USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 900 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 45 THR OG1 : rot 37:sc= 1.34 USER MOD Set 1.2: A 103 SER OG : rot -167:sc= 1.17 USER MOD Set 2.1: A 34 GLN : amide:sc= -2.22 K(o=-2.8,f=-5.6!) USER MOD Set 2.2: A 105 THR OG1 : rot 110:sc= -0.592 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=-0.13) USER MOD Single : A 19 THR OG1 : rot 11:sc= 0.37 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 28 GLN : amide:sc= -1.65 K(o=-1.6,f=-2.3) USER MOD Single : A 29 SER OG : rot -69:sc= 0.211 USER MOD Single : A 30 CYS SG : rot -20:sc= 0.945 USER MOD Single : A 31 ASN : amide:sc= -0.309 K(o=-0.31,f=-1.9!) USER MOD Single : A 32 TYR OH : rot 130:sc= -0.0494 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -119:sc= -0.166 (180deg=-0.87) USER MOD Single : A 40 ASN :FLIP amide:sc= 0.148 F(o=-1.3!,f=0.15) USER MOD Single : A 43 THR OG1 : rot -58:sc= 1.26 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.165 K(o=-0.16,f=-1.2!) USER MOD Single : A 51 SER OG : rot -150:sc= -0.344 USER MOD Single : A 56 MET CE :methyl 139:sc= -1.1 (180deg=-3.38!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot -60:sc= -5.31! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 93 CYS SG : rot 180:sc= -0.0689 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot 180:sc= -0.12 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 GLN : amide:sc= -0.0933 K(o=-0.093,f=-1.3) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 10.794 12.743 4.980 1.00 62.20 N ATOM 136 CA ALA A 10 10.321 13.250 6.261 1.00 22.50 C ATOM 137 C ALA A 10 9.706 12.136 7.100 1.00 53.35 C ATOM 138 O ALA A 10 8.701 12.341 7.782 1.00 14.42 O ATOM 139 CB ALA A 10 9.313 14.370 6.046 1.00 62.32 C ATOM 0 HA ALA A 10 11.178 13.647 6.805 1.00 22.50 H new ATOM 0 HB1 ALA A 10 8.968 14.739 7.012 1.00 62.32 H new ATOM 0 HB2 ALA A 10 9.785 15.183 5.494 1.00 62.32 H new ATOM 0 HB3 ALA A 10 8.463 13.991 5.478 1.00 62.32 H new ATOM 145 N TYR A 11 10.314 10.956 7.046 1.00 11.33 N ATOM 146 CA TYR A 11 9.823 9.808 7.798 1.00 43.43 C ATOM 147 C TYR A 11 10.931 9.207 8.658 1.00 40.14 C ATOM 148 O TYR A 11 12.120 9.418 8.421 1.00 61.31 O ATOM 149 CB TYR A 11 9.270 8.746 6.846 1.00 73.42 C ATOM 150 CG TYR A 11 7.759 8.687 6.818 1.00 54.32 C ATOM 151 CD1 TYR A 11 7.005 9.818 6.531 1.00 13.41 C ATOM 152 CD2 TYR A 11 7.086 7.500 7.081 1.00 30.44 C ATOM 153 CE1 TYR A 11 5.625 9.769 6.505 1.00 34.21 C ATOM 154 CE2 TYR A 11 5.706 7.441 7.056 1.00 23.42 C ATOM 155 CZ TYR A 11 4.980 8.578 6.768 1.00 14.40 C ATOM 156 OH TYR A 11 3.605 8.523 6.743 1.00 32.51 O ATOM 0 H TYR A 11 11.148 10.770 6.489 1.00 11.33 H new ATOM 0 HA TYR A 11 9.023 10.151 8.454 1.00 43.43 H new ATOM 0 HB2 TYR A 11 9.636 8.946 5.839 1.00 73.42 H new ATOM 0 HB3 TYR A 11 9.658 7.770 7.138 1.00 73.42 H new ATOM 0 HD1 TYR A 11 7.507 10.752 6.325 1.00 13.41 H new ATOM 0 HD2 TYR A 11 7.651 6.608 7.309 1.00 30.44 H new ATOM 0 HE1 TYR A 11 5.054 10.658 6.280 1.00 34.21 H new ATOM 0 HE2 TYR A 11 5.198 6.510 7.261 1.00 23.42 H new ATOM 0 HH TYR A 11 3.310 7.611 6.949 1.00 32.51 H new ATOM 166 N PRO A 12 10.532 8.439 9.683 1.00 72.00 N ATOM 167 CA PRO A 12 9.119 8.181 9.976 1.00 1.34 C ATOM 168 C PRO A 12 8.399 9.421 10.497 1.00 54.44 C ATOM 169 O PRO A 12 9.010 10.290 11.118 1.00 24.22 O ATOM 170 CB PRO A 12 9.172 7.099 11.057 1.00 64.45 C ATOM 171 CG PRO A 12 10.497 7.284 11.713 1.00 31.41 C ATOM 172 CD PRO A 12 11.429 7.764 10.636 1.00 13.33 C ATOM 0 HA PRO A 12 8.566 7.885 9.085 1.00 1.34 H new ATOM 0 HB2 PRO A 12 8.357 7.213 11.772 1.00 64.45 H new ATOM 0 HB3 PRO A 12 9.080 6.103 10.625 1.00 64.45 H new ATOM 0 HG2 PRO A 12 10.433 8.009 12.525 1.00 31.41 H new ATOM 0 HG3 PRO A 12 10.851 6.349 12.147 1.00 31.41 H new ATOM 0 HD2 PRO A 12 12.182 8.446 11.031 1.00 13.33 H new ATOM 0 HD3 PRO A 12 11.963 6.936 10.168 1.00 13.33 H new ATOM 180 N LEU A 13 7.098 9.495 10.240 1.00 54.23 N ATOM 181 CA LEU A 13 6.293 10.628 10.684 1.00 41.45 C ATOM 182 C LEU A 13 5.463 10.259 11.909 1.00 63.34 C ATOM 183 O LEU A 13 4.684 9.307 11.880 1.00 3.21 O ATOM 184 CB LEU A 13 5.377 11.102 9.555 1.00 53.02 C ATOM 185 CG LEU A 13 4.295 12.108 9.947 1.00 64.11 C ATOM 186 CD1 LEU A 13 4.922 13.427 10.371 1.00 21.40 C ATOM 187 CD2 LEU A 13 3.324 12.324 8.795 1.00 75.13 C ATOM 0 H LEU A 13 6.578 8.784 9.726 1.00 54.23 H new ATOM 0 HA LEU A 13 6.969 11.438 10.958 1.00 41.45 H new ATOM 0 HB2 LEU A 13 5.995 11.548 8.776 1.00 53.02 H new ATOM 0 HB3 LEU A 13 4.892 10.230 9.117 1.00 53.02 H new ATOM 0 HG LEU A 13 3.740 11.704 10.793 1.00 64.11 H new ATOM 0 HD11 LEU A 13 4.137 14.131 10.647 1.00 21.40 H new ATOM 0 HD12 LEU A 13 5.577 13.260 11.226 1.00 21.40 H new ATOM 0 HD13 LEU A 13 5.503 13.836 9.544 1.00 21.40 H new ATOM 0 HD21 LEU A 13 2.561 13.043 9.092 1.00 75.13 H new ATOM 0 HD22 LEU A 13 3.865 12.706 7.930 1.00 75.13 H new ATOM 0 HD23 LEU A 13 2.849 11.377 8.537 1.00 75.13 H new ATOM 199 N ALA A 14 5.633 11.022 12.984 1.00 63.23 N ATOM 200 CA ALA A 14 4.896 10.779 14.218 1.00 55.31 C ATOM 201 C ALA A 14 3.391 10.855 13.982 1.00 72.51 C ATOM 202 O ALA A 14 2.880 11.864 13.493 1.00 55.45 O ATOM 203 CB ALA A 14 5.316 11.775 15.289 1.00 74.12 C ATOM 0 H ALA A 14 6.275 11.814 13.025 1.00 63.23 H new ATOM 0 HA ALA A 14 5.133 9.772 14.562 1.00 55.31 H new ATOM 0 HB1 ALA A 14 4.758 11.582 16.205 1.00 74.12 H new ATOM 0 HB2 ALA A 14 6.383 11.670 15.486 1.00 74.12 H new ATOM 0 HB3 ALA A 14 5.109 12.788 14.945 1.00 74.12 H new ATOM 209 N ASP A 15 2.687 9.785 14.333 1.00 11.10 N ATOM 210 CA ASP A 15 1.240 9.731 14.160 1.00 62.33 C ATOM 211 C ASP A 15 0.535 10.579 15.215 1.00 25.54 C ATOM 212 O ASP A 15 1.173 11.125 16.114 1.00 63.50 O ATOM 213 CB ASP A 15 0.748 8.286 14.239 1.00 44.34 C ATOM 214 CG ASP A 15 1.257 7.568 15.475 1.00 11.44 C ATOM 215 OD1 ASP A 15 2.395 7.053 15.435 1.00 63.01 O ATOM 216 OD2 ASP A 15 0.518 7.521 16.480 1.00 3.32 O ATOM 0 H ASP A 15 3.095 8.943 14.739 1.00 11.10 H new ATOM 0 HA ASP A 15 1.002 10.134 13.176 1.00 62.33 H new ATOM 0 HB2 ASP A 15 -0.342 8.276 14.239 1.00 44.34 H new ATOM 0 HB3 ASP A 15 1.072 7.746 13.349 1.00 44.34 H new ATOM 221 N ALA A 16 -0.784 10.687 15.095 1.00 74.51 N ATOM 222 CA ALA A 16 -1.576 11.468 16.038 1.00 1.12 C ATOM 223 C ALA A 16 -1.396 10.955 17.462 1.00 22.21 C ATOM 224 O ALA A 16 -1.304 11.738 18.408 1.00 34.35 O ATOM 225 CB ALA A 16 -3.045 11.437 15.646 1.00 10.25 C ATOM 0 H ALA A 16 -1.327 10.244 14.354 1.00 74.51 H new ATOM 0 HA ALA A 16 -1.224 12.499 16.004 1.00 1.12 H new ATOM 0 HB1 ALA A 16 -3.624 12.024 16.359 1.00 10.25 H new ATOM 0 HB2 ALA A 16 -3.164 11.858 14.648 1.00 10.25 H new ATOM 0 HB3 ALA A 16 -3.401 10.407 15.650 1.00 10.25 H new ATOM 231 N HIS A 17 -1.347 9.634 17.609 1.00 21.12 N ATOM 232 CA HIS A 17 -1.178 9.017 18.920 1.00 34.45 C ATOM 233 C HIS A 17 0.216 9.294 19.475 1.00 74.33 C ATOM 234 O HIS A 17 0.400 9.413 20.687 1.00 30.22 O ATOM 235 CB HIS A 17 -1.416 7.509 18.831 1.00 44.45 C ATOM 236 CG HIS A 17 -2.468 7.012 19.772 1.00 50.41 C ATOM 237 ND1 HIS A 17 -3.749 7.521 19.806 1.00 53.22 N ATOM 238 CD2 HIS A 17 -2.425 6.043 20.717 1.00 12.52 C ATOM 239 CE1 HIS A 17 -4.448 6.888 20.732 1.00 1.53 C ATOM 240 NE2 HIS A 17 -3.668 5.986 21.298 1.00 63.54 N ATOM 0 H HIS A 17 -1.422 8.971 16.837 1.00 21.12 H new ATOM 0 HA HIS A 17 -1.912 9.453 19.598 1.00 34.45 H new ATOM 0 HB2 HIS A 17 -1.703 7.255 17.811 1.00 44.45 H new ATOM 0 HB3 HIS A 17 -0.481 6.989 19.038 1.00 44.45 H new ATOM 0 HD2 HIS A 17 -1.572 5.429 20.967 1.00 12.52 H new ATOM 0 HE1 HIS A 17 -5.481 7.077 20.983 1.00 1.53 H new ATOM 0 HE2 HIS A 17 -3.944 5.350 22.046 1.00 63.54 H new ATOM 248 N LEU A 18 1.194 9.392 18.582 1.00 22.44 N ATOM 249 CA LEU A 18 2.572 9.654 18.983 1.00 3.13 C ATOM 250 C LEU A 18 2.758 11.118 19.368 1.00 71.55 C ATOM 251 O LEU A 18 3.407 11.432 20.368 1.00 13.53 O ATOM 252 CB LEU A 18 3.532 9.287 17.850 1.00 11.24 C ATOM 253 CG LEU A 18 4.417 8.063 18.090 1.00 12.23 C ATOM 254 CD1 LEU A 18 5.214 7.727 16.839 1.00 35.21 C ATOM 255 CD2 LEU A 18 5.347 8.301 19.269 1.00 62.21 C ATOM 0 H LEU A 18 1.059 9.294 17.576 1.00 22.44 H new ATOM 0 HA LEU A 18 2.795 9.037 19.854 1.00 3.13 H new ATOM 0 HB2 LEU A 18 2.947 9.116 16.946 1.00 11.24 H new ATOM 0 HB3 LEU A 18 4.177 10.144 17.655 1.00 11.24 H new ATOM 0 HG LEU A 18 3.775 7.214 18.325 1.00 12.23 H new ATOM 0 HD11 LEU A 18 5.838 6.854 17.029 1.00 35.21 H new ATOM 0 HD12 LEU A 18 4.530 7.513 16.018 1.00 35.21 H new ATOM 0 HD13 LEU A 18 5.847 8.574 16.572 1.00 35.21 H new ATOM 0 HD21 LEU A 18 5.969 7.420 19.425 1.00 62.21 H new ATOM 0 HD22 LEU A 18 5.983 9.162 19.063 1.00 62.21 H new ATOM 0 HD23 LEU A 18 4.757 8.492 20.165 1.00 62.21 H new ATOM 267 N THR A 19 2.183 12.012 18.571 1.00 23.10 N ATOM 268 CA THR A 19 2.285 13.444 18.828 1.00 73.05 C ATOM 269 C THR A 19 1.744 13.793 20.209 1.00 74.41 C ATOM 270 O THR A 19 2.324 14.608 20.927 1.00 30.31 O ATOM 271 CB THR A 19 1.521 14.261 17.768 1.00 43.35 C ATOM 272 OG1 THR A 19 0.259 13.647 17.492 1.00 55.42 O ATOM 273 CG2 THR A 19 2.330 14.370 16.485 1.00 10.30 C ATOM 0 H THR A 19 1.641 11.770 17.741 1.00 23.10 H new ATOM 0 HA THR A 19 3.343 13.700 18.779 1.00 73.05 H new ATOM 0 HB THR A 19 1.357 15.264 18.162 1.00 43.35 H new ATOM 0 HG1 THR A 19 0.085 12.946 18.154 1.00 55.42 H new ATOM 0 HG21 THR A 19 1.771 14.951 15.751 1.00 10.30 H new ATOM 0 HG22 THR A 19 3.278 14.865 16.694 1.00 10.30 H new ATOM 0 HG23 THR A 19 2.521 13.372 16.089 1.00 10.30 H new ATOM 281 N LYS A 20 0.628 13.172 20.578 1.00 23.15 N ATOM 282 CA LYS A 20 0.008 13.416 21.874 1.00 52.44 C ATOM 283 C LYS A 20 1.016 13.224 23.004 1.00 21.22 C ATOM 284 O LYS A 20 1.149 14.077 23.881 1.00 63.54 O ATOM 285 CB LYS A 20 -1.184 12.478 22.077 1.00 34.21 C ATOM 286 CG LYS A 20 -2.521 13.196 22.125 1.00 32.12 C ATOM 287 CD LYS A 20 -3.637 12.336 21.555 1.00 63.21 C ATOM 288 CE LYS A 20 -4.894 12.418 22.408 1.00 54.02 C ATOM 289 NZ LYS A 20 -5.988 11.563 21.868 1.00 44.10 N ATOM 0 H LYS A 20 0.134 12.495 19.996 1.00 23.15 H new ATOM 0 HA LYS A 20 -0.342 14.448 21.893 1.00 52.44 H new ATOM 0 HB2 LYS A 20 -1.202 11.747 21.269 1.00 34.21 H new ATOM 0 HB3 LYS A 20 -1.045 11.923 23.005 1.00 34.21 H new ATOM 0 HG2 LYS A 20 -2.756 13.462 23.156 1.00 32.12 H new ATOM 0 HG3 LYS A 20 -2.455 14.128 21.563 1.00 32.12 H new ATOM 0 HD2 LYS A 20 -3.864 12.659 20.539 1.00 63.21 H new ATOM 0 HD3 LYS A 20 -3.304 11.300 21.494 1.00 63.21 H new ATOM 0 HE2 LYS A 20 -4.662 12.110 23.427 1.00 54.02 H new ATOM 0 HE3 LYS A 20 -5.233 13.453 22.457 1.00 54.02 H new ATOM 0 HZ1 LYS A 20 -6.827 11.647 22.477 1.00 44.10 H new ATOM 0 HZ2 LYS A 20 -6.227 11.873 20.905 1.00 44.10 H new ATOM 0 HZ3 LYS A 20 -5.674 10.572 21.845 1.00 44.10 H new ATOM 303 N LYS A 21 1.726 12.102 22.974 1.00 34.31 N ATOM 304 CA LYS A 21 2.724 11.799 23.992 1.00 60.23 C ATOM 305 C LYS A 21 3.980 12.639 23.789 1.00 62.30 C ATOM 306 O LYS A 21 4.615 13.068 24.755 1.00 3.44 O ATOM 307 CB LYS A 21 3.081 10.311 23.960 1.00 63.20 C ATOM 308 CG LYS A 21 1.945 9.403 24.397 1.00 42.31 C ATOM 309 CD LYS A 21 1.975 8.077 23.655 1.00 44.23 C ATOM 310 CE LYS A 21 3.017 7.135 24.238 1.00 64.44 C ATOM 311 NZ LYS A 21 2.644 5.707 24.043 1.00 44.14 N ATOM 0 H LYS A 21 1.628 11.386 22.254 1.00 34.31 H new ATOM 0 HA LYS A 21 2.299 12.043 24.966 1.00 60.23 H new ATOM 0 HB2 LYS A 21 3.383 10.040 22.948 1.00 63.20 H new ATOM 0 HB3 LYS A 21 3.942 10.139 24.606 1.00 63.20 H new ATOM 0 HG2 LYS A 21 2.014 9.223 25.470 1.00 42.31 H new ATOM 0 HG3 LYS A 21 0.991 9.900 24.218 1.00 42.31 H new ATOM 0 HD2 LYS A 21 0.992 7.609 23.704 1.00 44.23 H new ATOM 0 HD3 LYS A 21 2.191 8.253 22.601 1.00 44.23 H new ATOM 0 HE2 LYS A 21 3.982 7.326 23.769 1.00 64.44 H new ATOM 0 HE3 LYS A 21 3.135 7.338 25.303 1.00 64.44 H new ATOM 0 HZ1 LYS A 21 3.379 5.097 24.454 1.00 44.14 H new ATOM 0 HZ2 LYS A 21 1.735 5.518 24.512 1.00 44.14 H new ATOM 0 HZ3 LYS A 21 2.557 5.507 23.026 1.00 44.14 H new ATOM 325 N LEU A 22 4.332 12.874 22.530 1.00 41.31 N ATOM 326 CA LEU A 22 5.513 13.666 22.201 1.00 70.12 C ATOM 327 C LEU A 22 5.410 15.068 22.791 1.00 24.12 C ATOM 328 O LEU A 22 6.340 15.552 23.437 1.00 42.22 O ATOM 329 CB LEU A 22 5.687 13.750 20.683 1.00 24.21 C ATOM 330 CG LEU A 22 7.012 14.334 20.191 1.00 74.21 C ATOM 331 CD1 LEU A 22 8.168 13.417 20.559 1.00 14.31 C ATOM 332 CD2 LEU A 22 6.967 14.563 18.688 1.00 2.50 C ATOM 0 H LEU A 22 3.817 12.528 21.720 1.00 41.31 H new ATOM 0 HA LEU A 22 6.384 13.173 22.634 1.00 70.12 H new ATOM 0 HB2 LEU A 22 5.579 12.748 20.269 1.00 24.21 H new ATOM 0 HB3 LEU A 22 4.874 14.352 20.277 1.00 24.21 H new ATOM 0 HG LEU A 22 7.169 15.295 20.680 1.00 74.21 H new ATOM 0 HD11 LEU A 22 9.103 13.848 20.201 1.00 14.31 H new ATOM 0 HD12 LEU A 22 8.212 13.304 21.642 1.00 14.31 H new ATOM 0 HD13 LEU A 22 8.019 12.441 20.098 1.00 14.31 H new ATOM 0 HD21 LEU A 22 7.918 14.979 18.355 1.00 2.50 H new ATOM 0 HD22 LEU A 22 6.788 13.615 18.181 1.00 2.50 H new ATOM 0 HD23 LEU A 22 6.163 15.259 18.450 1.00 2.50 H new ATOM 344 N LEU A 23 4.272 15.717 22.566 1.00 63.31 N ATOM 345 CA LEU A 23 4.046 17.064 23.078 1.00 63.14 C ATOM 346 C LEU A 23 4.236 17.111 24.591 1.00 41.03 C ATOM 347 O LEU A 23 4.729 18.100 25.135 1.00 10.11 O ATOM 348 CB LEU A 23 2.638 17.540 22.715 1.00 1.42 C ATOM 349 CG LEU A 23 2.447 18.034 21.280 1.00 12.31 C ATOM 350 CD1 LEU A 23 0.993 17.895 20.858 1.00 14.31 C ATOM 351 CD2 LEU A 23 2.907 19.479 21.148 1.00 74.22 C ATOM 0 H LEU A 23 3.492 15.332 22.033 1.00 63.31 H new ATOM 0 HA LEU A 23 4.778 17.728 22.617 1.00 63.14 H new ATOM 0 HB2 LEU A 23 1.942 16.720 22.892 1.00 1.42 H new ATOM 0 HB3 LEU A 23 2.361 18.345 23.395 1.00 1.42 H new ATOM 0 HG LEU A 23 3.057 17.418 20.619 1.00 12.31 H new ATOM 0 HD11 LEU A 23 0.876 18.251 19.835 1.00 14.31 H new ATOM 0 HD12 LEU A 23 0.696 16.848 20.914 1.00 14.31 H new ATOM 0 HD13 LEU A 23 0.363 18.486 21.523 1.00 14.31 H new ATOM 0 HD21 LEU A 23 2.764 19.814 20.121 1.00 74.22 H new ATOM 0 HD22 LEU A 23 2.324 20.109 21.820 1.00 74.22 H new ATOM 0 HD23 LEU A 23 3.963 19.550 21.409 1.00 74.22 H new ATOM 363 N ASP A 24 3.844 16.036 25.265 1.00 35.25 N ATOM 364 CA ASP A 24 3.973 15.953 26.716 1.00 1.45 C ATOM 365 C ASP A 24 5.436 15.812 27.122 1.00 41.14 C ATOM 366 O ASP A 24 5.835 16.244 28.205 1.00 62.02 O ATOM 367 CB ASP A 24 3.165 14.771 27.254 1.00 22.22 C ATOM 368 CG ASP A 24 2.447 15.103 28.547 1.00 73.01 C ATOM 369 OD1 ASP A 24 3.026 15.834 29.377 1.00 24.43 O ATOM 370 OD2 ASP A 24 1.305 14.631 28.730 1.00 3.23 O ATOM 0 H ASP A 24 3.434 15.209 24.830 1.00 35.25 H new ATOM 0 HA ASP A 24 3.582 16.875 27.146 1.00 1.45 H new ATOM 0 HB2 ASP A 24 2.435 14.462 26.505 1.00 22.22 H new ATOM 0 HB3 ASP A 24 3.831 13.924 27.418 1.00 22.22 H new ATOM 375 N LEU A 25 6.232 15.204 26.249 1.00 73.21 N ATOM 376 CA LEU A 25 7.652 15.005 26.519 1.00 50.50 C ATOM 377 C LEU A 25 8.339 16.332 26.828 1.00 13.10 C ATOM 378 O LEU A 25 9.059 16.453 27.819 1.00 4.15 O ATOM 379 CB LEU A 25 8.329 14.334 25.322 1.00 23.11 C ATOM 380 CG LEU A 25 9.241 13.149 25.643 1.00 30.21 C ATOM 381 CD1 LEU A 25 10.393 13.589 26.533 1.00 34.20 C ATOM 382 CD2 LEU A 25 8.449 12.032 26.307 1.00 0.53 C ATOM 0 H LEU A 25 5.919 14.841 25.349 1.00 73.21 H new ATOM 0 HA LEU A 25 7.744 14.358 27.391 1.00 50.50 H new ATOM 0 HB2 LEU A 25 7.554 13.994 24.635 1.00 23.11 H new ATOM 0 HB3 LEU A 25 8.916 15.086 24.794 1.00 23.11 H new ATOM 0 HG LEU A 25 9.654 12.769 24.709 1.00 30.21 H new ATOM 0 HD11 LEU A 25 11.032 12.733 26.751 1.00 34.20 H new ATOM 0 HD12 LEU A 25 10.976 14.355 26.022 1.00 34.20 H new ATOM 0 HD13 LEU A 25 9.999 13.994 27.465 1.00 34.20 H new ATOM 0 HD21 LEU A 25 9.113 11.197 26.528 1.00 0.53 H new ATOM 0 HD22 LEU A 25 8.007 12.400 27.233 1.00 0.53 H new ATOM 0 HD23 LEU A 25 7.658 11.698 25.636 1.00 0.53 H new ATOM 394 N VAL A 26 8.110 17.324 25.974 1.00 21.32 N ATOM 395 CA VAL A 26 8.703 18.643 26.157 1.00 61.34 C ATOM 396 C VAL A 26 8.423 19.182 27.556 1.00 33.42 C ATOM 397 O VAL A 26 9.336 19.606 28.263 1.00 24.54 O ATOM 398 CB VAL A 26 8.174 19.647 25.116 1.00 52.24 C ATOM 399 CG1 VAL A 26 8.849 20.999 25.287 1.00 24.32 C ATOM 400 CG2 VAL A 26 8.384 19.112 23.708 1.00 12.44 C ATOM 0 H VAL A 26 7.518 17.239 25.148 1.00 21.32 H new ATOM 0 HA VAL A 26 9.779 18.527 26.024 1.00 61.34 H new ATOM 0 HB VAL A 26 7.104 19.780 25.275 1.00 52.24 H new ATOM 0 HG11 VAL A 26 8.463 21.695 24.543 1.00 24.32 H new ATOM 0 HG12 VAL A 26 8.644 21.384 26.286 1.00 24.32 H new ATOM 0 HG13 VAL A 26 9.925 20.888 25.155 1.00 24.32 H new ATOM 0 HG21 VAL A 26 8.005 19.833 22.984 1.00 12.44 H new ATOM 0 HG22 VAL A 26 9.448 18.950 23.535 1.00 12.44 H new ATOM 0 HG23 VAL A 26 7.850 18.169 23.594 1.00 12.44 H new ATOM 410 N GLN A 27 7.153 19.162 27.947 1.00 35.52 N ATOM 411 CA GLN A 27 6.751 19.650 29.261 1.00 52.34 C ATOM 412 C GLN A 27 7.484 18.899 30.368 1.00 51.33 C ATOM 413 O GLN A 27 7.746 19.451 31.437 1.00 15.53 O ATOM 414 CB GLN A 27 5.239 19.502 29.444 1.00 21.21 C ATOM 415 CG GLN A 27 4.675 20.366 30.561 1.00 15.15 C ATOM 416 CD GLN A 27 3.758 21.459 30.046 1.00 52.11 C ATOM 417 OE1 GLN A 27 4.109 22.196 29.125 1.00 3.14 O ATOM 418 NE2 GLN A 27 2.576 21.569 30.640 1.00 73.22 N ATOM 0 H GLN A 27 6.385 18.813 27.373 1.00 35.52 H new ATOM 0 HA GLN A 27 7.016 20.705 29.325 1.00 52.34 H new ATOM 0 HB2 GLN A 27 4.741 19.760 28.509 1.00 21.21 H new ATOM 0 HB3 GLN A 27 5.007 18.457 29.651 1.00 21.21 H new ATOM 0 HG2 GLN A 27 4.126 19.736 31.261 1.00 15.15 H new ATOM 0 HG3 GLN A 27 5.497 20.818 31.116 1.00 15.15 H new ATOM 0 HE21 GLN A 27 2.326 20.936 31.400 1.00 73.22 H new ATOM 0 HE22 GLN A 27 1.917 22.286 30.336 1.00 73.22 H new ATOM 427 N GLN A 28 7.813 17.638 30.103 1.00 73.33 N ATOM 428 CA GLN A 28 8.515 16.812 31.078 1.00 72.43 C ATOM 429 C GLN A 28 9.981 17.220 31.182 1.00 75.41 C ATOM 430 O GLN A 28 10.591 17.112 32.246 1.00 52.53 O ATOM 431 CB GLN A 28 8.410 15.335 30.695 1.00 53.24 C ATOM 432 CG GLN A 28 7.353 14.576 31.481 1.00 63.03 C ATOM 433 CD GLN A 28 7.439 13.076 31.277 1.00 74.01 C ATOM 434 OE1 GLN A 28 8.052 12.602 30.321 1.00 11.33 O ATOM 435 NE2 GLN A 28 6.822 12.320 32.178 1.00 42.03 N ATOM 0 H GLN A 28 7.605 17.167 29.222 1.00 73.33 H new ATOM 0 HA GLN A 28 8.045 16.962 32.050 1.00 72.43 H new ATOM 0 HB2 GLN A 28 8.184 15.259 29.631 1.00 53.24 H new ATOM 0 HB3 GLN A 28 9.378 14.858 30.850 1.00 53.24 H new ATOM 0 HG2 GLN A 28 7.463 14.801 32.542 1.00 63.03 H new ATOM 0 HG3 GLN A 28 6.364 14.923 31.182 1.00 63.03 H new ATOM 0 HE21 GLN A 28 6.325 12.756 32.955 1.00 42.03 H new ATOM 0 HE22 GLN A 28 6.845 11.304 32.093 1.00 42.03 H new ATOM 444 N SER A 29 10.540 17.688 30.072 1.00 24.43 N ATOM 445 CA SER A 29 11.936 18.110 30.037 1.00 14.41 C ATOM 446 C SER A 29 12.152 19.347 30.901 1.00 32.53 C ATOM 447 O SER A 29 13.040 19.375 31.755 1.00 34.30 O ATOM 448 CB SER A 29 12.368 18.396 28.598 1.00 2.20 C ATOM 449 OG SER A 29 13.778 18.499 28.500 1.00 41.15 O ATOM 0 H SER A 29 10.048 17.785 29.184 1.00 24.43 H new ATOM 0 HA SER A 29 12.545 17.299 30.437 1.00 14.41 H new ATOM 0 HB2 SER A 29 12.012 17.601 27.943 1.00 2.20 H new ATOM 0 HB3 SER A 29 11.908 19.322 28.254 1.00 2.20 H new ATOM 0 HG SER A 29 14.078 19.317 28.949 1.00 41.15 H new ATOM 455 N CYS A 30 11.335 20.370 30.674 1.00 34.31 N ATOM 456 CA CYS A 30 11.436 21.612 31.431 1.00 70.32 C ATOM 457 C CYS A 30 11.057 21.392 32.892 1.00 11.42 C ATOM 458 O CYS A 30 11.519 22.108 33.778 1.00 71.52 O ATOM 459 CB CYS A 30 10.535 22.684 30.815 1.00 4.40 C ATOM 460 SG CYS A 30 8.767 22.339 30.966 1.00 74.10 S ATOM 0 H CYS A 30 10.595 20.363 29.972 1.00 34.31 H new ATOM 0 HA CYS A 30 12.472 21.949 31.390 1.00 70.32 H new ATOM 0 HB2 CYS A 30 10.749 23.641 31.291 1.00 4.40 H new ATOM 0 HB3 CYS A 30 10.785 22.790 29.759 1.00 4.40 H new ATOM 0 HG CYS A 30 8.589 21.069 31.177 1.00 74.10 H new ATOM 466 N ASN A 31 10.211 20.396 33.135 1.00 52.41 N ATOM 467 CA ASN A 31 9.768 20.082 34.489 1.00 1.45 C ATOM 468 C ASN A 31 10.954 19.728 35.381 1.00 23.15 C ATOM 469 O ASN A 31 10.933 19.978 36.586 1.00 22.15 O ATOM 470 CB ASN A 31 8.770 18.922 34.464 1.00 51.21 C ATOM 471 CG ASN A 31 7.331 19.398 34.484 1.00 73.41 C ATOM 472 OD1 ASN A 31 7.026 20.468 35.010 1.00 4.13 O ATOM 473 ND2 ASN A 31 6.436 18.601 33.910 1.00 23.41 N ATOM 0 H ASN A 31 9.819 19.793 32.412 1.00 52.41 H new ATOM 0 HA ASN A 31 9.279 20.965 34.899 1.00 1.45 H new ATOM 0 HB2 ASN A 31 8.939 18.320 33.571 1.00 51.21 H new ATOM 0 HB3 ASN A 31 8.948 18.275 35.323 1.00 51.21 H new ATOM 0 HD21 ASN A 31 5.452 18.868 33.894 1.00 23.41 H new ATOM 0 HD22 ASN A 31 6.733 17.722 33.486 1.00 23.41 H new ATOM 480 N TYR A 32 11.986 19.147 34.780 1.00 42.42 N ATOM 481 CA TYR A 32 13.181 18.757 35.520 1.00 21.34 C ATOM 482 C TYR A 32 14.286 19.796 35.357 1.00 2.15 C ATOM 483 O TYR A 32 15.472 19.480 35.454 1.00 12.42 O ATOM 484 CB TYR A 32 13.677 17.390 35.047 1.00 0.34 C ATOM 485 CG TYR A 32 13.940 16.418 36.174 1.00 54.10 C ATOM 486 CD1 TYR A 32 15.069 16.538 36.973 1.00 43.42 C ATOM 487 CD2 TYR A 32 13.056 15.378 36.441 1.00 71.03 C ATOM 488 CE1 TYR A 32 15.314 15.651 38.003 1.00 2.20 C ATOM 489 CE2 TYR A 32 13.292 14.488 37.470 1.00 54.44 C ATOM 490 CZ TYR A 32 14.422 14.628 38.249 1.00 10.24 C ATOM 491 OH TYR A 32 14.661 13.743 39.274 1.00 64.33 O ATOM 0 H TYR A 32 12.020 18.936 33.783 1.00 42.42 H new ATOM 0 HA TYR A 32 12.919 18.695 36.576 1.00 21.34 H new ATOM 0 HB2 TYR A 32 12.938 16.959 34.372 1.00 0.34 H new ATOM 0 HB3 TYR A 32 14.594 17.524 34.473 1.00 0.34 H new ATOM 0 HD1 TYR A 32 15.768 17.339 36.786 1.00 43.42 H new ATOM 0 HD2 TYR A 32 12.170 15.265 35.833 1.00 71.03 H new ATOM 0 HE1 TYR A 32 16.199 15.758 38.612 1.00 2.20 H new ATOM 0 HE2 TYR A 32 12.595 13.686 37.664 1.00 54.44 H new ATOM 0 HH TYR A 32 13.859 13.663 39.831 1.00 64.33 H new ATOM 501 N LYS A 33 13.887 21.039 35.108 1.00 4.21 N ATOM 502 CA LYS A 33 14.842 22.128 34.932 1.00 11.04 C ATOM 503 C LYS A 33 15.795 21.835 33.778 1.00 12.03 C ATOM 504 O LYS A 33 16.983 22.145 33.850 1.00 4.42 O ATOM 505 CB LYS A 33 15.637 22.350 36.221 1.00 32.01 C ATOM 506 CG LYS A 33 14.774 22.379 37.471 1.00 2.23 C ATOM 507 CD LYS A 33 15.600 22.680 38.710 1.00 34.32 C ATOM 508 CE LYS A 33 14.803 23.481 39.729 1.00 53.31 C ATOM 509 NZ LYS A 33 15.556 23.665 41.000 1.00 60.43 N ATOM 0 H LYS A 33 12.909 21.318 35.024 1.00 4.21 H new ATOM 0 HA LYS A 33 14.283 23.034 34.697 1.00 11.04 H new ATOM 0 HB2 LYS A 33 16.380 21.558 36.321 1.00 32.01 H new ATOM 0 HB3 LYS A 33 16.182 23.291 36.144 1.00 32.01 H new ATOM 0 HG2 LYS A 33 13.995 23.133 37.359 1.00 2.23 H new ATOM 0 HG3 LYS A 33 14.273 21.419 37.591 1.00 2.23 H new ATOM 0 HD2 LYS A 33 15.935 21.746 39.161 1.00 34.32 H new ATOM 0 HD3 LYS A 33 16.494 23.236 38.427 1.00 34.32 H new ATOM 0 HE2 LYS A 33 14.554 24.456 39.310 1.00 53.31 H new ATOM 0 HE3 LYS A 33 13.861 22.972 39.935 1.00 53.31 H new ATOM 0 HZ1 LYS A 33 14.980 24.215 41.668 1.00 60.43 H new ATOM 0 HZ2 LYS A 33 15.772 22.735 41.413 1.00 60.43 H new ATOM 0 HZ3 LYS A 33 16.443 24.173 40.808 1.00 60.43 H new ATOM 523 N GLN A 34 15.265 21.238 32.715 1.00 30.44 N ATOM 524 CA GLN A 34 16.070 20.905 31.546 1.00 52.23 C ATOM 525 C GLN A 34 15.378 21.355 30.263 1.00 13.33 C ATOM 526 O GLN A 34 14.179 21.137 30.082 1.00 63.53 O ATOM 527 CB GLN A 34 16.335 19.399 31.495 1.00 74.14 C ATOM 528 CG GLN A 34 17.353 18.926 32.521 1.00 71.32 C ATOM 529 CD GLN A 34 16.897 17.686 33.265 1.00 61.24 C ATOM 530 OE1 GLN A 34 17.018 17.603 34.488 1.00 4.01 O ATOM 531 NE2 GLN A 34 16.370 16.714 32.531 1.00 25.10 N ATOM 0 H GLN A 34 14.282 20.975 32.639 1.00 30.44 H new ATOM 0 HA GLN A 34 17.021 21.431 31.629 1.00 52.23 H new ATOM 0 HB2 GLN A 34 15.397 18.868 31.654 1.00 74.14 H new ATOM 0 HB3 GLN A 34 16.686 19.134 30.498 1.00 74.14 H new ATOM 0 HG2 GLN A 34 18.298 18.718 32.020 1.00 71.32 H new ATOM 0 HG3 GLN A 34 17.541 19.726 33.237 1.00 71.32 H new ATOM 0 HE21 GLN A 34 16.289 16.825 31.520 1.00 25.10 H new ATOM 0 HE22 GLN A 34 16.046 15.856 32.978 1.00 25.10 H new ATOM 540 N LEU A 35 16.141 21.982 29.375 1.00 13.11 N ATOM 541 CA LEU A 35 15.601 22.463 28.108 1.00 10.44 C ATOM 542 C LEU A 35 16.722 22.896 27.168 1.00 61.31 C ATOM 543 O LEU A 35 17.764 23.380 27.610 1.00 41.52 O ATOM 544 CB LEU A 35 14.644 23.631 28.349 1.00 31.03 C ATOM 545 CG LEU A 35 13.315 23.576 27.594 1.00 51.04 C ATOM 546 CD1 LEU A 35 12.365 24.648 28.105 1.00 44.12 C ATOM 547 CD2 LEU A 35 13.545 23.734 26.099 1.00 13.34 C ATOM 0 H LEU A 35 17.135 22.169 29.508 1.00 13.11 H new ATOM 0 HA LEU A 35 15.055 21.644 27.640 1.00 10.44 H new ATOM 0 HB2 LEU A 35 14.431 23.686 29.417 1.00 31.03 H new ATOM 0 HB3 LEU A 35 15.155 24.555 28.078 1.00 31.03 H new ATOM 0 HG LEU A 35 12.859 22.602 27.771 1.00 51.04 H new ATOM 0 HD11 LEU A 35 11.425 24.593 27.556 1.00 44.12 H new ATOM 0 HD12 LEU A 35 12.175 24.490 29.167 1.00 44.12 H new ATOM 0 HD13 LEU A 35 12.813 25.631 27.959 1.00 44.12 H new ATOM 0 HD21 LEU A 35 12.589 23.692 25.577 1.00 13.34 H new ATOM 0 HD22 LEU A 35 14.023 24.694 25.904 1.00 13.34 H new ATOM 0 HD23 LEU A 35 14.188 22.929 25.743 1.00 13.34 H new ATOM 559 N ARG A 36 16.500 22.722 25.869 1.00 73.21 N ATOM 560 CA ARG A 36 17.491 23.095 24.867 1.00 74.20 C ATOM 561 C ARG A 36 16.816 23.639 23.612 1.00 34.32 C ATOM 562 O ARG A 36 16.151 22.903 22.882 1.00 11.41 O ATOM 563 CB ARG A 36 18.363 21.892 24.509 1.00 42.53 C ATOM 564 CG ARG A 36 19.726 22.272 23.950 1.00 73.32 C ATOM 565 CD ARG A 36 20.661 22.759 25.047 1.00 34.12 C ATOM 566 NE ARG A 36 21.089 24.139 24.829 1.00 15.14 N ATOM 567 CZ ARG A 36 21.737 24.859 25.736 1.00 64.02 C ATOM 568 NH1 ARG A 36 22.033 24.334 26.917 1.00 33.41 N ATOM 569 NH2 ARG A 36 22.093 26.108 25.463 1.00 20.02 N ATOM 0 H ARG A 36 15.642 22.325 25.486 1.00 73.21 H new ATOM 0 HA ARG A 36 18.121 23.878 25.289 1.00 74.20 H new ATOM 0 HB2 ARG A 36 18.503 21.278 25.399 1.00 42.53 H new ATOM 0 HB3 ARG A 36 17.838 21.278 23.777 1.00 42.53 H new ATOM 0 HG2 ARG A 36 20.168 21.411 23.449 1.00 73.32 H new ATOM 0 HG3 ARG A 36 19.608 23.052 23.198 1.00 73.32 H new ATOM 0 HD2 ARG A 36 20.159 22.683 26.011 1.00 34.12 H new ATOM 0 HD3 ARG A 36 21.536 22.111 25.092 1.00 34.12 H new ATOM 0 HE ARG A 36 20.878 24.573 23.930 1.00 15.14 H new ATOM 0 HH11 ARG A 36 21.763 23.374 27.131 1.00 33.41 H new ATOM 0 HH12 ARG A 36 22.531 24.890 27.612 1.00 33.41 H new ATOM 0 HH21 ARG A 36 21.869 26.515 24.555 1.00 20.02 H new ATOM 0 HH22 ARG A 36 22.591 26.660 26.161 1.00 20.02 H new ATOM 583 N LYS A 37 16.989 24.933 23.366 1.00 64.00 N ATOM 584 CA LYS A 37 16.398 25.577 22.199 1.00 42.13 C ATOM 585 C LYS A 37 17.480 26.106 21.263 1.00 2.33 C ATOM 586 O LYS A 37 17.862 27.273 21.338 1.00 42.31 O ATOM 587 CB LYS A 37 15.480 26.722 22.632 1.00 72.44 C ATOM 588 CG LYS A 37 14.530 26.347 23.758 1.00 1.13 C ATOM 589 CD LYS A 37 13.574 27.483 24.082 1.00 44.40 C ATOM 590 CE LYS A 37 14.013 28.241 25.326 1.00 30.22 C ATOM 591 NZ LYS A 37 13.307 27.761 26.545 1.00 61.23 N ATOM 0 H LYS A 37 17.535 25.557 23.960 1.00 64.00 H new ATOM 0 HA LYS A 37 15.811 24.831 21.663 1.00 42.13 H new ATOM 0 HB2 LYS A 37 16.091 27.567 22.950 1.00 72.44 H new ATOM 0 HB3 LYS A 37 14.898 27.055 21.773 1.00 72.44 H new ATOM 0 HG2 LYS A 37 13.961 25.461 23.476 1.00 1.13 H new ATOM 0 HG3 LYS A 37 15.103 26.088 24.648 1.00 1.13 H new ATOM 0 HD2 LYS A 37 13.521 28.169 23.236 1.00 44.40 H new ATOM 0 HD3 LYS A 37 12.571 27.084 24.232 1.00 44.40 H new ATOM 0 HE2 LYS A 37 15.089 28.127 25.460 1.00 30.22 H new ATOM 0 HE3 LYS A 37 13.820 29.305 25.190 1.00 30.22 H new ATOM 0 HZ1 LYS A 37 12.760 28.542 26.960 1.00 61.23 H new ATOM 0 HZ2 LYS A 37 12.664 26.985 26.290 1.00 61.23 H new ATOM 0 HZ3 LYS A 37 14.004 27.420 27.238 1.00 61.23 H new ATOM 605 N GLY A 38 17.969 25.240 20.380 1.00 71.33 N ATOM 606 CA GLY A 38 19.001 25.639 19.442 1.00 71.41 C ATOM 607 C GLY A 38 19.300 24.563 18.417 1.00 24.25 C ATOM 608 O GLY A 38 19.257 23.374 18.724 1.00 74.25 O ATOM 0 H GLY A 38 17.668 24.269 20.298 1.00 71.33 H new ATOM 0 HA2 GLY A 38 18.689 26.549 18.929 1.00 71.41 H new ATOM 0 HA3 GLY A 38 19.913 25.878 19.990 1.00 71.41 H new ATOM 612 N ALA A 39 19.603 24.983 17.192 1.00 21.43 N ATOM 613 CA ALA A 39 19.910 24.048 16.118 1.00 50.30 C ATOM 614 C ALA A 39 21.303 23.451 16.292 1.00 15.21 C ATOM 615 O ALA A 39 21.490 22.242 16.159 1.00 51.21 O ATOM 616 CB ALA A 39 19.794 24.738 14.768 1.00 4.43 C ATOM 0 H ALA A 39 19.642 25.965 16.920 1.00 21.43 H new ATOM 0 HA ALA A 39 19.186 23.234 16.160 1.00 50.30 H new ATOM 0 HB1 ALA A 39 20.026 24.027 13.975 1.00 4.43 H new ATOM 0 HB2 ALA A 39 18.778 25.110 14.636 1.00 4.43 H new ATOM 0 HB3 ALA A 39 20.494 25.572 14.724 1.00 4.43 H new ATOM 622 N ASN A 40 22.275 24.306 16.589 1.00 71.32 N ATOM 623 CA ASN A 40 23.651 23.862 16.779 1.00 53.24 C ATOM 624 C ASN A 40 23.856 23.314 18.189 1.00 24.01 C ATOM 625 O ASN A 40 24.672 22.418 18.405 1.00 30.14 O ATOM 626 CB ASN A 40 24.622 25.017 16.523 1.00 74.41 C ATOM 627 CG ASN A 40 24.264 26.259 17.316 1.00 64.53 C ATOM 628 OD1 ASN A 40 23.328 27.044 16.796 1.00 2.05 O flip ATOM 629 ND2 ASN A 40 24.822 26.510 18.385 1.00 13.23 N flip ATOM 0 H ASN A 40 22.136 25.310 16.703 1.00 71.32 H new ATOM 0 HA ASN A 40 23.850 23.063 16.065 1.00 53.24 H new ATOM 0 HB2 ASN A 40 25.633 24.703 16.782 1.00 74.41 H new ATOM 0 HB3 ASN A 40 24.625 25.256 15.460 1.00 74.41 H new ATOM 0 HD21 ASN A 40 25.536 25.879 18.748 1.00 13.23 H new ATOM 0 HD22 ASN A 40 24.570 27.349 18.907 1.00 13.23 H new ATOM 636 N GLU A 41 23.108 23.858 19.144 1.00 14.14 N ATOM 637 CA GLU A 41 23.208 23.423 20.532 1.00 63.25 C ATOM 638 C GLU A 41 22.855 21.945 20.666 1.00 74.23 C ATOM 639 O GLU A 41 23.332 21.262 21.571 1.00 41.15 O ATOM 640 CB GLU A 41 22.286 24.262 21.420 1.00 64.14 C ATOM 641 CG GLU A 41 22.870 25.613 21.798 1.00 74.22 C ATOM 642 CD GLU A 41 21.824 26.712 21.827 1.00 13.51 C ATOM 643 OE1 GLU A 41 21.548 27.295 20.757 1.00 4.15 O ATOM 644 OE2 GLU A 41 21.284 26.989 22.917 1.00 34.41 O ATOM 0 H GLU A 41 22.427 24.600 18.982 1.00 14.14 H new ATOM 0 HA GLU A 41 24.239 23.563 20.856 1.00 63.25 H new ATOM 0 HB2 GLU A 41 21.339 24.417 20.903 1.00 64.14 H new ATOM 0 HB3 GLU A 41 22.065 23.704 22.330 1.00 64.14 H new ATOM 0 HG2 GLU A 41 23.342 25.540 22.778 1.00 74.22 H new ATOM 0 HG3 GLU A 41 23.652 25.879 21.087 1.00 74.22 H new ATOM 651 N ALA A 42 22.015 21.459 19.758 1.00 13.00 N ATOM 652 CA ALA A 42 21.598 20.062 19.774 1.00 23.42 C ATOM 653 C ALA A 42 22.804 19.129 19.743 1.00 30.44 C ATOM 654 O ALA A 42 22.734 17.991 20.206 1.00 15.14 O ATOM 655 CB ALA A 42 20.674 19.774 18.598 1.00 65.34 C ATOM 0 H ALA A 42 21.610 22.012 19.002 1.00 13.00 H new ATOM 0 HA ALA A 42 21.055 19.880 20.702 1.00 23.42 H new ATOM 0 HB1 ALA A 42 20.370 18.727 18.622 1.00 65.34 H new ATOM 0 HB2 ALA A 42 19.791 20.410 18.665 1.00 65.34 H new ATOM 0 HB3 ALA A 42 21.199 19.978 17.665 1.00 65.34 H new ATOM 661 N THR A 43 23.910 19.618 19.192 1.00 63.35 N ATOM 662 CA THR A 43 25.131 18.827 19.099 1.00 2.03 C ATOM 663 C THR A 43 25.860 18.780 20.438 1.00 32.34 C ATOM 664 O THR A 43 26.466 17.769 20.791 1.00 13.42 O ATOM 665 CB THR A 43 26.085 19.390 18.028 1.00 31.13 C ATOM 666 OG1 THR A 43 26.667 20.616 18.487 1.00 2.41 O ATOM 667 CG2 THR A 43 25.347 19.632 16.720 1.00 2.44 C ATOM 0 H THR A 43 23.986 20.558 18.803 1.00 63.35 H new ATOM 0 HA THR A 43 24.832 17.818 18.815 1.00 2.03 H new ATOM 0 HB THR A 43 26.873 18.657 17.852 1.00 31.13 H new ATOM 0 HG1 THR A 43 25.956 21.258 18.694 1.00 2.41 H new ATOM 0 HG21 THR A 43 26.041 20.029 15.979 1.00 2.44 H new ATOM 0 HG22 THR A 43 24.929 18.692 16.359 1.00 2.44 H new ATOM 0 HG23 THR A 43 24.542 20.348 16.884 1.00 2.44 H new ATOM 675 N LYS A 44 25.796 19.881 21.180 1.00 1.45 N ATOM 676 CA LYS A 44 26.447 19.966 22.481 1.00 52.44 C ATOM 677 C LYS A 44 25.904 18.904 23.432 1.00 14.55 C ATOM 678 O LYS A 44 26.666 18.203 24.098 1.00 35.04 O ATOM 679 CB LYS A 44 26.247 21.357 23.085 1.00 41.15 C ATOM 680 CG LYS A 44 27.458 22.263 22.941 1.00 32.44 C ATOM 681 CD LYS A 44 28.005 22.681 24.296 1.00 23.44 C ATOM 682 CE LYS A 44 27.410 24.004 24.753 1.00 2.31 C ATOM 683 NZ LYS A 44 28.349 25.139 24.538 1.00 41.54 N ATOM 0 H LYS A 44 25.299 20.727 20.901 1.00 1.45 H new ATOM 0 HA LYS A 44 27.513 19.789 22.338 1.00 52.44 H new ATOM 0 HB2 LYS A 44 25.390 21.832 22.607 1.00 41.15 H new ATOM 0 HB3 LYS A 44 26.005 21.253 24.143 1.00 41.15 H new ATOM 0 HG2 LYS A 44 28.235 21.747 22.377 1.00 32.44 H new ATOM 0 HG3 LYS A 44 27.185 23.149 22.369 1.00 32.44 H new ATOM 0 HD2 LYS A 44 27.785 21.908 25.033 1.00 23.44 H new ATOM 0 HD3 LYS A 44 29.090 22.769 24.240 1.00 23.44 H new ATOM 0 HE2 LYS A 44 26.483 24.192 24.211 1.00 2.31 H new ATOM 0 HE3 LYS A 44 27.153 23.941 25.810 1.00 2.31 H new ATOM 0 HZ1 LYS A 44 27.906 26.022 24.862 1.00 41.54 H new ATOM 0 HZ2 LYS A 44 29.224 24.973 25.076 1.00 41.54 H new ATOM 0 HZ3 LYS A 44 28.574 25.216 23.526 1.00 41.54 H new ATOM 697 N THR A 45 24.580 18.789 23.489 1.00 11.42 N ATOM 698 CA THR A 45 23.935 17.813 24.357 1.00 33.23 C ATOM 699 C THR A 45 24.509 16.417 24.138 1.00 62.52 C ATOM 700 O THR A 45 24.785 15.692 25.094 1.00 55.23 O ATOM 701 CB THR A 45 22.413 17.771 24.123 1.00 24.33 C ATOM 702 OG1 THR A 45 22.122 18.049 22.748 1.00 71.34 O ATOM 703 CG2 THR A 45 21.701 18.780 25.011 1.00 72.41 C ATOM 0 H THR A 45 23.934 19.360 22.944 1.00 11.42 H new ATOM 0 HA THR A 45 24.129 18.127 25.383 1.00 33.23 H new ATOM 0 HB THR A 45 22.056 16.773 24.376 1.00 24.33 H new ATOM 0 HG1 THR A 45 22.807 17.639 22.179 1.00 71.34 H new ATOM 0 HG21 THR A 45 20.628 18.732 24.828 1.00 72.41 H new ATOM 0 HG22 THR A 45 21.902 18.549 26.057 1.00 72.41 H new ATOM 0 HG23 THR A 45 22.063 19.783 24.785 1.00 72.41 H new ATOM 711 N LEU A 46 24.688 16.049 22.875 1.00 14.42 N ATOM 712 CA LEU A 46 25.231 14.738 22.530 1.00 64.01 C ATOM 713 C LEU A 46 26.737 14.694 22.771 1.00 54.54 C ATOM 714 O LEU A 46 27.270 13.689 23.242 1.00 72.11 O ATOM 715 CB LEU A 46 24.927 14.407 21.068 1.00 65.13 C ATOM 716 CG LEU A 46 25.955 13.531 20.351 1.00 22.42 C ATOM 717 CD1 LEU A 46 26.099 12.191 21.055 1.00 61.50 C ATOM 718 CD2 LEU A 46 25.561 13.330 18.895 1.00 24.44 C ATOM 0 H LEU A 46 24.466 16.638 22.073 1.00 14.42 H new ATOM 0 HA LEU A 46 24.756 13.994 23.170 1.00 64.01 H new ATOM 0 HB2 LEU A 46 23.959 13.908 21.023 1.00 65.13 H new ATOM 0 HB3 LEU A 46 24.829 15.342 20.517 1.00 65.13 H new ATOM 0 HG LEU A 46 26.919 14.039 20.380 1.00 22.42 H new ATOM 0 HD11 LEU A 46 26.835 11.582 20.530 1.00 61.50 H new ATOM 0 HD12 LEU A 46 26.428 12.353 22.082 1.00 61.50 H new ATOM 0 HD13 LEU A 46 25.138 11.677 21.058 1.00 61.50 H new ATOM 0 HD21 LEU A 46 26.304 12.704 18.400 1.00 24.44 H new ATOM 0 HD22 LEU A 46 24.586 12.844 18.846 1.00 24.44 H new ATOM 0 HD23 LEU A 46 25.510 14.297 18.395 1.00 24.44 H new ATOM 730 N ASN A 47 27.416 15.789 22.448 1.00 51.34 N ATOM 731 CA ASN A 47 28.861 15.874 22.631 1.00 34.31 C ATOM 732 C ASN A 47 29.244 15.573 24.077 1.00 22.21 C ATOM 733 O ASN A 47 30.358 15.126 24.354 1.00 70.43 O ATOM 734 CB ASN A 47 29.364 17.264 22.237 1.00 53.51 C ATOM 735 CG ASN A 47 30.550 17.203 21.294 1.00 11.11 C ATOM 736 OD1 ASN A 47 31.264 16.201 21.241 1.00 45.41 O ATOM 737 ND2 ASN A 47 30.765 18.277 20.543 1.00 63.50 N ATOM 0 H ASN A 47 26.990 16.630 22.058 1.00 51.34 H new ATOM 0 HA ASN A 47 29.329 15.129 21.987 1.00 34.31 H new ATOM 0 HB2 ASN A 47 28.555 17.820 21.763 1.00 53.51 H new ATOM 0 HB3 ASN A 47 29.645 17.814 23.135 1.00 53.51 H new ATOM 0 HD21 ASN A 47 31.548 18.294 19.889 1.00 63.50 H new ATOM 0 HD22 ASN A 47 30.147 19.085 20.620 1.00 63.50 H new ATOM 744 N ARG A 48 28.315 15.821 24.994 1.00 72.22 N ATOM 745 CA ARG A 48 28.555 15.577 26.411 1.00 0.31 C ATOM 746 C ARG A 48 28.200 14.141 26.784 1.00 14.15 C ATOM 747 O ARG A 48 28.720 13.594 27.756 1.00 12.44 O ATOM 748 CB ARG A 48 27.741 16.553 27.263 1.00 41.22 C ATOM 749 CG ARG A 48 28.585 17.624 27.934 1.00 74.42 C ATOM 750 CD ARG A 48 27.849 18.263 29.102 1.00 34.43 C ATOM 751 NE ARG A 48 28.054 19.708 29.154 1.00 65.32 N ATOM 752 CZ ARG A 48 27.756 20.455 30.211 1.00 74.22 C ATOM 753 NH1 ARG A 48 27.241 19.897 31.298 1.00 14.54 N ATOM 754 NH2 ARG A 48 27.973 21.764 30.182 1.00 30.30 N ATOM 0 H ARG A 48 27.389 16.191 24.781 1.00 72.22 H new ATOM 0 HA ARG A 48 29.616 15.732 26.606 1.00 0.31 H new ATOM 0 HB2 ARG A 48 26.992 17.034 26.634 1.00 41.22 H new ATOM 0 HB3 ARG A 48 27.203 15.993 28.028 1.00 41.22 H new ATOM 0 HG2 ARG A 48 29.518 17.185 28.287 1.00 74.42 H new ATOM 0 HG3 ARG A 48 28.849 18.391 27.205 1.00 74.42 H new ATOM 0 HD2 ARG A 48 26.783 18.051 29.018 1.00 34.43 H new ATOM 0 HD3 ARG A 48 28.191 17.815 30.035 1.00 34.43 H new ATOM 0 HE ARG A 48 28.448 20.169 28.334 1.00 65.32 H new ATOM 0 HH11 ARG A 48 27.073 18.891 31.324 1.00 14.54 H new ATOM 0 HH12 ARG A 48 27.013 20.473 32.108 1.00 14.54 H new ATOM 0 HH21 ARG A 48 28.369 22.197 29.348 1.00 30.30 H new ATOM 0 HH22 ARG A 48 27.744 22.337 30.994 1.00 30.30 H new ATOM 768 N GLY A 49 27.310 13.535 26.003 1.00 75.42 N ATOM 769 CA GLY A 49 26.900 12.168 26.268 1.00 71.43 C ATOM 770 C GLY A 49 25.626 12.093 27.087 1.00 71.22 C ATOM 771 O GLY A 49 25.504 11.254 27.981 1.00 61.03 O ATOM 0 H GLY A 49 26.866 13.966 25.192 1.00 75.42 H new ATOM 0 HA2 GLY A 49 26.752 11.647 25.322 1.00 71.43 H new ATOM 0 HA3 GLY A 49 27.699 11.648 26.796 1.00 71.43 H new ATOM 775 N ILE A 50 24.678 12.973 26.785 1.00 75.14 N ATOM 776 CA ILE A 50 23.407 13.002 27.501 1.00 3.40 C ATOM 777 C ILE A 50 22.260 13.378 26.569 1.00 24.52 C ATOM 778 O ILE A 50 21.196 13.804 27.019 1.00 23.32 O ATOM 779 CB ILE A 50 23.447 13.997 28.676 1.00 12.13 C ATOM 780 CG1 ILE A 50 23.823 15.393 28.178 1.00 63.44 C ATOM 781 CG2 ILE A 50 24.430 13.524 29.736 1.00 43.55 C ATOM 782 CD1 ILE A 50 22.634 16.214 27.727 1.00 4.51 C ATOM 0 H ILE A 50 24.765 13.675 26.050 1.00 75.14 H new ATOM 0 HA ILE A 50 23.240 11.998 27.891 1.00 3.40 H new ATOM 0 HB ILE A 50 22.455 14.047 29.125 1.00 12.13 H new ATOM 0 HG12 ILE A 50 24.342 15.927 28.974 1.00 63.44 H new ATOM 0 HG13 ILE A 50 24.524 15.298 27.349 1.00 63.44 H new ATOM 0 HG21 ILE A 50 24.448 14.237 30.560 1.00 43.55 H new ATOM 0 HG22 ILE A 50 24.122 12.547 30.108 1.00 43.55 H new ATOM 0 HG23 ILE A 50 25.426 13.448 29.300 1.00 43.55 H new ATOM 0 HD11 ILE A 50 22.975 17.192 27.387 1.00 4.51 H new ATOM 0 HD12 ILE A 50 22.127 15.702 26.909 1.00 4.51 H new ATOM 0 HD13 ILE A 50 21.942 16.340 28.560 1.00 4.51 H new ATOM 794 N SER A 51 22.483 13.218 25.269 1.00 43.11 N ATOM 795 CA SER A 51 21.470 13.542 24.273 1.00 34.41 C ATOM 796 C SER A 51 20.526 12.364 24.054 1.00 54.31 C ATOM 797 O SER A 51 20.847 11.427 23.323 1.00 33.24 O ATOM 798 CB SER A 51 22.131 13.934 22.950 1.00 32.33 C ATOM 799 OG SER A 51 21.205 13.869 21.879 1.00 24.40 O ATOM 0 H SER A 51 23.358 12.865 24.881 1.00 43.11 H new ATOM 0 HA SER A 51 20.889 14.386 24.644 1.00 34.41 H new ATOM 0 HB2 SER A 51 22.534 14.944 23.026 1.00 32.33 H new ATOM 0 HB3 SER A 51 22.972 13.270 22.749 1.00 32.33 H new ATOM 0 HG SER A 51 21.679 13.648 21.050 1.00 24.40 H new ATOM 805 N GLU A 52 19.363 12.418 24.694 1.00 35.15 N ATOM 806 CA GLU A 52 18.372 11.355 24.569 1.00 61.23 C ATOM 807 C GLU A 52 17.820 11.289 23.148 1.00 75.13 C ATOM 808 O GLU A 52 17.725 10.214 22.556 1.00 61.44 O ATOM 809 CB GLU A 52 17.230 11.573 25.564 1.00 15.24 C ATOM 810 CG GLU A 52 16.514 10.291 25.959 1.00 64.00 C ATOM 811 CD GLU A 52 17.449 9.265 26.568 1.00 51.14 C ATOM 812 OE1 GLU A 52 18.579 9.642 26.943 1.00 5.20 O ATOM 813 OE2 GLU A 52 17.052 8.086 26.670 1.00 44.10 O ATOM 0 H GLU A 52 19.083 13.186 25.304 1.00 35.15 H new ATOM 0 HA GLU A 52 18.862 10.408 24.793 1.00 61.23 H new ATOM 0 HB2 GLU A 52 17.627 12.049 26.461 1.00 15.24 H new ATOM 0 HB3 GLU A 52 16.507 12.264 25.129 1.00 15.24 H new ATOM 0 HG2 GLU A 52 15.724 10.526 26.672 1.00 64.00 H new ATOM 0 HG3 GLU A 52 16.033 9.862 25.080 1.00 64.00 H new ATOM 820 N PHE A 53 17.455 12.447 22.608 1.00 71.41 N ATOM 821 CA PHE A 53 16.910 12.522 21.258 1.00 13.14 C ATOM 822 C PHE A 53 16.703 13.974 20.834 1.00 74.15 C ATOM 823 O PHE A 53 16.903 14.897 21.625 1.00 51.33 O ATOM 824 CB PHE A 53 15.584 11.762 21.177 1.00 51.22 C ATOM 825 CG PHE A 53 14.474 12.406 21.958 1.00 64.13 C ATOM 826 CD1 PHE A 53 14.358 12.197 23.323 1.00 62.05 C ATOM 827 CD2 PHE A 53 13.549 13.222 21.328 1.00 20.20 C ATOM 828 CE1 PHE A 53 13.338 12.788 24.043 1.00 64.54 C ATOM 829 CE2 PHE A 53 12.527 13.816 22.044 1.00 30.32 C ATOM 830 CZ PHE A 53 12.422 13.600 23.404 1.00 52.04 C ATOM 0 H PHE A 53 17.527 13.346 23.085 1.00 71.41 H new ATOM 0 HA PHE A 53 17.627 12.062 20.578 1.00 13.14 H new ATOM 0 HB2 PHE A 53 15.283 11.682 20.132 1.00 51.22 H new ATOM 0 HB3 PHE A 53 15.734 10.747 21.544 1.00 51.22 H new ATOM 0 HD1 PHE A 53 15.073 11.565 23.829 1.00 62.05 H new ATOM 0 HD2 PHE A 53 13.627 13.396 20.265 1.00 20.20 H new ATOM 0 HE1 PHE A 53 13.257 12.615 25.106 1.00 64.54 H new ATOM 0 HE2 PHE A 53 11.811 14.449 21.540 1.00 30.32 H new ATOM 0 HZ PHE A 53 11.626 14.065 23.966 1.00 52.04 H new ATOM 840 N ILE A 54 16.302 14.167 19.583 1.00 35.50 N ATOM 841 CA ILE A 54 16.067 15.506 19.055 1.00 12.55 C ATOM 842 C ILE A 54 14.890 15.516 18.085 1.00 71.02 C ATOM 843 O ILE A 54 14.697 14.575 17.316 1.00 13.41 O ATOM 844 CB ILE A 54 17.314 16.052 18.336 1.00 23.43 C ATOM 845 CG1 ILE A 54 18.508 16.089 19.292 1.00 54.13 C ATOM 846 CG2 ILE A 54 17.036 17.440 17.776 1.00 51.41 C ATOM 847 CD1 ILE A 54 19.288 14.793 19.333 1.00 25.32 C ATOM 0 H ILE A 54 16.133 13.414 18.916 1.00 35.50 H new ATOM 0 HA ILE A 54 15.838 16.146 19.907 1.00 12.55 H new ATOM 0 HB ILE A 54 17.557 15.387 17.507 1.00 23.43 H new ATOM 0 HG12 ILE A 54 19.176 16.897 18.995 1.00 54.13 H new ATOM 0 HG13 ILE A 54 18.153 16.322 20.296 1.00 54.13 H new ATOM 0 HG21 ILE A 54 17.927 17.813 17.270 1.00 51.41 H new ATOM 0 HG22 ILE A 54 16.211 17.387 17.066 1.00 51.41 H new ATOM 0 HG23 ILE A 54 16.771 18.115 18.590 1.00 51.41 H new ATOM 0 HD11 ILE A 54 20.120 14.891 20.031 1.00 25.32 H new ATOM 0 HD12 ILE A 54 18.634 13.985 19.659 1.00 25.32 H new ATOM 0 HD13 ILE A 54 19.673 14.569 18.338 1.00 25.32 H new ATOM 859 N VAL A 55 14.105 16.588 18.128 1.00 51.11 N ATOM 860 CA VAL A 55 12.947 16.723 17.252 1.00 5.54 C ATOM 861 C VAL A 55 12.987 18.042 16.489 1.00 31.32 C ATOM 862 O VAL A 55 13.546 19.029 16.965 1.00 25.23 O ATOM 863 CB VAL A 55 11.630 16.640 18.045 1.00 60.34 C ATOM 864 CG1 VAL A 55 11.481 17.846 18.960 1.00 4.23 C ATOM 865 CG2 VAL A 55 10.445 16.529 17.098 1.00 74.44 C ATOM 0 H VAL A 55 14.250 17.375 18.760 1.00 51.11 H new ATOM 0 HA VAL A 55 12.987 15.895 16.544 1.00 5.54 H new ATOM 0 HB VAL A 55 11.655 15.744 18.666 1.00 60.34 H new ATOM 0 HG11 VAL A 55 10.544 17.770 19.512 1.00 4.23 H new ATOM 0 HG12 VAL A 55 12.315 17.876 19.662 1.00 4.23 H new ATOM 0 HG13 VAL A 55 11.477 18.758 18.363 1.00 4.23 H new ATOM 0 HG21 VAL A 55 9.522 16.471 17.675 1.00 74.44 H new ATOM 0 HG22 VAL A 55 10.414 17.405 16.450 1.00 74.44 H new ATOM 0 HG23 VAL A 55 10.549 15.631 16.489 1.00 74.44 H new ATOM 875 N MET A 56 12.389 18.051 15.302 1.00 31.22 N ATOM 876 CA MET A 56 12.354 19.250 14.473 1.00 35.44 C ATOM 877 C MET A 56 11.149 19.229 13.537 1.00 63.10 C ATOM 878 O MET A 56 10.371 18.276 13.534 1.00 22.34 O ATOM 879 CB MET A 56 13.643 19.373 13.661 1.00 43.54 C ATOM 880 CG MET A 56 13.727 18.395 12.500 1.00 54.14 C ATOM 881 SD MET A 56 15.343 17.606 12.372 1.00 53.03 S ATOM 882 CE MET A 56 15.211 16.825 10.765 1.00 45.40 C ATOM 0 H MET A 56 11.922 17.242 14.893 1.00 31.22 H new ATOM 0 HA MET A 56 12.265 20.114 15.132 1.00 35.44 H new ATOM 0 HB2 MET A 56 13.724 20.389 13.276 1.00 43.54 H new ATOM 0 HB3 MET A 56 14.495 19.214 14.322 1.00 43.54 H new ATOM 0 HG2 MET A 56 12.961 17.629 12.620 1.00 54.14 H new ATOM 0 HG3 MET A 56 13.509 18.921 11.570 1.00 54.14 H new ATOM 0 HE1 MET A 56 16.151 16.941 10.226 1.00 45.40 H new ATOM 0 HE2 MET A 56 14.994 15.764 10.893 1.00 45.40 H new ATOM 0 HE3 MET A 56 14.407 17.294 10.198 1.00 45.40 H new ATOM 892 N ALA A 57 11.004 20.285 12.744 1.00 22.43 N ATOM 893 CA ALA A 57 9.896 20.386 11.802 1.00 21.13 C ATOM 894 C ALA A 57 10.303 19.886 10.420 1.00 4.12 C ATOM 895 O ALA A 57 11.368 20.237 9.911 1.00 72.13 O ATOM 896 CB ALA A 57 9.401 21.823 11.721 1.00 31.52 C ATOM 0 H ALA A 57 11.640 21.083 12.735 1.00 22.43 H new ATOM 0 HA ALA A 57 9.085 19.754 12.164 1.00 21.13 H new ATOM 0 HB1 ALA A 57 8.574 21.884 11.014 1.00 31.52 H new ATOM 0 HB2 ALA A 57 9.062 22.147 12.705 1.00 31.52 H new ATOM 0 HB3 ALA A 57 10.213 22.469 11.386 1.00 31.52 H new ATOM 902 N ALA A 58 9.449 19.065 9.817 1.00 43.41 N ATOM 903 CA ALA A 58 9.720 18.518 8.494 1.00 31.10 C ATOM 904 C ALA A 58 9.992 19.630 7.485 1.00 41.45 C ATOM 905 O ALA A 58 10.685 19.422 6.489 1.00 40.31 O ATOM 906 CB ALA A 58 8.556 17.656 8.030 1.00 75.42 C ATOM 0 H ALA A 58 8.564 18.764 10.224 1.00 43.41 H new ATOM 0 HA ALA A 58 10.613 17.897 8.561 1.00 31.10 H new ATOM 0 HB1 ALA A 58 8.773 17.254 7.040 1.00 75.42 H new ATOM 0 HB2 ALA A 58 8.410 16.834 8.731 1.00 75.42 H new ATOM 0 HB3 ALA A 58 7.650 18.261 7.986 1.00 75.42 H new ATOM 912 N ASP A 59 9.442 20.809 7.750 1.00 31.43 N ATOM 913 CA ASP A 59 9.626 21.955 6.866 1.00 14.33 C ATOM 914 C ASP A 59 10.314 23.102 7.599 1.00 0.40 C ATOM 915 O ASP A 59 10.027 24.272 7.350 1.00 1.24 O ATOM 916 CB ASP A 59 8.278 22.422 6.314 1.00 72.45 C ATOM 917 CG ASP A 59 7.542 21.321 5.574 1.00 63.33 C ATOM 918 OD1 ASP A 59 8.094 20.804 4.580 1.00 52.21 O ATOM 919 OD2 ASP A 59 6.416 20.978 5.990 1.00 1.34 O ATOM 0 H ASP A 59 8.865 20.997 8.570 1.00 31.43 H new ATOM 0 HA ASP A 59 10.262 21.644 6.037 1.00 14.33 H new ATOM 0 HB2 ASP A 59 7.658 22.782 7.135 1.00 72.45 H new ATOM 0 HB3 ASP A 59 8.437 23.265 5.641 1.00 72.45 H new ATOM 924 N ALA A 60 11.224 22.757 8.503 1.00 45.13 N ATOM 925 CA ALA A 60 11.955 23.758 9.271 1.00 61.13 C ATOM 926 C ALA A 60 13.293 24.084 8.616 1.00 51.31 C ATOM 927 O ALA A 60 14.066 23.185 8.283 1.00 22.22 O ATOM 928 CB ALA A 60 12.168 23.277 10.698 1.00 71.23 C ATOM 0 H ALA A 60 11.473 21.792 8.722 1.00 45.13 H new ATOM 0 HA ALA A 60 11.358 24.670 9.292 1.00 61.13 H new ATOM 0 HB1 ALA A 60 12.715 24.034 11.259 1.00 71.23 H new ATOM 0 HB2 ALA A 60 11.202 23.102 11.171 1.00 71.23 H new ATOM 0 HB3 ALA A 60 12.740 22.349 10.688 1.00 71.23 H new ATOM 934 N GLU A 61 13.560 25.373 8.434 1.00 12.04 N ATOM 935 CA GLU A 61 14.806 25.815 7.817 1.00 35.35 C ATOM 936 C GLU A 61 15.567 26.758 8.744 1.00 72.20 C ATOM 937 O GLU A 61 15.004 27.357 9.661 1.00 0.44 O ATOM 938 CB GLU A 61 14.520 26.513 6.485 1.00 41.44 C ATOM 939 CG GLU A 61 13.210 27.281 6.467 1.00 72.12 C ATOM 940 CD GLU A 61 13.004 28.055 5.180 1.00 31.14 C ATOM 941 OE1 GLU A 61 13.819 28.955 4.892 1.00 23.14 O ATOM 942 OE2 GLU A 61 12.027 27.759 4.460 1.00 61.45 O ATOM 0 H GLU A 61 12.931 26.129 8.704 1.00 12.04 H new ATOM 0 HA GLU A 61 15.424 24.936 7.634 1.00 35.35 H new ATOM 0 HB2 GLU A 61 15.337 27.200 6.262 1.00 41.44 H new ATOM 0 HB3 GLU A 61 14.505 25.767 5.690 1.00 41.44 H new ATOM 0 HG2 GLU A 61 12.383 26.584 6.604 1.00 72.12 H new ATOM 0 HG3 GLU A 61 13.187 27.972 7.310 1.00 72.12 H new ATOM 949 N PRO A 62 16.878 26.894 8.501 1.00 42.31 N ATOM 950 CA PRO A 62 17.560 26.185 7.413 1.00 63.40 C ATOM 951 C PRO A 62 17.663 24.686 7.673 1.00 32.31 C ATOM 952 O PRO A 62 17.889 24.256 8.804 1.00 50.55 O ATOM 953 CB PRO A 62 18.952 26.821 7.393 1.00 43.00 C ATOM 954 CG PRO A 62 19.156 27.330 8.779 1.00 42.42 C ATOM 955 CD PRO A 62 17.799 27.747 9.271 1.00 23.53 C ATOM 0 HA PRO A 62 17.022 26.273 6.469 1.00 63.40 H new ATOM 0 HB2 PRO A 62 19.716 26.092 7.122 1.00 43.00 H new ATOM 0 HB3 PRO A 62 19.008 27.628 6.663 1.00 43.00 H new ATOM 0 HG2 PRO A 62 19.583 26.558 9.419 1.00 42.42 H new ATOM 0 HG3 PRO A 62 19.850 28.171 8.788 1.00 42.42 H new ATOM 0 HD2 PRO A 62 17.694 27.585 10.344 1.00 23.53 H new ATOM 0 HD3 PRO A 62 17.613 28.805 9.088 1.00 23.53 H new ATOM 963 N LEU A 63 17.495 23.896 6.619 1.00 13.22 N ATOM 964 CA LEU A 63 17.569 22.443 6.732 1.00 60.10 C ATOM 965 C LEU A 63 19.002 21.955 6.549 1.00 23.13 C ATOM 966 O LEU A 63 19.382 20.906 7.069 1.00 23.34 O ATOM 967 CB LEU A 63 16.658 21.783 5.696 1.00 33.13 C ATOM 968 CG LEU A 63 15.858 20.572 6.179 1.00 23.22 C ATOM 969 CD1 LEU A 63 14.365 20.839 6.063 1.00 14.41 C ATOM 970 CD2 LEU A 63 16.243 19.329 5.389 1.00 65.53 C ATOM 0 H LEU A 63 17.307 24.236 5.676 1.00 13.22 H new ATOM 0 HA LEU A 63 17.234 22.164 7.731 1.00 60.10 H new ATOM 0 HB2 LEU A 63 15.957 22.533 5.328 1.00 33.13 H new ATOM 0 HB3 LEU A 63 17.270 21.474 4.848 1.00 33.13 H new ATOM 0 HG LEU A 63 16.095 20.398 7.229 1.00 23.22 H new ATOM 0 HD11 LEU A 63 13.811 19.967 6.411 1.00 14.41 H new ATOM 0 HD12 LEU A 63 14.101 21.703 6.673 1.00 14.41 H new ATOM 0 HD13 LEU A 63 14.111 21.038 5.022 1.00 14.41 H new ATOM 0 HD21 LEU A 63 15.664 18.477 5.746 1.00 65.53 H new ATOM 0 HD22 LEU A 63 16.035 19.491 4.331 1.00 65.53 H new ATOM 0 HD23 LEU A 63 17.306 19.127 5.523 1.00 65.53 H new ATOM 982 N GLU A 64 19.794 22.725 5.809 1.00 41.31 N ATOM 983 CA GLU A 64 21.187 22.371 5.560 1.00 15.04 C ATOM 984 C GLU A 64 21.935 22.149 6.871 1.00 45.22 C ATOM 985 O GLU A 64 22.610 21.135 7.048 1.00 70.10 O ATOM 986 CB GLU A 64 21.877 23.467 4.745 1.00 60.30 C ATOM 987 CG GLU A 64 22.400 22.989 3.401 1.00 33.44 C ATOM 988 CD GLU A 64 22.314 24.057 2.328 1.00 1.24 C ATOM 989 OE1 GLU A 64 22.190 25.247 2.685 1.00 1.21 O ATOM 990 OE2 GLU A 64 22.371 23.703 1.132 1.00 44.41 O ATOM 0 H GLU A 64 19.495 23.597 5.372 1.00 41.31 H new ATOM 0 HA GLU A 64 21.203 21.441 4.991 1.00 15.04 H new ATOM 0 HB2 GLU A 64 21.174 24.284 4.582 1.00 60.30 H new ATOM 0 HB3 GLU A 64 22.706 23.871 5.325 1.00 60.30 H new ATOM 0 HG2 GLU A 64 23.437 22.672 3.511 1.00 33.44 H new ATOM 0 HG3 GLU A 64 21.832 22.115 3.084 1.00 33.44 H new ATOM 997 N ILE A 65 21.811 23.106 7.785 1.00 4.33 N ATOM 998 CA ILE A 65 22.475 23.015 9.079 1.00 55.10 C ATOM 999 C ILE A 65 22.017 21.779 9.846 1.00 64.54 C ATOM 1000 O ILE A 65 22.782 21.194 10.614 1.00 65.14 O ATOM 1001 CB ILE A 65 22.208 24.265 9.938 1.00 24.25 C ATOM 1002 CG1 ILE A 65 22.620 25.529 9.178 1.00 74.50 C ATOM 1003 CG2 ILE A 65 22.954 24.169 11.260 1.00 65.00 C ATOM 1004 CD1 ILE A 65 22.158 26.808 9.840 1.00 22.43 C ATOM 0 H ILE A 65 21.257 23.952 7.653 1.00 4.33 H new ATOM 0 HA ILE A 65 23.544 22.942 8.880 1.00 55.10 H new ATOM 0 HB ILE A 65 21.140 24.322 10.150 1.00 24.25 H new ATOM 0 HG12 ILE A 65 23.706 25.549 9.084 1.00 74.50 H new ATOM 0 HG13 ILE A 65 22.214 25.485 8.168 1.00 74.50 H new ATOM 0 HG21 ILE A 65 22.755 25.060 11.856 1.00 65.00 H new ATOM 0 HG22 ILE A 65 22.618 23.286 11.804 1.00 65.00 H new ATOM 0 HG23 ILE A 65 24.024 24.092 11.069 1.00 65.00 H new ATOM 0 HD11 ILE A 65 22.485 27.663 9.248 1.00 22.43 H new ATOM 0 HD12 ILE A 65 21.070 26.809 9.910 1.00 22.43 H new ATOM 0 HD13 ILE A 65 22.586 26.875 10.840 1.00 22.43 H new ATOM 1016 N ILE A 66 20.766 21.385 9.632 1.00 23.12 N ATOM 1017 CA ILE A 66 20.209 20.217 10.301 1.00 31.52 C ATOM 1018 C ILE A 66 20.789 18.927 9.730 1.00 32.43 C ATOM 1019 O ILE A 66 20.787 17.888 10.391 1.00 10.01 O ATOM 1020 CB ILE A 66 18.674 20.175 10.175 1.00 23.53 C ATOM 1021 CG1 ILE A 66 18.068 21.509 10.619 1.00 1.32 C ATOM 1022 CG2 ILE A 66 18.106 19.029 10.997 1.00 61.41 C ATOM 1023 CD1 ILE A 66 16.563 21.563 10.484 1.00 34.44 C ATOM 0 H ILE A 66 20.120 21.858 9.000 1.00 23.12 H new ATOM 0 HA ILE A 66 20.478 20.299 11.354 1.00 31.52 H new ATOM 0 HB ILE A 66 18.414 20.009 9.130 1.00 23.53 H new ATOM 0 HG12 ILE A 66 18.338 21.694 11.659 1.00 1.32 H new ATOM 0 HG13 ILE A 66 18.507 22.313 10.028 1.00 1.32 H new ATOM 0 HG21 ILE A 66 17.021 19.013 10.898 1.00 61.41 H new ATOM 0 HG22 ILE A 66 18.517 18.085 10.639 1.00 61.41 H new ATOM 0 HG23 ILE A 66 18.372 19.166 12.045 1.00 61.41 H new ATOM 0 HD11 ILE A 66 16.203 22.536 10.816 1.00 34.44 H new ATOM 0 HD12 ILE A 66 16.286 21.410 9.441 1.00 34.44 H new ATOM 0 HD13 ILE A 66 16.114 20.781 11.097 1.00 34.44 H new ATOM 1035 N LEU A 67 21.287 19.003 8.501 1.00 15.31 N ATOM 1036 CA LEU A 67 21.873 17.841 7.841 1.00 72.51 C ATOM 1037 C LEU A 67 23.228 17.496 8.450 1.00 3.44 C ATOM 1038 O LEU A 67 23.705 16.367 8.330 1.00 42.11 O ATOM 1039 CB LEU A 67 22.026 18.106 6.343 1.00 14.35 C ATOM 1040 CG LEU A 67 22.346 16.887 5.475 1.00 12.40 C ATOM 1041 CD1 LEU A 67 21.075 16.119 5.146 1.00 40.31 C ATOM 1042 CD2 LEU A 67 23.060 17.312 4.200 1.00 60.10 C ATOM 0 H LEU A 67 21.297 19.856 7.942 1.00 15.31 H new ATOM 0 HA LEU A 67 21.204 16.993 7.987 1.00 72.51 H new ATOM 0 HB2 LEU A 67 21.102 18.555 5.978 1.00 14.35 H new ATOM 0 HB3 LEU A 67 22.816 18.844 6.204 1.00 14.35 H new ATOM 0 HG LEU A 67 23.009 16.229 6.036 1.00 12.40 H new ATOM 0 HD11 LEU A 67 21.321 15.255 4.528 1.00 40.31 H new ATOM 0 HD12 LEU A 67 20.604 15.782 6.069 1.00 40.31 H new ATOM 0 HD13 LEU A 67 20.387 16.768 4.604 1.00 40.31 H new ATOM 0 HD21 LEU A 67 23.280 16.432 3.595 1.00 60.10 H new ATOM 0 HD22 LEU A 67 22.422 17.991 3.634 1.00 60.10 H new ATOM 0 HD23 LEU A 67 23.991 17.818 4.456 1.00 60.10 H new ATOM 1054 N HIS A 68 23.844 18.476 9.104 1.00 3.43 N ATOM 1055 CA HIS A 68 25.145 18.275 9.733 1.00 24.21 C ATOM 1056 C HIS A 68 25.003 17.491 11.034 1.00 2.32 C ATOM 1057 O HIS A 68 25.920 16.778 11.444 1.00 53.22 O ATOM 1058 CB HIS A 68 25.816 19.622 10.006 1.00 74.10 C ATOM 1059 CG HIS A 68 27.079 19.510 10.804 1.00 64.31 C ATOM 1060 ND1 HIS A 68 28.197 18.839 10.354 1.00 22.43 N ATOM 1061 CD2 HIS A 68 27.398 19.991 12.028 1.00 30.42 C ATOM 1062 CE1 HIS A 68 29.148 18.911 11.268 1.00 34.23 C ATOM 1063 NE2 HIS A 68 28.689 19.605 12.293 1.00 54.15 N ATOM 0 H HIS A 68 23.464 19.416 9.212 1.00 3.43 H new ATOM 0 HA HIS A 68 25.768 17.699 9.048 1.00 24.21 H new ATOM 0 HB2 HIS A 68 26.038 20.108 9.056 1.00 74.10 H new ATOM 0 HB3 HIS A 68 25.116 20.267 10.537 1.00 74.10 H new ATOM 0 HD2 HIS A 68 26.757 20.570 12.676 1.00 30.42 H new ATOM 0 HE1 HIS A 68 30.133 18.476 11.190 1.00 34.23 H new ATOM 0 HE2 HIS A 68 29.209 19.820 13.144 1.00 54.15 H new ATOM 1071 N LEU A 69 23.850 17.628 11.679 1.00 2.01 N ATOM 1072 CA LEU A 69 23.588 16.932 12.934 1.00 24.22 C ATOM 1073 C LEU A 69 23.869 15.439 12.797 1.00 75.33 C ATOM 1074 O LEU A 69 24.707 14.873 13.500 1.00 21.23 O ATOM 1075 CB LEU A 69 22.139 17.152 13.369 1.00 20.50 C ATOM 1076 CG LEU A 69 21.924 18.152 14.507 1.00 54.25 C ATOM 1077 CD1 LEU A 69 20.521 18.735 14.449 1.00 35.15 C ATOM 1078 CD2 LEU A 69 22.173 17.487 15.854 1.00 35.53 C ATOM 0 H LEU A 69 23.082 18.215 11.354 1.00 2.01 H new ATOM 0 HA LEU A 69 24.255 17.340 13.694 1.00 24.22 H new ATOM 0 HB2 LEU A 69 21.568 17.489 12.504 1.00 20.50 H new ATOM 0 HB3 LEU A 69 21.722 16.192 13.672 1.00 20.50 H new ATOM 0 HG LEU A 69 22.638 18.967 14.389 1.00 54.25 H new ATOM 0 HD11 LEU A 69 20.387 19.444 15.266 1.00 35.15 H new ATOM 0 HD12 LEU A 69 20.379 19.247 13.497 1.00 35.15 H new ATOM 0 HD13 LEU A 69 19.789 17.932 14.542 1.00 35.15 H new ATOM 0 HD21 LEU A 69 22.016 18.212 16.652 1.00 35.53 H new ATOM 0 HD22 LEU A 69 21.483 16.652 15.981 1.00 35.53 H new ATOM 0 HD23 LEU A 69 23.198 17.120 15.894 1.00 35.53 H new ATOM 1090 N PRO A 70 23.153 14.785 11.872 1.00 13.32 N ATOM 1091 CA PRO A 70 23.308 13.348 11.619 1.00 2.14 C ATOM 1092 C PRO A 70 24.644 13.018 10.963 1.00 40.52 C ATOM 1093 O PRO A 70 25.127 13.759 10.106 1.00 51.21 O ATOM 1094 CB PRO A 70 22.151 13.028 10.669 1.00 52.23 C ATOM 1095 CG PRO A 70 21.851 14.318 9.989 1.00 24.13 C ATOM 1096 CD PRO A 70 22.136 15.396 10.998 1.00 54.14 C ATOM 0 HA PRO A 70 23.292 12.767 12.541 1.00 2.14 H new ATOM 0 HB2 PRO A 70 22.430 12.257 9.950 1.00 52.23 H new ATOM 0 HB3 PRO A 70 21.283 12.656 11.214 1.00 52.23 H new ATOM 0 HG2 PRO A 70 22.469 14.443 9.100 1.00 24.13 H new ATOM 0 HG3 PRO A 70 20.812 14.354 9.663 1.00 24.13 H new ATOM 0 HD2 PRO A 70 22.508 16.304 10.522 1.00 54.14 H new ATOM 0 HD3 PRO A 70 21.241 15.672 11.555 1.00 54.14 H new ATOM 1232 N PRO A 79 18.739 8.799 15.783 1.00 34.33 N ATOM 1233 CA PRO A 79 17.346 8.689 16.229 1.00 43.44 C ATOM 1234 C PRO A 79 16.606 10.019 16.153 1.00 55.01 C ATOM 1235 O PRO A 79 16.571 10.778 17.121 1.00 63.23 O ATOM 1236 CB PRO A 79 17.478 8.232 17.685 1.00 33.33 C ATOM 1237 CG PRO A 79 18.818 8.717 18.115 1.00 64.23 C ATOM 1238 CD PRO A 79 19.693 8.653 16.893 1.00 74.34 C ATOM 0 HA PRO A 79 16.769 8.008 15.603 1.00 43.44 H new ATOM 0 HB2 PRO A 79 16.687 8.653 18.305 1.00 33.33 H new ATOM 0 HB3 PRO A 79 17.404 7.148 17.768 1.00 33.33 H new ATOM 0 HG2 PRO A 79 18.759 9.735 18.500 1.00 64.23 H new ATOM 0 HG3 PRO A 79 19.220 8.096 18.916 1.00 64.23 H new ATOM 0 HD2 PRO A 79 20.438 9.449 16.890 1.00 74.34 H new ATOM 0 HD3 PRO A 79 20.235 7.709 16.836 1.00 74.34 H new ATOM 1246 N TYR A 80 16.013 10.294 14.996 1.00 24.11 N ATOM 1247 CA TYR A 80 15.274 11.535 14.793 1.00 52.20 C ATOM 1248 C TYR A 80 13.818 11.249 14.436 1.00 41.11 C ATOM 1249 O TYR A 80 13.457 10.118 14.107 1.00 61.44 O ATOM 1250 CB TYR A 80 15.927 12.367 13.688 1.00 42.25 C ATOM 1251 CG TYR A 80 16.892 13.409 14.206 1.00 63.23 C ATOM 1252 CD1 TYR A 80 17.853 13.083 15.156 1.00 2.12 C ATOM 1253 CD2 TYR A 80 16.844 14.719 13.747 1.00 74.40 C ATOM 1254 CE1 TYR A 80 18.738 14.032 15.633 1.00 35.43 C ATOM 1255 CE2 TYR A 80 17.725 15.674 14.217 1.00 33.43 C ATOM 1256 CZ TYR A 80 18.669 15.326 15.160 1.00 74.25 C ATOM 1257 OH TYR A 80 19.547 16.275 15.632 1.00 73.00 O ATOM 0 H TYR A 80 16.030 9.675 14.185 1.00 24.11 H new ATOM 0 HA TYR A 80 15.297 12.099 15.725 1.00 52.20 H new ATOM 0 HB2 TYR A 80 16.456 11.700 13.007 1.00 42.25 H new ATOM 0 HB3 TYR A 80 15.148 12.862 13.108 1.00 42.25 H new ATOM 0 HD1 TYR A 80 17.909 12.071 15.528 1.00 2.12 H new ATOM 0 HD2 TYR A 80 16.105 14.996 13.010 1.00 74.40 H new ATOM 0 HE1 TYR A 80 19.479 13.762 16.371 1.00 35.43 H new ATOM 0 HE2 TYR A 80 17.675 16.688 13.848 1.00 33.43 H new ATOM 0 HH TYR A 80 19.436 16.370 16.601 1.00 73.00 H new ATOM 1267 N VAL A 81 12.985 12.283 14.503 1.00 3.34 N ATOM 1268 CA VAL A 81 11.570 12.146 14.185 1.00 35.42 C ATOM 1269 C VAL A 81 11.008 13.440 13.609 1.00 33.32 C ATOM 1270 O VAL A 81 11.362 14.534 14.049 1.00 32.20 O ATOM 1271 CB VAL A 81 10.751 11.753 15.429 1.00 40.25 C ATOM 1272 CG1 VAL A 81 11.277 10.457 16.028 1.00 61.44 C ATOM 1273 CG2 VAL A 81 10.775 12.874 16.459 1.00 13.43 C ATOM 0 H VAL A 81 13.267 13.225 14.775 1.00 3.34 H new ATOM 0 HA VAL A 81 11.489 11.355 13.440 1.00 35.42 H new ATOM 0 HB VAL A 81 9.717 11.591 15.125 1.00 40.25 H new ATOM 0 HG11 VAL A 81 10.686 10.196 16.906 1.00 61.44 H new ATOM 0 HG12 VAL A 81 11.203 9.659 15.290 1.00 61.44 H new ATOM 0 HG13 VAL A 81 12.320 10.587 16.318 1.00 61.44 H new ATOM 0 HG21 VAL A 81 10.191 12.579 17.331 1.00 13.43 H new ATOM 0 HG22 VAL A 81 11.804 13.069 16.760 1.00 13.43 H new ATOM 0 HG23 VAL A 81 10.347 13.777 16.024 1.00 13.43 H new ATOM 1283 N PHE A 82 10.127 13.309 12.621 1.00 62.23 N ATOM 1284 CA PHE A 82 9.515 14.469 11.983 1.00 42.35 C ATOM 1285 C PHE A 82 8.046 14.594 12.376 1.00 42.34 C ATOM 1286 O PHE A 82 7.337 13.595 12.497 1.00 43.15 O ATOM 1287 CB PHE A 82 9.641 14.366 10.462 1.00 72.12 C ATOM 1288 CG PHE A 82 11.052 14.156 9.990 1.00 14.45 C ATOM 1289 CD1 PHE A 82 11.610 12.888 9.976 1.00 53.44 C ATOM 1290 CD2 PHE A 82 11.818 15.226 9.560 1.00 4.33 C ATOM 1291 CE1 PHE A 82 12.908 12.691 9.542 1.00 71.12 C ATOM 1292 CE2 PHE A 82 13.116 15.036 9.124 1.00 54.41 C ATOM 1293 CZ PHE A 82 13.662 13.766 9.116 1.00 23.33 C ATOM 0 H PHE A 82 9.821 12.411 12.245 1.00 62.23 H new ATOM 0 HA PHE A 82 10.041 15.360 12.325 1.00 42.35 H new ATOM 0 HB2 PHE A 82 9.022 13.541 10.109 1.00 72.12 H new ATOM 0 HB3 PHE A 82 9.247 15.276 10.010 1.00 72.12 H new ATOM 0 HD1 PHE A 82 11.024 12.044 10.308 1.00 53.44 H new ATOM 0 HD2 PHE A 82 11.397 16.220 9.565 1.00 4.33 H new ATOM 0 HE1 PHE A 82 13.331 11.697 9.536 1.00 71.12 H new ATOM 0 HE2 PHE A 82 13.703 15.879 8.790 1.00 54.41 H new ATOM 0 HZ PHE A 82 14.676 13.615 8.777 1.00 23.33 H new ATOM 1303 N VAL A 83 7.597 15.829 12.574 1.00 72.22 N ATOM 1304 CA VAL A 83 6.212 16.086 12.954 1.00 0.45 C ATOM 1305 C VAL A 83 5.540 17.035 11.968 1.00 1.24 C ATOM 1306 O VAL A 83 6.207 17.689 11.166 1.00 62.24 O ATOM 1307 CB VAL A 83 6.120 16.684 14.370 1.00 33.20 C ATOM 1308 CG1 VAL A 83 6.632 15.693 15.404 1.00 11.44 C ATOM 1309 CG2 VAL A 83 6.892 17.993 14.446 1.00 11.41 C ATOM 0 H VAL A 83 8.171 16.667 12.478 1.00 72.22 H new ATOM 0 HA VAL A 83 5.696 15.126 12.940 1.00 0.45 H new ATOM 0 HB VAL A 83 5.073 16.892 14.590 1.00 33.20 H new ATOM 0 HG11 VAL A 83 6.559 16.134 16.398 1.00 11.44 H new ATOM 0 HG12 VAL A 83 6.032 14.784 15.365 1.00 11.44 H new ATOM 0 HG13 VAL A 83 7.673 15.450 15.191 1.00 11.44 H new ATOM 0 HG21 VAL A 83 6.816 18.402 15.454 1.00 11.41 H new ATOM 0 HG22 VAL A 83 7.940 17.812 14.205 1.00 11.41 H new ATOM 0 HG23 VAL A 83 6.474 18.704 13.734 1.00 11.41 H new ATOM 1319 N ARG A 84 4.215 17.105 12.033 1.00 62.50 N ATOM 1320 CA ARG A 84 3.451 17.975 11.146 1.00 54.31 C ATOM 1321 C ARG A 84 3.032 19.254 11.865 1.00 52.35 C ATOM 1322 O ARG A 84 1.904 19.721 11.714 1.00 34.32 O ATOM 1323 CB ARG A 84 2.214 17.243 10.621 1.00 23.34 C ATOM 1324 CG ARG A 84 1.324 16.687 11.720 1.00 32.02 C ATOM 1325 CD ARG A 84 -0.111 16.522 11.243 1.00 72.55 C ATOM 1326 NE ARG A 84 -0.295 15.298 10.469 1.00 51.20 N ATOM 1327 CZ ARG A 84 -1.358 15.062 9.708 1.00 64.21 C ATOM 1328 NH1 ARG A 84 -2.327 15.962 9.620 1.00 60.34 N ATOM 1329 NH2 ARG A 84 -1.452 13.923 9.033 1.00 65.43 N ATOM 0 H ARG A 84 3.648 16.570 12.690 1.00 62.50 H new ATOM 0 HA ARG A 84 4.090 18.245 10.305 1.00 54.31 H new ATOM 0 HB2 ARG A 84 1.631 17.928 10.005 1.00 23.34 H new ATOM 0 HB3 ARG A 84 2.533 16.425 9.975 1.00 23.34 H new ATOM 0 HG2 ARG A 84 1.712 15.724 12.052 1.00 32.02 H new ATOM 0 HG3 ARG A 84 1.348 17.354 12.582 1.00 32.02 H new ATOM 0 HD2 ARG A 84 -0.780 16.510 12.104 1.00 72.55 H new ATOM 0 HD3 ARG A 84 -0.391 17.381 10.634 1.00 72.55 H new ATOM 0 HE ARG A 84 0.433 14.585 10.515 1.00 51.20 H new ATOM 0 HH11 ARG A 84 -2.258 16.838 10.137 1.00 60.34 H new ATOM 0 HH12 ARG A 84 -3.142 15.778 9.035 1.00 60.34 H new ATOM 0 HH21 ARG A 84 -0.708 13.228 9.098 1.00 65.43 H new ATOM 0 HH22 ARG A 84 -2.268 13.742 8.449 1.00 65.43 H new ATOM 1343 N SER A 85 3.949 19.813 12.648 1.00 33.32 N ATOM 1344 CA SER A 85 3.672 21.035 13.395 1.00 61.10 C ATOM 1345 C SER A 85 4.931 21.541 14.093 1.00 4.12 C ATOM 1346 O SER A 85 5.641 20.780 14.750 1.00 14.33 O ATOM 1347 CB SER A 85 2.568 20.791 14.425 1.00 54.22 C ATOM 1348 OG SER A 85 1.470 21.660 14.212 1.00 2.35 O ATOM 0 H SER A 85 4.889 19.440 12.782 1.00 33.32 H new ATOM 0 HA SER A 85 3.337 21.795 12.689 1.00 61.10 H new ATOM 0 HB2 SER A 85 2.233 19.755 14.365 1.00 54.22 H new ATOM 0 HB3 SER A 85 2.964 20.940 15.429 1.00 54.22 H new ATOM 0 HG SER A 85 0.778 21.483 14.882 1.00 2.35 H new ATOM 1354 N LYS A 86 5.203 22.834 13.944 1.00 11.44 N ATOM 1355 CA LYS A 86 6.376 23.445 14.559 1.00 30.44 C ATOM 1356 C LYS A 86 5.966 24.427 15.652 1.00 31.12 C ATOM 1357 O LYS A 86 6.734 24.697 16.575 1.00 35.10 O ATOM 1358 CB LYS A 86 7.216 24.164 13.500 1.00 71.15 C ATOM 1359 CG LYS A 86 6.400 25.047 12.573 1.00 14.54 C ATOM 1360 CD LYS A 86 6.128 24.358 11.245 1.00 75.22 C ATOM 1361 CE LYS A 86 5.166 25.164 10.386 1.00 21.43 C ATOM 1362 NZ LYS A 86 4.513 24.323 9.345 1.00 52.34 N ATOM 0 H LYS A 86 4.627 23.479 13.403 1.00 11.44 H new ATOM 0 HA LYS A 86 6.974 22.654 15.011 1.00 30.44 H new ATOM 0 HB2 LYS A 86 7.970 24.774 13.999 1.00 71.15 H new ATOM 0 HB3 LYS A 86 7.749 23.422 12.905 1.00 71.15 H new ATOM 0 HG2 LYS A 86 5.455 25.304 13.051 1.00 14.54 H new ATOM 0 HG3 LYS A 86 6.932 25.982 12.397 1.00 14.54 H new ATOM 0 HD2 LYS A 86 7.066 24.217 10.708 1.00 75.22 H new ATOM 0 HD3 LYS A 86 5.712 23.367 11.426 1.00 75.22 H new ATOM 0 HE2 LYS A 86 4.403 25.614 11.021 1.00 21.43 H new ATOM 0 HE3 LYS A 86 5.705 25.981 9.907 1.00 21.43 H new ATOM 0 HZ1 LYS A 86 3.865 24.909 8.781 1.00 52.34 H new ATOM 0 HZ2 LYS A 86 5.239 23.914 8.723 1.00 52.34 H new ATOM 0 HZ3 LYS A 86 3.978 23.558 9.803 1.00 52.34 H new ATOM 1376 N GLN A 87 4.753 24.958 15.539 1.00 55.12 N ATOM 1377 CA GLN A 87 4.242 25.910 16.519 1.00 63.34 C ATOM 1378 C GLN A 87 3.863 25.204 17.818 1.00 24.13 C ATOM 1379 O GLN A 87 3.974 25.777 18.901 1.00 65.35 O ATOM 1380 CB GLN A 87 3.029 26.653 15.956 1.00 51.52 C ATOM 1381 CG GLN A 87 3.386 27.948 15.244 1.00 12.11 C ATOM 1382 CD GLN A 87 2.295 28.413 14.301 1.00 24.34 C ATOM 1383 OE1 GLN A 87 1.106 28.240 14.573 1.00 24.32 O ATOM 1384 NE2 GLN A 87 2.693 29.011 13.183 1.00 53.31 N ATOM 0 H GLN A 87 4.106 24.746 14.780 1.00 55.12 H new ATOM 0 HA GLN A 87 5.032 26.630 16.735 1.00 63.34 H new ATOM 0 HB2 GLN A 87 2.503 25.999 15.261 1.00 51.52 H new ATOM 0 HB3 GLN A 87 2.339 26.874 16.770 1.00 51.52 H new ATOM 0 HG2 GLN A 87 3.577 28.725 15.984 1.00 12.11 H new ATOM 0 HG3 GLN A 87 4.310 27.808 14.684 1.00 12.11 H new ATOM 0 HE21 GLN A 87 3.688 29.134 12.997 1.00 53.31 H new ATOM 0 HE22 GLN A 87 2.003 29.347 12.511 1.00 53.31 H new ATOM 1393 N ALA A 88 3.416 23.960 17.699 1.00 54.34 N ATOM 1394 CA ALA A 88 3.023 23.175 18.864 1.00 14.22 C ATOM 1395 C ALA A 88 4.232 22.821 19.721 1.00 42.54 C ATOM 1396 O ALA A 88 4.210 22.980 20.943 1.00 11.01 O ATOM 1397 CB ALA A 88 2.293 21.913 18.428 1.00 40.13 C ATOM 0 H ALA A 88 3.316 23.473 16.809 1.00 54.34 H new ATOM 0 HA ALA A 88 2.348 23.781 19.469 1.00 14.22 H new ATOM 0 HB1 ALA A 88 2.006 21.337 19.307 1.00 40.13 H new ATOM 0 HB2 ALA A 88 1.400 22.185 17.865 1.00 40.13 H new ATOM 0 HB3 ALA A 88 2.950 21.312 17.799 1.00 40.13 H new ATOM 1403 N LEU A 89 5.289 22.339 19.075 1.00 35.42 N ATOM 1404 CA LEU A 89 6.509 21.961 19.779 1.00 40.42 C ATOM 1405 C LEU A 89 7.089 23.148 20.540 1.00 71.44 C ATOM 1406 O LEU A 89 7.756 22.978 21.561 1.00 64.51 O ATOM 1407 CB LEU A 89 7.544 21.419 18.791 1.00 74.15 C ATOM 1408 CG LEU A 89 8.446 22.460 18.126 1.00 50.41 C ATOM 1409 CD1 LEU A 89 9.699 22.690 18.957 1.00 60.53 C ATOM 1410 CD2 LEU A 89 8.812 22.024 16.715 1.00 24.01 C ATOM 0 H LEU A 89 5.325 22.201 18.065 1.00 35.42 H new ATOM 0 HA LEU A 89 6.257 21.181 20.497 1.00 40.42 H new ATOM 0 HB2 LEU A 89 8.176 20.701 19.314 1.00 74.15 H new ATOM 0 HB3 LEU A 89 7.018 20.870 18.009 1.00 74.15 H new ATOM 0 HG LEU A 89 7.899 23.401 18.064 1.00 50.41 H new ATOM 0 HD11 LEU A 89 10.328 23.434 18.468 1.00 60.53 H new ATOM 0 HD12 LEU A 89 9.418 23.047 19.948 1.00 60.53 H new ATOM 0 HD13 LEU A 89 10.250 21.754 19.052 1.00 60.53 H new ATOM 0 HD21 LEU A 89 9.454 22.776 16.257 1.00 24.01 H new ATOM 0 HD22 LEU A 89 9.340 21.071 16.754 1.00 24.01 H new ATOM 0 HD23 LEU A 89 7.904 21.912 16.122 1.00 24.01 H new ATOM 1422 N GLY A 90 6.828 24.351 20.038 1.00 71.54 N ATOM 1423 CA GLY A 90 7.329 25.550 20.686 1.00 41.44 C ATOM 1424 C GLY A 90 6.519 25.930 21.909 1.00 53.34 C ATOM 1425 O GLY A 90 7.073 26.372 22.916 1.00 25.32 O ATOM 0 H GLY A 90 6.279 24.517 19.195 1.00 71.54 H new ATOM 0 HA2 GLY A 90 8.368 25.395 20.976 1.00 41.44 H new ATOM 0 HA3 GLY A 90 7.316 26.376 19.975 1.00 41.44 H new ATOM 1429 N ARG A 91 5.204 25.758 21.823 1.00 20.10 N ATOM 1430 CA ARG A 91 4.316 26.090 22.931 1.00 43.32 C ATOM 1431 C ARG A 91 4.785 25.424 24.221 1.00 62.15 C ATOM 1432 O ARG A 91 4.765 26.035 25.290 1.00 1.20 O ATOM 1433 CB ARG A 91 2.885 25.656 22.612 1.00 72.43 C ATOM 1434 CG ARG A 91 2.014 26.779 22.072 1.00 70.10 C ATOM 1435 CD ARG A 91 0.554 26.359 21.983 1.00 3.50 C ATOM 1436 NE ARG A 91 0.318 25.436 20.876 1.00 12.11 N ATOM 1437 CZ ARG A 91 -0.894 25.083 20.461 1.00 63.11 C ATOM 1438 NH1 ARG A 91 -1.972 25.573 21.058 1.00 3.14 N ATOM 1439 NH2 ARG A 91 -1.028 24.238 19.446 1.00 71.14 N ATOM 0 H ARG A 91 4.730 25.391 20.998 1.00 20.10 H new ATOM 0 HA ARG A 91 4.338 27.171 23.071 1.00 43.32 H new ATOM 0 HB2 ARG A 91 2.914 24.847 21.882 1.00 72.43 H new ATOM 0 HB3 ARG A 91 2.426 25.254 23.515 1.00 72.43 H new ATOM 0 HG2 ARG A 91 2.104 27.653 22.717 1.00 70.10 H new ATOM 0 HG3 ARG A 91 2.370 27.074 21.085 1.00 70.10 H new ATOM 0 HD2 ARG A 91 0.255 25.887 22.919 1.00 3.50 H new ATOM 0 HD3 ARG A 91 -0.071 27.243 21.858 1.00 3.50 H new ATOM 0 HE ARG A 91 1.127 25.041 20.396 1.00 12.11 H new ATOM 0 HH11 ARG A 91 -1.872 26.223 21.838 1.00 3.14 H new ATOM 0 HH12 ARG A 91 -2.901 25.300 20.737 1.00 3.14 H new ATOM 0 HH21 ARG A 91 -0.201 23.860 18.985 1.00 71.14 H new ATOM 0 HH22 ARG A 91 -1.958 23.967 19.127 1.00 71.14 H new ATOM 1453 N ALA A 92 5.206 24.168 24.115 1.00 4.31 N ATOM 1454 CA ALA A 92 5.681 23.420 25.272 1.00 4.53 C ATOM 1455 C ALA A 92 7.100 23.834 25.648 1.00 42.24 C ATOM 1456 O ALA A 92 7.500 23.732 26.808 1.00 52.31 O ATOM 1457 CB ALA A 92 5.622 21.925 24.996 1.00 11.02 C ATOM 0 H ALA A 92 5.228 23.647 23.238 1.00 4.31 H new ATOM 0 HA ALA A 92 5.028 23.649 26.114 1.00 4.53 H new ATOM 0 HB1 ALA A 92 5.980 21.379 25.869 1.00 11.02 H new ATOM 0 HB2 ALA A 92 4.593 21.635 24.783 1.00 11.02 H new ATOM 0 HB3 ALA A 92 6.251 21.688 24.138 1.00 11.02 H new ATOM 1463 N CYS A 93 7.857 24.300 24.660 1.00 61.02 N ATOM 1464 CA CYS A 93 9.232 24.727 24.888 1.00 24.11 C ATOM 1465 C CYS A 93 9.275 25.988 25.745 1.00 24.22 C ATOM 1466 O CYS A 93 10.190 26.176 26.546 1.00 70.33 O ATOM 1467 CB CYS A 93 9.937 24.978 23.554 1.00 65.13 C ATOM 1468 SG CYS A 93 11.121 23.693 23.091 1.00 55.34 S ATOM 0 H CYS A 93 7.541 24.391 23.694 1.00 61.02 H new ATOM 0 HA CYS A 93 9.751 23.930 25.421 1.00 24.11 H new ATOM 0 HB2 CYS A 93 9.186 25.064 22.769 1.00 65.13 H new ATOM 0 HB3 CYS A 93 10.457 25.935 23.605 1.00 65.13 H new ATOM 0 HG CYS A 93 11.663 23.994 21.948 1.00 55.34 H new ATOM 1474 N GLY A 94 8.280 26.852 25.569 1.00 35.32 N ATOM 1475 CA GLY A 94 8.224 28.085 26.331 1.00 34.44 C ATOM 1476 C GLY A 94 8.424 29.313 25.464 1.00 51.24 C ATOM 1477 O GLY A 94 8.793 30.378 25.959 1.00 43.34 O ATOM 0 H GLY A 94 7.511 26.720 24.912 1.00 35.32 H new ATOM 0 HA2 GLY A 94 7.260 28.153 26.835 1.00 34.44 H new ATOM 0 HA3 GLY A 94 8.989 28.064 27.107 1.00 34.44 H new ATOM 1481 N VAL A 95 8.184 29.164 24.166 1.00 34.04 N ATOM 1482 CA VAL A 95 8.342 30.269 23.228 1.00 11.22 C ATOM 1483 C VAL A 95 7.061 30.504 22.434 1.00 75.21 C ATOM 1484 O VAL A 95 6.350 29.560 22.089 1.00 34.11 O ATOM 1485 CB VAL A 95 9.500 30.010 22.246 1.00 14.40 C ATOM 1486 CG1 VAL A 95 9.295 28.692 21.513 1.00 64.52 C ATOM 1487 CG2 VAL A 95 9.630 31.162 21.261 1.00 2.12 C ATOM 0 H VAL A 95 7.879 28.289 23.740 1.00 34.04 H new ATOM 0 HA VAL A 95 8.568 31.156 23.820 1.00 11.22 H new ATOM 0 HB VAL A 95 10.427 29.941 22.815 1.00 14.40 H new ATOM 0 HG11 VAL A 95 10.123 28.526 20.824 1.00 64.52 H new ATOM 0 HG12 VAL A 95 9.255 27.876 22.235 1.00 64.52 H new ATOM 0 HG13 VAL A 95 8.360 28.728 20.954 1.00 64.52 H new ATOM 0 HG21 VAL A 95 10.453 30.963 20.575 1.00 2.12 H new ATOM 0 HG22 VAL A 95 8.703 31.264 20.696 1.00 2.12 H new ATOM 0 HG23 VAL A 95 9.827 32.086 21.805 1.00 2.12 H new ATOM 1497 N SER A 96 6.773 31.769 22.148 1.00 32.40 N ATOM 1498 CA SER A 96 5.575 32.129 21.399 1.00 61.21 C ATOM 1499 C SER A 96 5.675 31.652 19.953 1.00 31.13 C ATOM 1500 O SER A 96 4.690 31.198 19.369 1.00 4.32 O ATOM 1501 CB SER A 96 5.362 33.644 21.434 1.00 1.41 C ATOM 1502 OG SER A 96 4.004 33.963 21.682 1.00 53.25 O ATOM 0 H SER A 96 7.353 32.562 22.423 1.00 32.40 H new ATOM 0 HA SER A 96 4.722 31.638 21.868 1.00 61.21 H new ATOM 0 HB2 SER A 96 5.990 34.085 22.209 1.00 1.41 H new ATOM 0 HB3 SER A 96 5.674 34.080 20.485 1.00 1.41 H new ATOM 0 HG SER A 96 3.895 34.937 21.701 1.00 53.25 H new ATOM 1508 N ARG A 97 6.870 31.757 19.383 1.00 23.25 N ATOM 1509 CA ARG A 97 7.100 31.338 18.006 1.00 12.01 C ATOM 1510 C ARG A 97 7.634 29.909 17.954 1.00 42.14 C ATOM 1511 O ARG A 97 8.152 29.378 18.937 1.00 32.51 O ATOM 1512 CB ARG A 97 8.083 32.287 17.318 1.00 13.45 C ATOM 1513 CG ARG A 97 7.416 33.280 16.381 1.00 62.30 C ATOM 1514 CD ARG A 97 7.640 34.713 16.838 1.00 31.14 C ATOM 1515 NE ARG A 97 7.205 35.681 15.834 1.00 21.13 N ATOM 1516 CZ ARG A 97 7.176 36.993 16.042 1.00 41.13 C ATOM 1517 NH1 ARG A 97 7.555 37.490 17.212 1.00 3.35 N ATOM 1518 NH2 ARG A 97 6.769 37.810 15.080 1.00 74.11 N ATOM 0 H ARG A 97 7.695 32.129 19.854 1.00 23.25 H new ATOM 0 HA ARG A 97 6.146 31.370 17.479 1.00 12.01 H new ATOM 0 HB2 ARG A 97 8.639 32.835 18.079 1.00 13.45 H new ATOM 0 HB3 ARG A 97 8.808 31.700 16.755 1.00 13.45 H new ATOM 0 HG2 ARG A 97 7.811 33.152 15.373 1.00 62.30 H new ATOM 0 HG3 ARG A 97 6.347 33.075 16.333 1.00 62.30 H new ATOM 0 HD2 ARG A 97 7.098 34.886 17.768 1.00 31.14 H new ATOM 0 HD3 ARG A 97 8.698 34.864 17.053 1.00 31.14 H new ATOM 0 HE ARG A 97 6.907 35.331 14.924 1.00 21.13 H new ATOM 0 HH11 ARG A 97 7.869 36.865 17.954 1.00 3.35 H new ATOM 0 HH12 ARG A 97 7.532 38.497 17.370 1.00 3.35 H new ATOM 0 HH21 ARG A 97 6.478 37.431 14.179 1.00 74.11 H new ATOM 0 HH22 ARG A 97 6.747 38.817 15.241 1.00 74.11 H new ATOM 1532 N PRO A 98 7.506 29.271 16.781 1.00 71.44 N ATOM 1533 CA PRO A 98 7.970 27.896 16.575 1.00 10.13 C ATOM 1534 C PRO A 98 9.492 27.790 16.577 1.00 21.34 C ATOM 1535 O PRO A 98 10.193 28.776 16.347 1.00 34.34 O ATOM 1536 CB PRO A 98 7.412 27.537 15.195 1.00 60.20 C ATOM 1537 CG PRO A 98 7.252 28.845 14.500 1.00 24.14 C ATOM 1538 CD PRO A 98 6.899 29.843 15.568 1.00 14.42 C ATOM 0 HA PRO A 98 7.638 27.231 17.372 1.00 10.13 H new ATOM 0 HB2 PRO A 98 8.091 26.880 14.652 1.00 60.20 H new ATOM 0 HB3 PRO A 98 6.460 27.013 15.277 1.00 60.20 H new ATOM 0 HG2 PRO A 98 8.172 29.130 13.989 1.00 24.14 H new ATOM 0 HG3 PRO A 98 6.470 28.791 13.743 1.00 24.14 H new ATOM 0 HD2 PRO A 98 7.302 30.831 15.344 1.00 14.42 H new ATOM 0 HD3 PRO A 98 5.820 29.955 15.673 1.00 14.42 H new ATOM 1546 N VAL A 99 9.997 26.590 16.839 1.00 13.23 N ATOM 1547 CA VAL A 99 11.435 26.355 16.870 1.00 44.22 C ATOM 1548 C VAL A 99 11.847 25.324 15.825 1.00 62.31 C ATOM 1549 O VAL A 99 11.080 24.419 15.496 1.00 51.22 O ATOM 1550 CB VAL A 99 11.895 25.875 18.259 1.00 43.11 C ATOM 1551 CG1 VAL A 99 13.414 25.821 18.330 1.00 3.43 C ATOM 1552 CG2 VAL A 99 11.335 26.777 19.347 1.00 72.25 C ATOM 0 H VAL A 99 9.431 25.764 17.033 1.00 13.23 H new ATOM 0 HA VAL A 99 11.916 27.307 16.645 1.00 44.22 H new ATOM 0 HB VAL A 99 11.511 24.868 18.421 1.00 43.11 H new ATOM 0 HG11 VAL A 99 13.720 25.480 19.319 1.00 3.43 H new ATOM 0 HG12 VAL A 99 13.789 25.130 17.575 1.00 3.43 H new ATOM 0 HG13 VAL A 99 13.822 26.815 18.147 1.00 3.43 H new ATOM 0 HG21 VAL A 99 11.670 26.423 20.322 1.00 72.25 H new ATOM 0 HG22 VAL A 99 11.687 27.797 19.191 1.00 72.25 H new ATOM 0 HG23 VAL A 99 10.246 26.759 19.310 1.00 72.25 H new ATOM 1562 N ILE A 100 13.062 25.468 15.307 1.00 32.04 N ATOM 1563 CA ILE A 100 13.576 24.549 14.300 1.00 12.40 C ATOM 1564 C ILE A 100 13.812 23.163 14.891 1.00 32.11 C ATOM 1565 O ILE A 100 13.116 22.206 14.552 1.00 21.30 O ATOM 1566 CB ILE A 100 14.892 25.063 13.687 1.00 25.32 C ATOM 1567 CG1 ILE A 100 14.746 26.527 13.267 1.00 24.22 C ATOM 1568 CG2 ILE A 100 15.294 24.204 12.497 1.00 74.04 C ATOM 1569 CD1 ILE A 100 13.625 26.764 12.280 1.00 2.41 C ATOM 0 H ILE A 100 13.709 26.212 15.568 1.00 32.04 H new ATOM 0 HA ILE A 100 12.821 24.485 13.517 1.00 12.40 H new ATOM 0 HB ILE A 100 15.677 24.996 14.441 1.00 25.32 H new ATOM 0 HG12 ILE A 100 14.572 27.135 14.155 1.00 24.22 H new ATOM 0 HG13 ILE A 100 15.684 26.866 12.827 1.00 24.22 H new ATOM 0 HG21 ILE A 100 16.226 24.580 12.075 1.00 74.04 H new ATOM 0 HG22 ILE A 100 15.433 23.173 12.823 1.00 74.04 H new ATOM 0 HG23 ILE A 100 14.511 24.242 11.740 1.00 74.04 H new ATOM 0 HD11 ILE A 100 13.581 27.823 12.027 1.00 2.41 H new ATOM 0 HD12 ILE A 100 13.807 26.183 11.376 1.00 2.41 H new ATOM 0 HD13 ILE A 100 12.678 26.457 12.724 1.00 2.41 H new ATOM 1581 N ALA A 101 14.797 23.063 15.777 1.00 64.21 N ATOM 1582 CA ALA A 101 15.122 21.796 16.419 1.00 51.43 C ATOM 1583 C ALA A 101 15.536 22.005 17.871 1.00 62.12 C ATOM 1584 O ALA A 101 16.371 22.860 18.171 1.00 74.51 O ATOM 1585 CB ALA A 101 16.226 21.083 15.651 1.00 22.24 C ATOM 0 H ALA A 101 15.384 23.845 16.067 1.00 64.21 H new ATOM 0 HA ALA A 101 14.227 21.174 16.410 1.00 51.43 H new ATOM 0 HB1 ALA A 101 16.459 20.138 16.142 1.00 22.24 H new ATOM 0 HB2 ALA A 101 15.893 20.890 14.631 1.00 22.24 H new ATOM 0 HB3 ALA A 101 17.117 21.710 15.629 1.00 22.24 H new ATOM 1591 N CYS A 102 14.948 21.221 18.768 1.00 45.10 N ATOM 1592 CA CYS A 102 15.256 21.322 20.191 1.00 21.20 C ATOM 1593 C CYS A 102 15.840 20.015 20.715 1.00 74.02 C ATOM 1594 O CYS A 102 15.512 18.936 20.223 1.00 51.44 O ATOM 1595 CB CYS A 102 13.998 21.686 20.980 1.00 71.13 C ATOM 1596 SG CYS A 102 12.615 20.549 20.731 1.00 73.51 S ATOM 0 H CYS A 102 14.256 20.509 18.536 1.00 45.10 H new ATOM 0 HA CYS A 102 15.999 22.108 20.323 1.00 21.20 H new ATOM 0 HB2 CYS A 102 14.244 21.715 22.042 1.00 71.13 H new ATOM 0 HB3 CYS A 102 13.683 22.691 20.698 1.00 71.13 H new ATOM 0 HG CYS A 102 11.599 20.940 21.441 1.00 73.51 H new ATOM 1602 N SER A 103 16.708 20.120 21.716 1.00 44.14 N ATOM 1603 CA SER A 103 17.343 18.946 22.304 1.00 21.03 C ATOM 1604 C SER A 103 16.661 18.558 23.612 1.00 41.13 C ATOM 1605 O SER A 103 16.422 19.402 24.475 1.00 72.33 O ATOM 1606 CB SER A 103 18.830 19.214 22.550 1.00 72.12 C ATOM 1607 OG SER A 103 19.632 18.191 21.987 1.00 51.33 O ATOM 0 H SER A 103 16.988 21.006 22.137 1.00 44.14 H new ATOM 0 HA SER A 103 17.242 18.118 21.602 1.00 21.03 H new ATOM 0 HB2 SER A 103 19.106 20.176 22.118 1.00 72.12 H new ATOM 0 HB3 SER A 103 19.019 19.280 23.622 1.00 72.12 H new ATOM 0 HG SER A 103 20.547 18.268 22.328 1.00 51.33 H new ATOM 1613 N VAL A 104 16.350 17.272 23.751 1.00 23.33 N ATOM 1614 CA VAL A 104 15.696 16.769 24.953 1.00 22.45 C ATOM 1615 C VAL A 104 16.659 15.942 25.797 1.00 22.43 C ATOM 1616 O VAL A 104 17.036 14.832 25.420 1.00 74.43 O ATOM 1617 CB VAL A 104 14.466 15.910 24.605 1.00 53.22 C ATOM 1618 CG1 VAL A 104 13.806 15.387 25.871 1.00 52.44 C ATOM 1619 CG2 VAL A 104 13.478 16.709 23.769 1.00 52.02 C ATOM 0 H VAL A 104 16.541 16.560 23.046 1.00 23.33 H new ATOM 0 HA VAL A 104 15.372 17.638 25.525 1.00 22.45 H new ATOM 0 HB VAL A 104 14.796 15.054 24.016 1.00 53.22 H new ATOM 0 HG11 VAL A 104 12.939 14.782 25.606 1.00 52.44 H new ATOM 0 HG12 VAL A 104 14.518 14.777 26.427 1.00 52.44 H new ATOM 0 HG13 VAL A 104 13.488 16.227 26.489 1.00 52.44 H new ATOM 0 HG21 VAL A 104 12.615 16.087 23.532 1.00 52.02 H new ATOM 0 HG22 VAL A 104 13.151 17.584 24.330 1.00 52.02 H new ATOM 0 HG23 VAL A 104 13.959 17.029 22.845 1.00 52.02 H new ATOM 1629 N THR A 105 17.054 16.489 26.942 1.00 62.22 N ATOM 1630 CA THR A 105 17.974 15.803 27.840 1.00 23.03 C ATOM 1631 C THR A 105 17.222 14.907 28.817 1.00 52.32 C ATOM 1632 O THR A 105 16.069 15.173 29.157 1.00 40.40 O ATOM 1633 CB THR A 105 18.833 16.803 28.636 1.00 65.41 C ATOM 1634 OG1 THR A 105 18.029 17.471 29.614 1.00 51.21 O ATOM 1635 CG2 THR A 105 19.469 17.828 27.709 1.00 22.43 C ATOM 0 H THR A 105 16.751 17.406 27.270 1.00 62.22 H new ATOM 0 HA THR A 105 18.626 15.191 27.217 1.00 23.03 H new ATOM 0 HB THR A 105 19.626 16.248 29.137 1.00 65.41 H new ATOM 0 HG1 THR A 105 18.284 17.167 30.510 1.00 51.21 H new ATOM 0 HG21 THR A 105 20.071 18.524 28.294 1.00 22.43 H new ATOM 0 HG22 THR A 105 20.105 17.319 26.985 1.00 22.43 H new ATOM 0 HG23 THR A 105 18.688 18.377 27.183 1.00 22.43 H new ATOM 1643 N ILE A 106 17.882 13.844 29.266 1.00 15.44 N ATOM 1644 CA ILE A 106 17.275 12.910 30.205 1.00 54.34 C ATOM 1645 C ILE A 106 17.961 12.974 31.565 1.00 61.32 C ATOM 1646 O ILE A 106 19.163 13.227 31.656 1.00 70.51 O ATOM 1647 CB ILE A 106 17.337 11.463 29.680 1.00 50.22 C ATOM 1648 CG1 ILE A 106 16.576 10.523 30.618 1.00 31.24 C ATOM 1649 CG2 ILE A 106 18.784 11.015 29.534 1.00 1.30 C ATOM 1650 CD1 ILE A 106 16.494 9.101 30.111 1.00 10.10 C ATOM 0 H ILE A 106 18.837 13.609 28.994 1.00 15.44 H new ATOM 0 HA ILE A 106 16.231 13.205 30.312 1.00 54.34 H new ATOM 0 HB ILE A 106 16.864 11.428 28.699 1.00 50.22 H new ATOM 0 HG12 ILE A 106 17.062 10.525 31.594 1.00 31.24 H new ATOM 0 HG13 ILE A 106 15.566 10.907 30.764 1.00 31.24 H new ATOM 0 HG21 ILE A 106 18.812 9.991 29.162 1.00 1.30 H new ATOM 0 HG22 ILE A 106 19.299 11.670 28.831 1.00 1.30 H new ATOM 0 HG23 ILE A 106 19.279 11.063 30.504 1.00 1.30 H new ATOM 0 HD11 ILE A 106 15.941 8.491 30.826 1.00 10.10 H new ATOM 0 HD12 ILE A 106 15.982 9.087 29.149 1.00 10.10 H new ATOM 0 HD13 ILE A 106 17.500 8.699 29.992 1.00 10.10 H new ATOM 1662 N LYS A 107 17.190 12.742 32.623 1.00 22.43 N ATOM 1663 CA LYS A 107 17.722 12.771 33.980 1.00 43.20 C ATOM 1664 C LYS A 107 17.423 11.466 34.709 1.00 41.12 C ATOM 1665 O LYS A 107 16.319 11.266 35.216 1.00 30.24 O ATOM 1666 CB LYS A 107 17.131 13.949 34.757 1.00 25.24 C ATOM 1667 CG LYS A 107 17.817 14.207 36.087 1.00 42.03 C ATOM 1668 CD LYS A 107 18.382 15.615 36.160 1.00 72.40 C ATOM 1669 CE LYS A 107 19.509 15.712 37.176 1.00 55.14 C ATOM 1670 NZ LYS A 107 20.481 16.785 36.827 1.00 1.32 N ATOM 0 H LYS A 107 16.194 12.532 32.566 1.00 22.43 H new ATOM 0 HA LYS A 107 18.803 12.892 33.917 1.00 43.20 H new ATOM 0 HB2 LYS A 107 17.197 14.848 34.144 1.00 25.24 H new ATOM 0 HB3 LYS A 107 16.072 13.761 34.935 1.00 25.24 H new ATOM 0 HG2 LYS A 107 17.106 14.057 36.899 1.00 42.03 H new ATOM 0 HG3 LYS A 107 18.620 13.484 36.229 1.00 42.03 H new ATOM 0 HD2 LYS A 107 18.750 15.912 35.178 1.00 72.40 H new ATOM 0 HD3 LYS A 107 17.589 16.313 36.428 1.00 72.40 H new ATOM 0 HE2 LYS A 107 19.091 15.908 38.164 1.00 55.14 H new ATOM 0 HE3 LYS A 107 20.029 14.756 37.234 1.00 55.14 H new ATOM 0 HZ1 LYS A 107 21.233 16.818 37.544 1.00 1.32 H new ATOM 0 HZ2 LYS A 107 20.899 16.585 35.896 1.00 1.32 H new ATOM 0 HZ3 LYS A 107 19.990 17.702 36.797 1.00 1.32 H new ATOM 1684 N GLU A 108 18.414 10.581 34.761 1.00 10.35 N ATOM 1685 CA GLU A 108 18.255 9.295 35.430 1.00 0.42 C ATOM 1686 C GLU A 108 18.087 9.482 36.935 1.00 4.42 C ATOM 1687 O GLU A 108 18.908 10.127 37.586 1.00 74.45 O ATOM 1688 CB GLU A 108 19.461 8.396 35.148 1.00 14.22 C ATOM 1689 CG GLU A 108 19.091 7.064 34.517 1.00 12.41 C ATOM 1690 CD GLU A 108 19.989 6.703 33.349 1.00 35.05 C ATOM 1691 OE1 GLU A 108 21.222 6.664 33.537 1.00 11.44 O ATOM 1692 OE2 GLU A 108 19.456 6.460 32.245 1.00 74.45 O ATOM 0 H GLU A 108 19.335 10.731 34.348 1.00 10.35 H new ATOM 0 HA GLU A 108 17.356 8.819 35.038 1.00 0.42 H new ATOM 0 HB2 GLU A 108 20.150 8.923 34.488 1.00 14.22 H new ATOM 0 HB3 GLU A 108 19.993 8.211 36.082 1.00 14.22 H new ATOM 0 HG2 GLU A 108 19.150 6.280 35.272 1.00 12.41 H new ATOM 0 HG3 GLU A 108 18.056 7.102 34.177 1.00 12.41 H new ATOM 1699 N GLY A 109 17.016 8.912 37.480 1.00 21.32 N ATOM 1700 CA GLY A 109 16.759 9.028 38.903 1.00 52.04 C ATOM 1701 C GLY A 109 15.278 9.092 39.222 1.00 13.22 C ATOM 1702 O GLY A 109 14.865 8.811 40.347 1.00 51.23 O ATOM 0 H GLY A 109 16.323 8.373 36.961 1.00 21.32 H new ATOM 0 HA2 GLY A 109 17.202 8.177 39.420 1.00 52.04 H new ATOM 0 HA3 GLY A 109 17.249 9.923 39.286 1.00 52.04 H new ATOM 1706 N SER A 110 14.476 9.463 38.229 1.00 4.51 N ATOM 1707 CA SER A 110 13.033 9.569 38.410 1.00 51.23 C ATOM 1708 C SER A 110 12.293 8.724 37.377 1.00 30.13 C ATOM 1709 O SER A 110 12.853 8.359 36.344 1.00 31.14 O ATOM 1710 CB SER A 110 12.590 11.029 38.305 1.00 4.41 C ATOM 1711 OG SER A 110 11.411 11.260 39.057 1.00 44.44 O ATOM 0 H SER A 110 14.801 9.695 37.291 1.00 4.51 H new ATOM 0 HA SER A 110 12.787 9.194 39.404 1.00 51.23 H new ATOM 0 HB2 SER A 110 13.387 11.681 38.663 1.00 4.41 H new ATOM 0 HB3 SER A 110 12.414 11.285 37.260 1.00 4.41 H new ATOM 0 HG SER A 110 11.150 12.201 38.975 1.00 44.44 H new ATOM 1717 N GLN A 111 11.032 8.419 37.665 1.00 61.21 N ATOM 1718 CA GLN A 111 10.215 7.618 36.762 1.00 45.31 C ATOM 1719 C GLN A 111 10.171 8.240 35.370 1.00 64.44 C ATOM 1720 O GLN A 111 9.973 7.545 34.373 1.00 33.53 O ATOM 1721 CB GLN A 111 8.796 7.475 37.315 1.00 53.22 C ATOM 1722 CG GLN A 111 7.995 8.766 37.275 1.00 41.43 C ATOM 1723 CD GLN A 111 7.101 8.937 38.488 1.00 15.51 C ATOM 1724 OE1 GLN A 111 7.302 9.840 39.299 1.00 60.54 O ATOM 1725 NE2 GLN A 111 6.107 8.065 38.617 1.00 32.53 N ATOM 0 H GLN A 111 10.554 8.714 38.516 1.00 61.21 H new ATOM 0 HA GLN A 111 10.668 6.630 36.684 1.00 45.31 H new ATOM 0 HB2 GLN A 111 8.268 6.711 36.744 1.00 53.22 H new ATOM 0 HB3 GLN A 111 8.850 7.122 38.345 1.00 53.22 H new ATOM 0 HG2 GLN A 111 8.680 9.612 37.211 1.00 41.43 H new ATOM 0 HG3 GLN A 111 7.384 8.782 36.373 1.00 41.43 H new ATOM 0 HE21 GLN A 111 5.978 7.332 37.920 1.00 32.53 H new ATOM 0 HE22 GLN A 111 5.473 8.129 39.413 1.00 32.53 H new ATOM 1734 N LEU A 112 10.357 9.554 35.310 1.00 31.34 N ATOM 1735 CA LEU A 112 10.338 10.272 34.040 1.00 70.51 C ATOM 1736 C LEU A 112 11.295 9.633 33.039 1.00 11.32 C ATOM 1737 O LEU A 112 11.042 9.634 31.834 1.00 23.31 O ATOM 1738 CB LEU A 112 10.712 11.739 34.256 1.00 22.34 C ATOM 1739 CG LEU A 112 9.810 12.769 33.575 1.00 4.44 C ATOM 1740 CD1 LEU A 112 8.870 13.408 34.587 1.00 12.34 C ATOM 1741 CD2 LEU A 112 10.645 13.832 32.876 1.00 42.31 C ATOM 0 H LEU A 112 10.523 10.144 36.125 1.00 31.34 H new ATOM 0 HA LEU A 112 9.328 10.217 33.634 1.00 70.51 H new ATOM 0 HB2 LEU A 112 10.713 11.939 35.328 1.00 22.34 H new ATOM 0 HB3 LEU A 112 11.732 11.889 33.903 1.00 22.34 H new ATOM 0 HG LEU A 112 9.209 12.256 32.824 1.00 4.44 H new ATOM 0 HD11 LEU A 112 8.236 14.138 34.084 1.00 12.34 H new ATOM 0 HD12 LEU A 112 8.247 12.638 35.041 1.00 12.34 H new ATOM 0 HD13 LEU A 112 9.453 13.906 35.361 1.00 12.34 H new ATOM 0 HD21 LEU A 112 9.986 14.556 32.397 1.00 42.31 H new ATOM 0 HD22 LEU A 112 11.273 14.341 33.608 1.00 42.31 H new ATOM 0 HD23 LEU A 112 11.276 13.361 32.122 1.00 42.31 H new ATOM 1753 N LYS A 113 12.395 9.087 33.547 1.00 12.42 N ATOM 1754 CA LYS A 113 13.389 8.440 32.698 1.00 51.11 C ATOM 1755 C LYS A 113 12.761 7.311 31.887 1.00 4.22 C ATOM 1756 O LYS A 113 13.191 7.026 30.769 1.00 30.52 O ATOM 1757 CB LYS A 113 14.537 7.892 33.549 1.00 75.31 C ATOM 1758 CG LYS A 113 14.167 6.651 34.343 1.00 72.25 C ATOM 1759 CD LYS A 113 15.077 6.467 35.547 1.00 52.40 C ATOM 1760 CE LYS A 113 15.657 5.061 35.596 1.00 72.21 C ATOM 1761 NZ LYS A 113 16.009 4.656 36.984 1.00 61.45 N ATOM 0 H LYS A 113 12.621 9.080 34.542 1.00 12.42 H new ATOM 0 HA LYS A 113 13.780 9.186 32.007 1.00 51.11 H new ATOM 0 HB2 LYS A 113 15.381 7.659 32.899 1.00 75.31 H new ATOM 0 HB3 LYS A 113 14.870 8.668 34.238 1.00 75.31 H new ATOM 0 HG2 LYS A 113 13.132 6.726 34.676 1.00 72.25 H new ATOM 0 HG3 LYS A 113 14.232 5.774 33.700 1.00 72.25 H new ATOM 0 HD2 LYS A 113 15.887 7.195 35.507 1.00 52.40 H new ATOM 0 HD3 LYS A 113 14.517 6.663 36.461 1.00 52.40 H new ATOM 0 HE2 LYS A 113 14.935 4.356 35.184 1.00 72.21 H new ATOM 0 HE3 LYS A 113 16.546 5.012 34.967 1.00 72.21 H new ATOM 0 HZ1 LYS A 113 16.401 3.693 36.976 1.00 61.45 H new ATOM 0 HZ2 LYS A 113 16.716 5.314 37.369 1.00 61.45 H new ATOM 0 HZ3 LYS A 113 15.156 4.678 37.579 1.00 61.45 H new ATOM 1775 N GLN A 114 11.743 6.675 32.455 1.00 74.05 N ATOM 1776 CA GLN A 114 11.056 5.578 31.783 1.00 63.20 C ATOM 1777 C GLN A 114 10.121 6.105 30.699 1.00 1.00 C ATOM 1778 O GLN A 114 10.098 5.587 29.583 1.00 14.35 O ATOM 1779 CB GLN A 114 10.266 4.747 32.794 1.00 74.24 C ATOM 1780 CG GLN A 114 11.097 4.276 33.977 1.00 30.32 C ATOM 1781 CD GLN A 114 10.689 2.901 34.467 1.00 11.40 C ATOM 1782 OE1 GLN A 114 9.526 2.668 34.800 1.00 53.41 O ATOM 1783 NE2 GLN A 114 11.644 1.981 34.515 1.00 41.52 N ATOM 0 H GLN A 114 11.375 6.900 33.379 1.00 74.05 H new ATOM 0 HA GLN A 114 11.809 4.945 31.313 1.00 63.20 H new ATOM 0 HB2 GLN A 114 9.428 5.339 33.162 1.00 74.24 H new ATOM 0 HB3 GLN A 114 9.845 3.878 32.288 1.00 74.24 H new ATOM 0 HG2 GLN A 114 12.149 4.259 33.693 1.00 30.32 H new ATOM 0 HG3 GLN A 114 10.999 4.992 34.793 1.00 30.32 H new ATOM 0 HE21 GLN A 114 12.594 2.217 34.230 1.00 41.52 H new ATOM 0 HE22 GLN A 114 11.428 1.038 34.837 1.00 41.52 H new ATOM 1792 N GLN A 115 9.354 7.136 31.036 1.00 50.21 N ATOM 1793 CA GLN A 115 8.417 7.732 30.091 1.00 11.44 C ATOM 1794 C GLN A 115 9.139 8.207 28.834 1.00 60.55 C ATOM 1795 O GLN A 115 8.670 7.988 27.717 1.00 41.33 O ATOM 1796 CB GLN A 115 7.677 8.902 30.742 1.00 63.13 C ATOM 1797 CG GLN A 115 6.314 8.526 31.299 1.00 11.41 C ATOM 1798 CD GLN A 115 6.394 7.446 32.360 1.00 10.42 C ATOM 1799 OE1 GLN A 115 6.373 6.254 32.051 1.00 61.25 O ATOM 1800 NE2 GLN A 115 6.487 7.859 33.618 1.00 51.12 N ATOM 0 H GLN A 115 9.363 7.576 31.956 1.00 50.21 H new ATOM 0 HA GLN A 115 7.694 6.968 29.805 1.00 11.44 H new ATOM 0 HB2 GLN A 115 8.290 9.306 31.547 1.00 63.13 H new ATOM 0 HB3 GLN A 115 7.553 9.697 30.007 1.00 63.13 H new ATOM 0 HG2 GLN A 115 5.842 9.412 31.723 1.00 11.41 H new ATOM 0 HG3 GLN A 115 5.675 8.183 30.485 1.00 11.41 H new ATOM 0 HE21 GLN A 115 6.501 8.857 33.827 1.00 51.12 H new ATOM 0 HE22 GLN A 115 6.545 7.178 34.375 1.00 51.12 H new ATOM 1809 N ILE A 116 10.281 8.859 29.026 1.00 13.44 N ATOM 1810 CA ILE A 116 11.068 9.364 27.907 1.00 15.35 C ATOM 1811 C ILE A 116 11.610 8.222 27.055 1.00 53.25 C ATOM 1812 O ILE A 116 11.725 8.343 25.836 1.00 25.22 O ATOM 1813 CB ILE A 116 12.244 10.230 28.392 1.00 64.34 C ATOM 1814 CG1 ILE A 116 11.731 11.404 29.229 1.00 11.24 C ATOM 1815 CG2 ILE A 116 13.057 10.733 27.208 1.00 73.23 C ATOM 1816 CD1 ILE A 116 12.824 12.141 29.971 1.00 51.11 C ATOM 0 H ILE A 116 10.682 9.050 29.944 1.00 13.44 H new ATOM 0 HA ILE A 116 10.399 9.978 27.304 1.00 15.35 H new ATOM 0 HB ILE A 116 12.892 9.617 29.018 1.00 64.34 H new ATOM 0 HG12 ILE A 116 11.210 12.105 28.576 1.00 11.24 H new ATOM 0 HG13 ILE A 116 11.000 11.035 29.948 1.00 11.24 H new ATOM 0 HG21 ILE A 116 13.885 11.344 27.568 1.00 73.23 H new ATOM 0 HG22 ILE A 116 13.449 9.884 26.649 1.00 73.23 H new ATOM 0 HG23 ILE A 116 12.420 11.332 26.558 1.00 73.23 H new ATOM 0 HD11 ILE A 116 12.387 12.960 30.543 1.00 51.11 H new ATOM 0 HD12 ILE A 116 13.330 11.454 30.649 1.00 51.11 H new ATOM 0 HD13 ILE A 116 13.543 12.541 29.256 1.00 51.11 H new ATOM 1828 N GLN A 117 11.939 7.110 27.706 1.00 42.14 N ATOM 1829 CA GLN A 117 12.468 5.944 27.008 1.00 24.34 C ATOM 1830 C GLN A 117 11.352 5.177 26.307 1.00 2.13 C ATOM 1831 O GLN A 117 11.584 4.502 25.304 1.00 64.23 O ATOM 1832 CB GLN A 117 13.198 5.024 27.988 1.00 2.32 C ATOM 1833 CG GLN A 117 14.280 4.177 27.336 1.00 72.32 C ATOM 1834 CD GLN A 117 14.776 3.067 28.242 1.00 3.12 C ATOM 1835 OE1 GLN A 117 15.295 3.323 29.329 1.00 14.32 O ATOM 1836 NE2 GLN A 117 14.620 1.825 27.798 1.00 30.33 N ATOM 0 H GLN A 117 11.848 6.992 28.715 1.00 42.14 H new ATOM 0 HA GLN A 117 13.174 6.293 26.254 1.00 24.34 H new ATOM 0 HB2 GLN A 117 13.647 5.629 28.776 1.00 2.32 H new ATOM 0 HB3 GLN A 117 12.472 4.366 28.466 1.00 2.32 H new ATOM 0 HG2 GLN A 117 13.891 3.743 26.415 1.00 72.32 H new ATOM 0 HG3 GLN A 117 15.118 4.816 27.058 1.00 72.32 H new ATOM 0 HE21 GLN A 117 14.184 1.659 26.891 1.00 30.33 H new ATOM 0 HE22 GLN A 117 14.936 1.038 28.364 1.00 30.33 H new ATOM 1845 N SER A 118 10.140 5.285 26.841 1.00 52.34 N ATOM 1846 CA SER A 118 8.988 4.597 26.269 1.00 24.53 C ATOM 1847 C SER A 118 8.689 5.115 24.866 1.00 50.01 C ATOM 1848 O SER A 118 8.551 4.336 23.922 1.00 44.43 O ATOM 1849 CB SER A 118 7.762 4.781 27.165 1.00 54.51 C ATOM 1850 OG SER A 118 7.424 3.571 27.822 1.00 43.40 O ATOM 0 H SER A 118 9.930 5.842 27.669 1.00 52.34 H new ATOM 0 HA SER A 118 9.225 3.535 26.203 1.00 24.53 H new ATOM 0 HB2 SER A 118 7.961 5.557 27.904 1.00 54.51 H new ATOM 0 HB3 SER A 118 6.917 5.121 26.566 1.00 54.51 H new ATOM 0 HG SER A 118 6.638 3.715 28.390 1.00 43.40 H new ATOM 1856 N ILE A 119 8.589 6.433 24.737 1.00 3.25 N ATOM 1857 CA ILE A 119 8.308 7.056 23.449 1.00 75.11 C ATOM 1858 C ILE A 119 9.441 6.808 22.459 1.00 72.44 C ATOM 1859 O ILE A 119 9.215 6.722 21.252 1.00 73.11 O ATOM 1860 CB ILE A 119 8.089 8.573 23.593 1.00 63.32 C ATOM 1861 CG1 ILE A 119 7.690 9.183 22.248 1.00 15.15 C ATOM 1862 CG2 ILE A 119 9.346 9.240 24.130 1.00 70.51 C ATOM 1863 CD1 ILE A 119 7.113 10.577 22.363 1.00 50.31 C ATOM 0 H ILE A 119 8.698 7.091 25.509 1.00 3.25 H new ATOM 0 HA ILE A 119 7.393 6.600 23.071 1.00 75.11 H new ATOM 0 HB ILE A 119 7.279 8.743 24.302 1.00 63.32 H new ATOM 0 HG12 ILE A 119 8.565 9.213 21.598 1.00 15.15 H new ATOM 0 HG13 ILE A 119 6.958 8.534 21.767 1.00 15.15 H new ATOM 0 HG21 ILE A 119 9.176 10.312 24.226 1.00 70.51 H new ATOM 0 HG22 ILE A 119 9.591 8.822 25.106 1.00 70.51 H new ATOM 0 HG23 ILE A 119 10.173 9.064 23.442 1.00 70.51 H new ATOM 0 HD11 ILE A 119 6.853 10.946 21.371 1.00 50.31 H new ATOM 0 HD12 ILE A 119 6.219 10.551 22.986 1.00 50.31 H new ATOM 0 HD13 ILE A 119 7.851 11.240 22.815 1.00 50.31 H new ATOM 1875 N GLN A 120 10.659 6.692 22.979 1.00 22.20 N ATOM 1876 CA GLN A 120 11.827 6.454 22.140 1.00 51.21 C ATOM 1877 C GLN A 120 11.716 5.113 21.421 1.00 75.12 C ATOM 1878 O GLN A 120 11.963 5.021 20.219 1.00 65.21 O ATOM 1879 CB GLN A 120 13.102 6.489 22.983 1.00 62.14 C ATOM 1880 CG GLN A 120 14.354 6.105 22.210 1.00 71.05 C ATOM 1881 CD GLN A 120 15.429 7.172 22.274 1.00 3.44 C ATOM 1882 OE1 GLN A 120 15.815 7.741 21.253 1.00 22.41 O ATOM 1883 NE2 GLN A 120 15.918 7.449 23.476 1.00 65.13 N ATOM 0 H GLN A 120 10.862 6.759 23.976 1.00 22.20 H new ATOM 0 HA GLN A 120 11.873 7.245 21.391 1.00 51.21 H new ATOM 0 HB2 GLN A 120 13.230 7.492 23.391 1.00 62.14 H new ATOM 0 HB3 GLN A 120 12.986 5.813 23.830 1.00 62.14 H new ATOM 0 HG2 GLN A 120 14.750 5.171 22.608 1.00 71.05 H new ATOM 0 HG3 GLN A 120 14.091 5.921 21.168 1.00 71.05 H new ATOM 0 HE21 GLN A 120 15.568 6.952 24.296 1.00 65.13 H new ATOM 0 HE22 GLN A 120 16.643 8.158 23.580 1.00 65.13 H new ATOM 1892 N GLN A 121 11.342 4.078 22.165 1.00 53.25 N ATOM 1893 CA GLN A 121 11.199 2.741 21.597 1.00 63.44 C ATOM 1894 C GLN A 121 10.297 2.766 20.368 1.00 62.25 C ATOM 1895 O GLN A 121 10.559 2.080 19.380 1.00 62.02 O ATOM 1896 CB GLN A 121 10.633 1.779 22.642 1.00 53.11 C ATOM 1897 CG GLN A 121 11.692 0.929 23.326 1.00 11.24 C ATOM 1898 CD GLN A 121 11.807 -0.457 22.722 1.00 41.04 C ATOM 1899 OE1 GLN A 121 11.306 -0.714 21.627 1.00 65.31 O ATOM 1900 NE2 GLN A 121 12.469 -1.360 23.437 1.00 4.14 N ATOM 0 H GLN A 121 11.132 4.138 23.161 1.00 53.25 H new ATOM 0 HA GLN A 121 12.186 2.394 21.292 1.00 63.44 H new ATOM 0 HB2 GLN A 121 10.096 2.352 23.398 1.00 53.11 H new ATOM 0 HB3 GLN A 121 9.906 1.123 22.163 1.00 53.11 H new ATOM 0 HG2 GLN A 121 12.656 1.432 23.258 1.00 11.24 H new ATOM 0 HG3 GLN A 121 11.453 0.841 24.386 1.00 11.24 H new ATOM 0 HE21 GLN A 121 12.868 -1.103 24.340 1.00 4.14 H new ATOM 0 HE22 GLN A 121 12.578 -2.310 23.083 1.00 4.14 H new ATOM 1909 N SER A 122 9.234 3.560 20.437 1.00 24.14 N ATOM 1910 CA SER A 122 8.291 3.671 19.331 1.00 33.42 C ATOM 1911 C SER A 122 8.980 4.207 18.080 1.00 22.54 C ATOM 1912 O SER A 122 8.652 3.815 16.960 1.00 12.31 O ATOM 1913 CB SER A 122 7.125 4.584 19.716 1.00 33.32 C ATOM 1914 OG SER A 122 5.917 4.152 19.113 1.00 42.33 O ATOM 0 H SER A 122 9.004 4.136 21.247 1.00 24.14 H new ATOM 0 HA SER A 122 7.906 2.675 19.114 1.00 33.42 H new ATOM 0 HB2 SER A 122 7.010 4.595 20.800 1.00 33.32 H new ATOM 0 HB3 SER A 122 7.343 5.607 19.408 1.00 33.32 H new ATOM 0 HG SER A 122 5.187 4.751 19.376 1.00 42.33 H new ATOM 1920 N ILE A 123 9.935 5.109 18.280 1.00 2.35 N ATOM 1921 CA ILE A 123 10.672 5.699 17.169 1.00 22.02 C ATOM 1922 C ILE A 123 11.493 4.647 16.432 1.00 42.24 C ATOM 1923 O ILE A 123 11.576 4.658 15.205 1.00 23.31 O ATOM 1924 CB ILE A 123 11.610 6.823 17.650 1.00 54.43 C ATOM 1925 CG1 ILE A 123 10.822 7.875 18.432 1.00 65.32 C ATOM 1926 CG2 ILE A 123 12.324 7.458 16.467 1.00 2.34 C ATOM 1927 CD1 ILE A 123 11.692 8.961 19.027 1.00 21.13 C ATOM 0 H ILE A 123 10.216 5.447 19.200 1.00 2.35 H new ATOM 0 HA ILE A 123 9.932 6.120 16.488 1.00 22.02 H new ATOM 0 HB ILE A 123 12.360 6.392 18.313 1.00 54.43 H new ATOM 0 HG12 ILE A 123 10.086 8.332 17.771 1.00 65.32 H new ATOM 0 HG13 ILE A 123 10.270 7.383 19.233 1.00 65.32 H new ATOM 0 HG21 ILE A 123 12.983 8.250 16.822 1.00 2.34 H new ATOM 0 HG22 ILE A 123 12.913 6.701 15.949 1.00 2.34 H new ATOM 0 HG23 ILE A 123 11.589 7.878 15.781 1.00 2.34 H new ATOM 0 HD11 ILE A 123 11.067 9.672 19.567 1.00 21.13 H new ATOM 0 HD12 ILE A 123 12.412 8.515 19.714 1.00 21.13 H new ATOM 0 HD13 ILE A 123 12.224 9.479 18.229 1.00 21.13 H new ATOM 1939 N GLU A 124 12.096 3.737 17.191 1.00 43.43 N ATOM 1940 CA GLU A 124 12.910 2.676 16.609 1.00 41.34 C ATOM 1941 C GLU A 124 12.071 1.782 15.702 1.00 54.31 C ATOM 1942 O GLU A 124 12.521 1.365 14.635 1.00 14.45 O ATOM 1943 CB GLU A 124 13.558 1.837 17.712 1.00 40.32 C ATOM 1944 CG GLU A 124 14.929 1.298 17.341 1.00 43.42 C ATOM 1945 CD GLU A 124 15.610 0.587 18.495 1.00 21.44 C ATOM 1946 OE1 GLU A 124 14.936 -0.209 19.182 1.00 63.13 O ATOM 1947 OE2 GLU A 124 16.816 0.829 18.711 1.00 11.21 O ATOM 0 H GLU A 124 12.036 3.713 18.209 1.00 43.43 H new ATOM 0 HA GLU A 124 13.692 3.141 16.009 1.00 41.34 H new ATOM 0 HB2 GLU A 124 13.647 2.444 18.613 1.00 40.32 H new ATOM 0 HB3 GLU A 124 12.902 1.001 17.954 1.00 40.32 H new ATOM 0 HG2 GLU A 124 14.829 0.608 16.503 1.00 43.42 H new ATOM 0 HG3 GLU A 124 15.559 2.121 17.004 1.00 43.42 H new ATOM 1954 N ARG A 125 10.848 1.492 16.134 1.00 0.51 N ATOM 1955 CA ARG A 125 9.945 0.646 15.362 1.00 42.34 C ATOM 1956 C ARG A 125 9.679 1.249 13.986 1.00 41.54 C ATOM 1957 O ARG A 125 9.762 0.559 12.968 1.00 1.13 O ATOM 1958 CB ARG A 125 8.626 0.456 16.111 1.00 73.01 C ATOM 1959 CG ARG A 125 8.795 -0.128 17.505 1.00 31.33 C ATOM 1960 CD ARG A 125 7.641 -1.052 17.866 1.00 4.54 C ATOM 1961 NE ARG A 125 7.094 -0.755 19.186 1.00 61.30 N ATOM 1962 CZ ARG A 125 7.657 -1.155 20.322 1.00 34.15 C ATOM 1963 NH1 ARG A 125 8.776 -1.865 20.296 1.00 70.43 N ATOM 1964 NH2 ARG A 125 7.098 -0.845 21.485 1.00 12.23 N ATOM 0 H ARG A 125 10.460 1.830 17.014 1.00 0.51 H new ATOM 0 HA ARG A 125 10.422 -0.325 15.228 1.00 42.34 H new ATOM 0 HB2 ARG A 125 8.120 1.418 16.188 1.00 73.01 H new ATOM 0 HB3 ARG A 125 7.978 -0.199 15.528 1.00 73.01 H new ATOM 0 HG2 ARG A 125 9.734 -0.679 17.558 1.00 31.33 H new ATOM 0 HG3 ARG A 125 8.857 0.680 18.234 1.00 31.33 H new ATOM 0 HD2 ARG A 125 6.854 -0.958 17.118 1.00 4.54 H new ATOM 0 HD3 ARG A 125 7.983 -2.087 17.840 1.00 4.54 H new ATOM 0 HE ARG A 125 6.233 -0.211 19.240 1.00 61.30 H new ATOM 0 HH11 ARG A 125 9.207 -2.105 19.403 1.00 70.43 H new ATOM 0 HH12 ARG A 125 9.206 -2.171 21.169 1.00 70.43 H new ATOM 0 HH21 ARG A 125 6.236 -0.300 21.507 1.00 12.23 H new ATOM 0 HH22 ARG A 125 7.530 -1.152 22.356 1.00 12.23 H new ATOM 1978 N LEU A 126 9.360 2.538 13.963 1.00 11.53 N ATOM 1979 CA LEU A 126 9.082 3.234 12.711 1.00 22.30 C ATOM 1980 C LEU A 126 10.361 3.442 11.907 1.00 1.33 C ATOM 1981 O LEU A 126 10.343 3.420 10.674 1.00 65.45 O ATOM 1982 CB LEU A 126 8.418 4.583 12.992 1.00 61.50 C ATOM 1983 CG LEU A 126 7.282 4.572 14.016 1.00 21.44 C ATOM 1984 CD1 LEU A 126 6.977 5.985 14.489 1.00 42.13 C ATOM 1985 CD2 LEU A 126 6.038 3.925 13.425 1.00 12.12 C ATOM 0 H LEU A 126 9.287 3.122 14.796 1.00 11.53 H new ATOM 0 HA LEU A 126 8.403 2.616 12.124 1.00 22.30 H new ATOM 0 HB2 LEU A 126 9.184 5.278 13.337 1.00 61.50 H new ATOM 0 HB3 LEU A 126 8.030 4.977 12.053 1.00 61.50 H new ATOM 0 HG LEU A 126 7.599 3.983 14.877 1.00 21.44 H new ATOM 0 HD11 LEU A 126 6.166 5.958 15.217 1.00 42.13 H new ATOM 0 HD12 LEU A 126 7.866 6.414 14.952 1.00 42.13 H new ATOM 0 HD13 LEU A 126 6.680 6.597 13.638 1.00 42.13 H new ATOM 0 HD21 LEU A 126 5.240 3.926 14.167 1.00 12.12 H new ATOM 0 HD22 LEU A 126 5.718 4.487 12.547 1.00 12.12 H new ATOM 0 HD23 LEU A 126 6.264 2.899 13.136 1.00 12.12 H new ATOM 1997 N LEU A 127 11.470 3.640 12.610 1.00 10.13 N ATOM 1998 CA LEU A 127 12.760 3.849 11.962 1.00 45.41 C ATOM 1999 C LEU A 127 13.093 2.692 11.025 1.00 14.33 C ATOM 2000 O LEU A 127 13.407 2.899 9.852 1.00 71.34 O ATOM 2001 CB LEU A 127 13.862 4.002 13.012 1.00 0.13 C ATOM 2002 CG LEU A 127 14.569 5.358 13.050 1.00 50.32 C ATOM 2003 CD1 LEU A 127 15.657 5.362 14.113 1.00 11.22 C ATOM 2004 CD2 LEU A 127 15.152 5.694 11.685 1.00 14.42 C ATOM 0 H LEU A 127 11.502 3.660 13.629 1.00 10.13 H new ATOM 0 HA LEU A 127 12.698 4.764 11.373 1.00 45.41 H new ATOM 0 HB2 LEU A 127 13.429 3.813 13.994 1.00 0.13 H new ATOM 0 HB3 LEU A 127 14.611 3.229 12.839 1.00 0.13 H new ATOM 0 HG LEU A 127 13.836 6.122 13.307 1.00 50.32 H new ATOM 0 HD11 LEU A 127 16.149 6.334 14.126 1.00 11.22 H new ATOM 0 HD12 LEU A 127 15.213 5.167 15.089 1.00 11.22 H new ATOM 0 HD13 LEU A 127 16.390 4.587 13.887 1.00 11.22 H new ATOM 0 HD21 LEU A 127 15.651 6.662 11.731 1.00 14.42 H new ATOM 0 HD22 LEU A 127 15.872 4.928 11.398 1.00 14.42 H new ATOM 0 HD23 LEU A 127 14.351 5.733 10.947 1.00 14.42 H new