 C ATOM 1741 CG GLU A 115 3.092 -8.118 25.349 1.00 53.43 C ATOM 1742 CD GLU A 115 1.608 -7.987 25.066 1.00 74.40 C ATOM 1743 OE1 GLU A 115 1.048 -8.887 24.405 1.00 34.05 O ATOM 1744 OE2 GLU A 115 1.006 -6.985 25.506 1.00 22.10 O ATOM 0 H GLU A 115 2.396 -8.324 22.059 1.00 3.12 H new ATOM 0 HA GLU A 115 4.552 -6.876 23.468 1.00 75.14 H new ATOM 0 HB2 GLU A 115 3.262 -9.602 23.818 1.00 32.24 H new ATOM 0 HB3 GLU A 115 4.781 -9.186 24.587 1.00 32.24 H new ATOM 0 HG2 GLU A 115 3.235 -8.706 26.255 1.00 53.43 H new ATOM 0 HG3 GLU A 115 3.510 -7.130 25.541 1.00 53.43 H new ATOM 1751 N PHE A 116 6.498 -8.106 22.447 1.00 55.33 N ATOM 1752 CA PHE A 116 7.615 -8.619 21.662 1.00 14.41 C ATOM 1753 C PHE A 116 8.678 -9.233 22.567 1.00 22.24 C ATOM 1754 O PHE A 116 9.154 -8.594 23.506 1.00 64.40 O ATOM 1755 CB PHE A 116 8.230 -7.499 20.820 1.00 24.30 C ATOM 1756 CG PHE A 116 7.246 -6.824 19.908 1.00 21.41 C ATOM 1757 CD1 PHE A 116 6.692 -7.508 18.837 1.00 4.44 C ATOM 1758 CD2 PHE A 116 6.874 -5.507 20.122 1.00 41.00 C ATOM 1759 CE1 PHE A 116 5.787 -6.889 17.996 1.00 0.44 C ATOM 1760 CE2 PHE A 116 5.969 -4.883 19.285 1.00 52.35 C ATOM 1761 CZ PHE A 116 5.424 -5.575 18.221 1.00 52.00 C ATOM 0 H PHE A 116 6.770 -7.501 23.222 1.00 55.33 H new ATOM 0 HA PHE A 116 7.235 -9.396 20.999 1.00 14.41 H new ATOM 0 HB2 PHE A 116 8.667 -6.754 21.485 1.00 24.30 H new ATOM 0 HB3 PHE A 116 9.044 -7.910 20.223 1.00 24.30 H new ATOM 0 HD1 PHE A 116 6.971 -8.536 18.658 1.00 4.44 H new ATOM 0 HD2 PHE A 116 7.296 -4.961 20.953 1.00 41.00 H new ATOM 0 HE1 PHE A 116 5.364 -7.432 17.164 1.00 0.44 H new ATOM 0 HE2 PHE A 116 5.688 -3.855 19.462 1.00 52.35 H new ATOM 0 HZ PHE A 116 4.715 -5.090 17.566 1.00 52.00 H new ATOM 1771 N ASP A 117 9.045 -10.477 22.279 1.00 40.11 N ATOM 1772 CA ASP A 117 10.052 -11.179 23.066 1.00 44.03 C ATOM 1773 C ASP A 117 11.454 -10.885 22.540 1.00 1.15 C ATOM 1774 O ASP A 117 11.786 -11.224 21.404 1.00 34.52 O ATOM 1775 CB ASP A 117 9.791 -12.686 23.041 1.00 53.30 C ATOM 1776 CG ASP A 117 9.084 -13.171 24.291 1.00 31.12 C ATOM 1777 OD1 ASP A 117 7.865 -12.928 24.415 1.00 24.55 O ATOM 1778 OD2 ASP A 117 9.749 -13.793 25.146 1.00 44.10 O ATOM 0 H ASP A 117 8.660 -11.020 21.506 1.00 40.11 H new ATOM 0 HA ASP A 117 9.986 -10.824 24.094 1.00 44.03 H new ATOM 0 HB2 ASP A 117 9.188 -12.933 22.167 1.00 53.30 H new ATOM 0 HB3 ASP A 117 10.738 -13.214 22.935 1.00 53.30 H new ATOM 1783 N ILE A 118 12.272 -10.251 23.374 1.00 31.33 N ATOM 1784 CA ILE A 118 13.637 -9.912 22.994 1.00 43.24 C ATOM 1785 C ILE A 118 14.629 -10.937 23.532 1.00 63.20 C ATOM 1786 O ILE A 118 14.674 -11.202 24.733 1.00 22.15 O ATOM 1787 CB ILE A 118 14.033 -8.514 23.505 1.00 42.14 C ATOM 1788 CG1 ILE A 118 12.885 -7.525 23.291 1.00 22.04 C ATOM 1789 CG2 ILE A 118 15.293 -8.030 22.802 1.00 22.43 C ATOM 1790 CD1 ILE A 118 12.479 -7.374 21.842 1.00 5.41 C ATOM 0 H ILE A 118 12.013 -9.962 24.317 1.00 31.33 H new ATOM 0 HA ILE A 118 13.671 -9.915 21.905 1.00 43.24 H new ATOM 0 HB ILE A 118 14.238 -8.579 24.574 1.00 42.14 H new ATOM 0 HG12 ILE A 118 12.021 -7.853 23.869 1.00 22.04 H new ATOM 0 HG13 ILE A 118 13.179 -6.550 23.681 1.00 22.04 H new ATOM 0 HG21 ILE A 118 15.560 -7.041 23.174 1.00 22.43 H new ATOM 0 HG22 ILE A 118 16.110 -8.725 23.000 1.00 22.43 H new ATOM 0 HG23 ILE A 118 15.113 -7.978 21.728 1.00 22.43 H new ATOM 0 HD11 ILE A 118 11.661 -6.658 21.766 1.00 5.41 H new ATOM 0 HD12 ILE A 118 13.329 -7.016 21.261 1.00 5.41 H new ATOM 0 HD13 ILE A 118 12.154 -8.339 21.453 1.00 5.41 H new ATOM 1802 N PHE A 119 15.425 -11.510 22.635 1.00 73.51 N ATOM 1803 CA PHE A 119 16.418 -12.507 23.020 1.00 53.25 C ATOM 1804 C PHE A 119 17.571 -12.539 22.021 1.00 40.30 C ATOM 1805 O PHE A 119 18.216 -13.569 21.834 1.00 63.31 O ATOM 1806 CB PHE A 119 15.772 -13.891 23.115 1.00 42.22 C ATOM 1807 CG PHE A 119 14.723 -14.136 22.068 1.00 22.32 C ATOM 1808 CD1 PHE A 119 14.990 -13.893 20.731 1.00 41.35 C ATOM 1809 CD2 PHE A 119 13.471 -14.611 22.422 1.00 73.32 C ATOM 1810 CE1 PHE A 119 14.026 -14.117 19.766 1.00 63.03 C ATOM 1811 CE2 PHE A 119 12.503 -14.838 21.461 1.00 11.03 C ATOM 1812 CZ PHE A 119 12.782 -14.591 20.131 1.00 33.43 C ATOM 0 H PHE A 119 15.402 -11.301 21.637 1.00 73.51 H new ATOM 0 HA PHE A 119 16.814 -12.231 23.997 1.00 53.25 H new ATOM 0 HB2 PHE A 119 16.547 -14.652 23.026 1.00 42.22 H new ATOM 0 HB3 PHE A 119 15.323 -14.007 24.102 1.00 42.22 H new ATOM 0 HD1 PHE A 119 15.962 -13.524 20.439 1.00 41.35 H new ATOM 0 HD2 PHE A 119 13.248 -14.806 23.461 1.00 73.32 H new ATOM 0 HE1 PHE A 119 14.246 -13.921 18.727 1.00 63.03 H new ATOM 0 HE2 PHE A 119 11.530 -15.208 21.750 1.00 11.03 H new ATOM 0 HZ PHE A 119 12.028 -14.768 19.378 1.00 33.43 H new ATOM 1822 N GLY A 120 17.824 -11.401 21.381 1.00 11.21 N ATOM 1823 CA GLY A 120 18.898 -11.319 20.409 1.00 63.41 C ATOM 1824 C GLY A 120 18.434 -11.644 19.003 1.00 12.00 C ATOM 1825 O GLY A 120 18.070 -12.782 18.710 1.00 41.03 O ATOM 0 H GLY A 120 17.304 -10.534 21.519 1.00 11.21 H new ATOM 0 HA2 GLY A 120 19.323 -10.315 20.425 1.00 63.41 H new ATOM 0 HA3 GLY A 120 19.694 -12.007 20.693 1.00 63.41 H new ATOM 1829 N ASN A 121 18.444 -10.641 18.132 1.00 44.55 N ATOM 1830 CA ASN A 121 18.019 -10.825 16.749 1.00 53.42 C ATOM 1831 C ASN A 121 18.126 -9.518 15.968 1.00 34.13 C ATOM 1832 O ASN A 121 18.421 -9.519 14.774 1.00 51.40 O ATOM 1833 CB ASN A 121 16.580 -11.344 16.701 1.00 23.00 C ATOM 1834 CG ASN A 121 16.399 -12.452 15.681 1.00 2.32 C ATOM 1835 OD1 ASN A 121 17.120 -13.450 15.698 1.00 53.22 O ATOM 1836 ND2 ASN A 121 15.433 -12.280 14.786 1.00 1.34 N ATOM 0 H ASN A 121 18.742 -9.692 18.359 1.00 44.55 H new ATOM 0 HA ASN A 121 18.679 -11.559 16.287 1.00 53.42 H new ATOM 0 HB2 ASN A 121 16.296 -11.712 17.687 1.00 23.00 H new ATOM 0 HB3 ASN A 121 15.907 -10.520 16.462 1.00 23.00 H new ATOM 0 HD21 ASN A 121 15.264 -12.991 14.075 1.00 1.34 H new ATOM 0 HD22 ASN A 121 14.860 -11.437 14.810 1.00 1.34 H new ATOM 1843 N GLY A 122 17.883 -8.404 16.653 1.00 65.20 N ATOM 1844 CA GLY A 122 17.958 -7.106 16.008 1.00 31.23 C ATOM 1845 C GLY A 122 16.599 -6.597 15.571 1.00 72.31 C ATOM 1846 O GLY A 122 15.992 -5.765 16.246 1.00 74.03 O ATOM 0 H GLY A 122 17.636 -8.378 17.642 1.00 65.20 H new ATOM 0 HA2 GLY A 122 18.408 -6.388 16.694 1.00 31.23 H new ATOM 0 HA3 GLY A 122 18.614 -7.172 15.140 1.00 31.23 H new ATOM 1850 N THR A 123 16.119 -7.097 14.436 1.00 14.41 N ATOM 1851 CA THR A 123 14.824 -6.686 13.908 1.00 41.45 C ATOM 1852 C THR A 123 13.714 -7.614 14.388 1.00 43.41 C ATOM 1853 O THR A 123 13.856 -8.836 14.353 1.00 75.22 O ATOM 1854 CB THR A 123 14.828 -6.663 12.367 1.00 11.54 C ATOM 1855 OG1 THR A 123 16.146 -6.378 11.885 1.00 72.41 O ATOM 1856 CG2 THR A 123 13.853 -5.621 11.839 1.00 4.54 C ATOM 0 H THR A 123 16.608 -7.787 13.865 1.00 14.41 H new ATOM 0 HA THR A 123 14.637 -5.678 14.279 1.00 41.45 H new ATOM 0 HB THR A 123 14.515 -7.644 12.010 1.00 11.54 H new ATOM 0 HG1 THR A 123 16.141 -6.367 10.905 1.00 72.41 H new ATOM 0 HG21 THR A 123 13.873 -5.623 10.749 1.00 4.54 H new ATOM 0 HG22 THR A 123 12.846 -5.857 12.184 1.00 4.54 H new ATOM 0 HG23 THR A 123 14.140 -4.635 12.205 1.00 4.54 H new ATOM 1864 N TYR A 124 12.610 -7.026 14.835 1.00 5.35 N ATOM 1865 CA TYR A 124 11.476 -7.801 15.325 1.00 44.33 C ATOM 1866 C TYR A 124 10.165 -7.265 14.757 1.00 23.41 C ATOM 1867 O TYR A 124 10.002 -6.059 14.573 1.00 53.15 O ATOM 1868 CB TYR A 124 11.433 -7.771 16.853 1.00 21.14 C ATOM 1869 CG TYR A 124 12.652 -8.383 17.506 1.00 61.33 C ATOM 1870 CD1 TYR A 124 13.875 -7.723 17.497 1.00 75.21 C ATOM 1871 CD2 TYR A 124 12.581 -9.622 18.132 1.00 52.32 C ATOM 1872 CE1 TYR A 124 14.991 -8.279 18.091 1.00 71.31 C ATOM 1873 CE2 TYR A 124 13.692 -10.185 18.730 1.00 53.23 C ATOM 1874 CZ TYR A 124 14.894 -9.510 18.706 1.00 4.02 C ATOM 1875 OH TYR A 124 16.004 -10.067 19.300 1.00 12.43 O ATOM 0 H TYR A 124 12.476 -6.015 14.868 1.00 5.35 H new ATOM 0 HA TYR A 124 11.601 -8.831 14.992 1.00 44.33 H new ATOM 0 HB2 TYR A 124 11.334 -6.738 17.185 1.00 21.14 H new ATOM 0 HB3 TYR A 124 10.544 -8.302 17.193 1.00 21.14 H new ATOM 0 HD1 TYR A 124 13.954 -6.759 17.017 1.00 75.21 H new ATOM 0 HD2 TYR A 124 11.641 -10.154 18.151 1.00 52.32 H new ATOM 0 HE1 TYR A 124 15.934 -7.753 18.074 1.00 71.31 H new ATOM 0 HE2 TYR A 124 13.619 -11.148 19.213 1.00 53.23 H new ATOM 0 HH TYR A 124 15.766 -10.935 19.688 1.00 12.43 H new ATOM 1885 N HIS A 125 9.233 -8.172 14.483 1.00 71.23 N ATOM 1886 CA HIS A 125 7.934 -7.793 13.937 1.00 5.31 C ATOM 1887 C HIS A 125 6.820 -8.636 14.550 1.00 43.12 C ATOM 1888 O HIS A 125 7.030 -9.773 14.974 1.00 44.45 O ATOM 1889 CB HIS A 125 7.931 -7.949 12.416 1.00 21.52 C ATOM 1890 CG HIS A 125 9.077 -7.261 11.741 1.00 70.24 C ATOM 1891 ND1 HIS A 125 9.991 -7.923 10.948 1.00 11.00 N ATOM 1892 CD2 HIS A 125 9.454 -5.961 11.741 1.00 34.13 C ATOM 1893 CE1 HIS A 125 10.881 -7.060 10.492 1.00 61.11 C ATOM 1894 NE2 HIS A 125 10.577 -5.862 10.958 1.00 24.33 N ATOM 0 H HIS A 125 9.353 -9.174 14.630 1.00 71.23 H new ATOM 0 HA HIS A 125 7.753 -6.748 14.187 1.00 5.31 H new ATOM 0 HB2 HIS A 125 7.958 -9.010 12.168 1.00 21.52 H new ATOM 0 HB3 HIS A 125 6.996 -7.553 12.020 1.00 21.52 H new ATOM 0 HD2 HIS A 125 8.962 -5.152 12.261 1.00 34.13 H new ATOM 0 HE1 HIS A 125 11.715 -7.294 9.848 1.00 61.11 H new ATOM 0 HE2 HIS A 125 11.093 -5.003 10.767 1.00 24.33 H new ATOM 1902 N PRO A 126 5.606 -8.068 14.599 1.00 3.44 N ATOM 1903 CA PRO A 126 4.435 -8.749 15.159 1.00 63.44 C ATOM 1904 C PRO A 126 3.966 -9.907 14.284 1.00 53.33 C ATOM 1905 O PRO A 126 4.162 -9.897 13.069 1.00 42.11 O ATOM 1906 CB PRO A 126 3.373 -7.649 15.205 1.00 14.31 C ATOM 1907 CG PRO A 126 3.780 -6.683 14.146 1.00 23.51 C ATOM 1908 CD PRO A 126 5.283 -6.716 14.113 1.00 43.22 C ATOM 0 HA PRO A 126 4.648 -9.195 16.131 1.00 63.44 H new ATOM 0 HB2 PRO A 126 2.378 -8.051 15.013 1.00 14.31 H new ATOM 0 HB3 PRO A 126 3.340 -7.172 16.184 1.00 14.31 H new ATOM 0 HG2 PRO A 126 3.362 -6.964 13.179 1.00 23.51 H new ATOM 0 HG3 PRO A 126 3.416 -5.680 14.371 1.00 23.51 H new ATOM 0 HD2 PRO A 126 5.666 -6.549 13.106 1.00 43.22 H new ATOM 0 HD3 PRO A 126 5.716 -5.946 14.751 1.00 43.22 H new ATOM 1916 N GLN A 127 3.345 -10.901 14.909 1.00 35.24 N ATOM 1917 CA GLN A 127 2.847 -12.066 14.186 1.00 4.23 C ATOM 1918 C GLN A 127 1.344 -11.961 13.953 1.00 50.43 C ATOM 1919 O GLN A 127 0.585 -12.863 14.307 1.00 15.14 O ATOM 1920 CB GLN A 127 3.167 -13.347 14.959 1.00 41.22 C ATOM 1921 CG GLN A 127 4.627 -13.761 14.872 1.00 21.21 C ATOM 1922 CD GLN A 127 4.803 -15.265 14.791 1.00 1.24 C ATOM 1923 OE1 GLN A 127 3.945 -15.975 14.267 1.00 15.30 O ATOM 1924 NE2 GLN A 127 5.920 -15.759 15.312 1.00 64.02 N ATOM 0 H GLN A 127 3.174 -10.924 15.914 1.00 35.24 H new ATOM 0 HA GLN A 127 3.345 -12.101 13.217 1.00 4.23 H new ATOM 0 HB2 GLN A 127 2.900 -13.206 16.006 1.00 41.22 H new ATOM 0 HB3 GLN A 127 2.545 -14.157 14.578 1.00 41.22 H new ATOM 0 HG2 GLN A 127 5.080 -13.298 13.995 1.00 21.21 H new ATOM 0 HG3 GLN A 127 5.161 -13.383 15.744 1.00 21.21 H new ATOM 0 HE21 GLN A 127 6.605 -15.134 15.737 1.00 64.02 H new ATOM 0 HE22 GLN A 127 6.093 -16.764 15.287 1.00 64.02 H new ATOM 1933 N THR A 128 0.919 -10.852 13.354 1.00 61.44 N ATOM 1934 CA THR A 128 -0.493 -10.628 13.074 1.00 75.21 C ATOM 1935 C THR A 128 -0.779 -10.716 11.579 1.00 3.40 C ATOM 1936 O THR A 128 0.124 -10.570 10.755 1.00 44.23 O ATOM 1937 CB THR A 128 -0.958 -9.255 13.594 1.00 11.22 C ATOM 1938 OG1 THR A 128 -2.307 -9.006 13.183 1.00 31.14 O ATOM 1939 CG2 THR A 128 -0.053 -8.146 13.078 1.00 30.33 C ATOM 0 H THR A 128 1.534 -10.095 13.054 1.00 61.44 H new ATOM 0 HA THR A 128 -1.045 -11.411 13.593 1.00 75.21 H new ATOM 0 HB THR A 128 -0.907 -9.268 14.683 1.00 11.22 H new ATOM 0 HG1 THR A 128 -2.595 -8.132 13.519 1.00 31.14 H new ATOM 0 HG21 THR A 128 -0.401 -7.186 13.458 1.00 30.33 H new ATOM 0 HG22 THR A 128 0.968 -8.322 13.417 1.00 30.33 H new ATOM 0 HG23 THR A 128 -0.076 -8.135 11.988 1.00 30.33 H new