USER MOD reduce.3.24.130724 H: found=0, std=0, add=1136, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1136 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 92 LYS NZ :NH3+ -155:sc= 0.127 (180deg=0.0335) USER MOD Set 1.2: A 180 SER OG : rot -67:sc= 0.885 USER MOD Set 2.1: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 106 TYR OH : rot 40:sc= 1.92 USER MOD Set 3.1: A 90 LYS NZ :NH3+ -131:sc= 0.533 (180deg=-1.34!) USER MOD Set 3.2: A 109 GLN : amide:sc= -0.561 K(o=-0.028,f=-8.6!) USER MOD Set 4.1: A 40 TYR OH : rot 108:sc= -0.847 USER MOD Set 4.2: A 103 GLN : amide:sc= -3.43 X(o=-5.1,f=-4.8!) USER MOD Set 4.3: A 107 LYS NZ :NH3+ -158:sc= -0.81 (180deg=-0.702) USER MOD Set 5.1: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 91 MET CE :methyl -150:sc= -2.67 (180deg=-5.25!) USER MOD Set 5.3: A 110 MET CE :methyl -138:sc= -2.64 (180deg=-4.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 97:sc= 0.273 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.548 USER MOD Single : A 30 SER OG : rot -80:sc= -0.127 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0725 X(o=-0.073,f=0) USER MOD Single : A 43 MET CE :methyl -140:sc= -0.564 (180deg=-4.48!) USER MOD Single : A 45 LYS NZ :NH3+ -145:sc= -0.157 (180deg=-0.871) USER MOD Single : A 53 THR OG1 : rot 85:sc= 1.31 USER MOD Single : A 57 THR OG1 : rot 79:sc= -0.09 USER MOD Single : A 61 SER OG : rot -170:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -62:sc= 0.119 USER MOD Single : A 70 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-1.5) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.0784 X(o=-0.078,f=-0.11) USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0509) USER MOD Single : A 81 ASN : amide:sc= -1.91! K(o=-1.9!,f=0.34) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.736 K(o=-0.74,f=-0.19) USER MOD Single : A 95 GLN : amide:sc= -0.0203 K(o=-0.02,f=-0.76) USER MOD Single : A 96 GLN : amide:sc= -0.658 K(o=-0.66,f=0.2) USER MOD Single : A 99 MET CE :methyl -119:sc= -0.854 (180deg=-4.85!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.058 USER MOD Single : A 101 SER OG : rot 62:sc= 0.454 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0911 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.31) USER MOD Single : A 130 GLN : amide:sc= -0.0333 X(o=-0.033,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 MET CE :methyl 170:sc= -0.0189 (180deg=-0.227) USER MOD Single : A 137 SER OG : rot -71:sc= 0.438 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 MET CE :methyl -108:sc= -0.0797 (180deg=-0.225) USER MOD Single : A 182 SER OG : rot 79:sc= 0.056 USER MOD ----------------------------------------------------------------- ATOM 122 N ASP A 12 5.027 12.253 -12.859 1.00 72.11 N ATOM 123 CA ASP A 12 4.040 13.179 -13.404 1.00 25.22 C ATOM 124 C ASP A 12 4.208 14.569 -12.799 1.00 0.12 C ATOM 125 O ASP A 12 3.866 15.575 -13.422 1.00 33.45 O ATOM 126 CB ASP A 12 2.625 12.662 -13.141 1.00 41.04 C ATOM 127 CG ASP A 12 1.820 12.505 -14.417 1.00 25.23 C ATOM 128 OD1 ASP A 12 2.232 11.705 -15.283 1.00 72.04 O ATOM 129 OD2 ASP A 12 0.779 13.181 -14.548 1.00 30.13 O ATOM 0 HA ASP A 12 4.198 13.249 -14.480 1.00 25.22 H new ATOM 0 HB2 ASP A 12 2.681 11.701 -12.630 1.00 41.04 H new ATOM 0 HB3 ASP A 12 2.109 13.350 -12.471 1.00 41.04 H new ATOM 134 N LYS A 13 4.736 14.619 -11.581 1.00 20.15 N ATOM 135 CA LYS A 13 4.950 15.885 -10.890 1.00 13.21 C ATOM 136 C LYS A 13 6.021 16.714 -11.592 1.00 30.32 C ATOM 137 O LYS A 13 5.934 17.940 -11.647 1.00 50.44 O ATOM 138 CB LYS A 13 5.355 15.634 -9.436 1.00 2.53 C ATOM 139 CG LYS A 13 5.904 16.866 -8.736 1.00 63.15 C ATOM 140 CD LYS A 13 5.281 17.052 -7.363 1.00 70.13 C ATOM 141 CE LYS A 13 6.091 18.015 -6.509 1.00 25.40 C ATOM 142 NZ LYS A 13 6.350 17.466 -5.149 1.00 12.43 N ATOM 0 H LYS A 13 5.024 13.796 -11.051 1.00 20.15 H new ATOM 0 HA LYS A 13 4.014 16.443 -10.908 1.00 13.21 H new ATOM 0 HB2 LYS A 13 4.489 15.269 -8.884 1.00 2.53 H new ATOM 0 HB3 LYS A 13 6.107 14.845 -9.408 1.00 2.53 H new ATOM 0 HG2 LYS A 13 6.986 16.777 -8.637 1.00 63.15 H new ATOM 0 HG3 LYS A 13 5.711 17.748 -9.346 1.00 63.15 H new ATOM 0 HD2 LYS A 13 4.264 17.428 -7.472 1.00 70.13 H new ATOM 0 HD3 LYS A 13 5.212 16.088 -6.860 1.00 70.13 H new ATOM 0 HE2 LYS A 13 7.040 18.228 -7.002 1.00 25.40 H new ATOM 0 HE3 LYS A 13 5.557 18.962 -6.423 1.00 25.40 H new ATOM 0 HZ1 LYS A 13 6.905 18.152 -4.598 1.00 12.43 H new ATOM 0 HZ2 LYS A 13 5.445 17.287 -4.669 1.00 12.43 H new ATOM 0 HZ3 LYS A 13 6.882 16.576 -5.229 1.00 12.43 H new ATOM 156 N VAL A 14 7.031 16.035 -12.128 1.00 54.30 N ATOM 157 CA VAL A 14 8.117 16.709 -12.829 1.00 24.21 C ATOM 158 C VAL A 14 7.591 17.523 -14.006 1.00 24.42 C ATOM 159 O VAL A 14 7.898 18.707 -14.141 1.00 41.34 O ATOM 160 CB VAL A 14 9.164 15.702 -13.342 1.00 74.51 C ATOM 161 CG1 VAL A 14 10.379 16.429 -13.895 1.00 43.33 C ATOM 162 CG2 VAL A 14 9.566 14.741 -12.234 1.00 30.45 C ATOM 0 H VAL A 14 7.119 15.020 -12.090 1.00 54.30 H new ATOM 0 HA VAL A 14 8.589 17.379 -12.111 1.00 24.21 H new ATOM 0 HB VAL A 14 8.719 15.122 -14.151 1.00 74.51 H new ATOM 0 HG11 VAL A 14 11.107 15.701 -14.252 1.00 43.33 H new ATOM 0 HG12 VAL A 14 10.074 17.072 -14.720 1.00 43.33 H new ATOM 0 HG13 VAL A 14 10.829 17.036 -13.109 1.00 43.33 H new ATOM 0 HG21 VAL A 14 10.306 14.037 -12.614 1.00 30.45 H new ATOM 0 HG22 VAL A 14 9.992 15.302 -11.403 1.00 30.45 H new ATOM 0 HG23 VAL A 14 8.688 14.194 -11.890 1.00 30.45 H new ATOM 172 N TYR A 15 6.797 16.879 -14.855 1.00 4.54 N ATOM 173 CA TYR A 15 6.230 17.543 -16.022 1.00 74.02 C ATOM 174 C TYR A 15 5.150 18.540 -15.611 1.00 45.01 C ATOM 175 O TYR A 15 4.680 19.332 -16.427 1.00 15.04 O ATOM 176 CB TYR A 15 5.645 16.511 -16.987 1.00 74.54 C ATOM 177 CG TYR A 15 5.136 17.109 -18.279 1.00 51.32 C ATOM 178 CD1 TYR A 15 5.889 18.045 -18.978 1.00 20.02 C ATOM 179 CD2 TYR A 15 3.902 16.740 -18.801 1.00 1.44 C ATOM 180 CE1 TYR A 15 5.428 18.595 -20.158 1.00 41.42 C ATOM 181 CE2 TYR A 15 3.434 17.284 -19.981 1.00 10.41 C ATOM 182 CZ TYR A 15 4.200 18.212 -20.656 1.00 24.51 C ATOM 183 OH TYR A 15 3.737 18.757 -21.831 1.00 71.22 O ATOM 0 H TYR A 15 6.532 15.899 -14.757 1.00 4.54 H new ATOM 0 HA TYR A 15 7.030 18.088 -16.523 1.00 74.02 H new ATOM 0 HB2 TYR A 15 6.408 15.767 -17.217 1.00 74.54 H new ATOM 0 HB3 TYR A 15 4.827 15.986 -16.493 1.00 74.54 H new ATOM 0 HD1 TYR A 15 6.851 18.347 -18.592 1.00 20.02 H new ATOM 0 HD2 TYR A 15 3.299 16.015 -18.275 1.00 1.44 H new ATOM 0 HE1 TYR A 15 6.026 19.321 -20.688 1.00 41.42 H new ATOM 0 HE2 TYR A 15 2.473 16.985 -20.373 1.00 10.41 H new ATOM 0 HH TYR A 15 2.858 18.380 -22.042 1.00 71.22 H new ATOM 193 N GLU A 16 4.765 18.494 -14.340 1.00 12.03 N ATOM 194 CA GLU A 16 3.741 19.393 -13.820 1.00 22.04 C ATOM 195 C GLU A 16 4.367 20.675 -13.279 1.00 2.33 C ATOM 196 O GLU A 16 4.092 21.768 -13.771 1.00 51.42 O ATOM 197 CB GLU A 16 2.936 18.701 -12.718 1.00 13.42 C ATOM 198 CG GLU A 16 1.913 17.708 -13.244 1.00 2.05 C ATOM 199 CD GLU A 16 1.551 16.648 -12.222 1.00 32.14 C ATOM 200 OE1 GLU A 16 1.635 16.938 -11.010 1.00 60.40 O ATOM 201 OE2 GLU A 16 1.183 15.528 -12.635 1.00 15.25 O ATOM 0 H GLU A 16 5.146 17.845 -13.652 1.00 12.03 H new ATOM 0 HA GLU A 16 3.072 19.654 -14.640 1.00 22.04 H new ATOM 0 HB2 GLU A 16 3.623 18.182 -12.049 1.00 13.42 H new ATOM 0 HB3 GLU A 16 2.423 19.458 -12.124 1.00 13.42 H new ATOM 0 HG2 GLU A 16 1.012 18.244 -13.541 1.00 2.05 H new ATOM 0 HG3 GLU A 16 2.307 17.226 -14.139 1.00 2.05 H new ATOM 208 N ASN A 17 5.210 20.532 -12.261 1.00 65.34 N ATOM 209 CA ASN A 17 5.875 21.678 -11.652 1.00 21.10 C ATOM 210 C ASN A 17 6.568 22.531 -12.710 1.00 63.32 C ATOM 211 O ASN A 17 6.471 23.758 -12.695 1.00 63.15 O ATOM 212 CB ASN A 17 6.894 21.209 -10.611 1.00 53.11 C ATOM 213 CG ASN A 17 6.480 21.565 -9.196 1.00 41.01 C ATOM 214 OD1 ASN A 17 7.144 22.354 -8.524 1.00 14.34 O ATOM 215 ND2 ASN A 17 5.378 20.982 -8.738 1.00 4.33 N ATOM 0 H ASN A 17 5.449 19.634 -11.841 1.00 65.34 H new ATOM 0 HA ASN A 17 5.117 22.287 -11.160 1.00 21.10 H new ATOM 0 HB2 ASN A 17 7.019 20.129 -10.689 1.00 53.11 H new ATOM 0 HB3 ASN A 17 7.863 21.658 -10.827 1.00 53.11 H new ATOM 0 HD21 ASN A 17 5.050 21.182 -7.793 1.00 4.33 H new ATOM 0 HD22 ASN A 17 4.859 20.334 -9.331 1.00 4.33 H new ATOM 222 N VAL A 18 7.268 21.872 -13.628 1.00 71.45 N ATOM 223 CA VAL A 18 7.976 22.568 -14.696 1.00 2.34 C ATOM 224 C VAL A 18 7.048 23.522 -15.440 1.00 23.21 C ATOM 225 O VAL A 18 7.496 24.495 -16.048 1.00 23.50 O ATOM 226 CB VAL A 18 8.590 21.577 -15.702 1.00 3.00 C ATOM 227 CG1 VAL A 18 9.706 20.775 -15.049 1.00 50.41 C ATOM 228 CG2 VAL A 18 7.518 20.655 -16.263 1.00 1.20 C ATOM 0 H VAL A 18 7.360 20.856 -13.653 1.00 71.45 H new ATOM 0 HA VAL A 18 8.777 23.138 -14.225 1.00 2.34 H new ATOM 0 HB VAL A 18 9.018 22.144 -16.528 1.00 3.00 H new ATOM 0 HG11 VAL A 18 10.128 20.080 -15.775 1.00 50.41 H new ATOM 0 HG12 VAL A 18 10.485 21.453 -14.700 1.00 50.41 H new ATOM 0 HG13 VAL A 18 9.306 20.217 -14.203 1.00 50.41 H new ATOM 0 HG21 VAL A 18 7.970 19.961 -16.972 1.00 1.20 H new ATOM 0 HG22 VAL A 18 7.058 20.094 -15.449 1.00 1.20 H new ATOM 0 HG23 VAL A 18 6.757 21.248 -16.770 1.00 1.20 H new ATOM 238 N THR A 19 5.751 23.237 -15.388 1.00 14.21 N ATOM 239 CA THR A 19 4.758 24.069 -16.057 1.00 64.44 C ATOM 240 C THR A 19 4.086 25.021 -15.075 1.00 61.02 C ATOM 241 O THR A 19 3.987 26.221 -15.328 1.00 22.11 O ATOM 242 CB THR A 19 3.679 23.211 -16.745 1.00 13.45 C ATOM 243 OG1 THR A 19 4.294 22.166 -17.506 1.00 11.31 O ATOM 244 CG2 THR A 19 2.809 24.065 -17.655 1.00 71.33 C ATOM 0 H THR A 19 5.363 22.436 -14.889 1.00 14.21 H new ATOM 0 HA THR A 19 5.288 24.648 -16.813 1.00 64.44 H new ATOM 0 HB THR A 19 3.048 22.772 -15.972 1.00 13.45 H new ATOM 0 HG1 THR A 19 4.304 21.340 -16.979 1.00 11.31 H new ATOM 0 HG21 THR A 19 2.054 23.438 -18.130 1.00 71.33 H new ATOM 0 HG22 THR A 19 2.319 24.840 -17.067 1.00 71.33 H new ATOM 0 HG23 THR A 19 3.430 24.529 -18.421 1.00 71.33 H new ATOM 252 N GLY A 20 3.625 24.478 -13.952 1.00 62.24 N ATOM 253 CA GLY A 20 2.968 25.294 -12.949 1.00 3.44 C ATOM 254 C GLY A 20 3.816 26.473 -12.515 1.00 4.45 C ATOM 255 O GLY A 20 3.369 27.620 -12.562 1.00 4.31 O ATOM 0 H GLY A 20 3.695 23.487 -13.720 1.00 62.24 H new ATOM 0 HA2 GLY A 20 2.020 25.658 -13.345 1.00 3.44 H new ATOM 0 HA3 GLY A 20 2.735 24.679 -12.080 1.00 3.44 H new ATOM 259 N LEU A 21 5.043 26.193 -12.089 1.00 31.34 N ATOM 260 CA LEU A 21 5.956 27.239 -11.642 1.00 40.22 C ATOM 261 C LEU A 21 6.065 28.348 -12.684 1.00 70.22 C ATOM 262 O LEU A 21 6.194 29.524 -12.344 1.00 25.22 O ATOM 263 CB LEU A 21 7.339 26.650 -11.361 1.00 5.43 C ATOM 264 CG LEU A 21 8.124 26.166 -12.581 1.00 12.51 C ATOM 265 CD1 LEU A 21 8.925 27.308 -13.187 1.00 62.14 C ATOM 266 CD2 LEU A 21 9.040 25.012 -12.202 1.00 74.45 C ATOM 0 H LEU A 21 5.429 25.250 -12.044 1.00 31.34 H new ATOM 0 HA LEU A 21 5.557 27.667 -10.723 1.00 40.22 H new ATOM 0 HB2 LEU A 21 7.935 27.404 -10.846 1.00 5.43 H new ATOM 0 HB3 LEU A 21 7.222 25.812 -10.674 1.00 5.43 H new ATOM 0 HG LEU A 21 7.415 25.810 -13.328 1.00 12.51 H new ATOM 0 HD11 LEU A 21 9.477 26.945 -14.054 1.00 62.14 H new ATOM 0 HD12 LEU A 21 8.247 28.104 -13.496 1.00 62.14 H new ATOM 0 HD13 LEU A 21 9.625 27.694 -12.446 1.00 62.14 H new ATOM 0 HD21 LEU A 21 9.591 24.680 -13.082 1.00 74.45 H new ATOM 0 HD22 LEU A 21 9.743 25.342 -11.437 1.00 74.45 H new ATOM 0 HD23 LEU A 21 8.443 24.186 -11.815 1.00 74.45 H new ATOM 278 N VAL A 22 6.010 27.965 -13.956 1.00 54.00 N ATOM 279 CA VAL A 22 6.099 28.927 -15.048 1.00 74.44 C ATOM 280 C VAL A 22 4.887 29.852 -15.066 1.00 4.32 C ATOM 281 O VAL A 22 5.021 31.065 -15.231 1.00 71.00 O ATOM 282 CB VAL A 22 6.209 28.219 -16.412 1.00 25.53 C ATOM 283 CG1 VAL A 22 6.219 29.236 -17.543 1.00 30.34 C ATOM 284 CG2 VAL A 22 7.454 27.345 -16.458 1.00 43.45 C ATOM 0 H VAL A 22 5.904 26.996 -14.255 1.00 54.00 H new ATOM 0 HA VAL A 22 7.000 29.516 -14.878 1.00 74.44 H new ATOM 0 HB VAL A 22 5.337 27.578 -16.541 1.00 25.53 H new ATOM 0 HG11 VAL A 22 6.297 28.717 -18.498 1.00 30.34 H new ATOM 0 HG12 VAL A 22 5.296 29.816 -17.519 1.00 30.34 H new ATOM 0 HG13 VAL A 22 7.071 29.905 -17.423 1.00 30.34 H new ATOM 0 HG21 VAL A 22 7.517 26.852 -17.428 1.00 43.45 H new ATOM 0 HG22 VAL A 22 8.339 27.964 -16.307 1.00 43.45 H new ATOM 0 HG23 VAL A 22 7.399 26.592 -15.671 1.00 43.45 H new ATOM 294 N LYS A 23 3.704 29.273 -14.894 1.00 23.44 N ATOM 295 CA LYS A 23 2.467 30.045 -14.887 1.00 63.53 C ATOM 296 C LYS A 23 2.563 31.218 -13.918 1.00 1.13 C ATOM 297 O LYS A 23 2.177 32.339 -14.246 1.00 11.51 O ATOM 298 CB LYS A 23 1.286 29.150 -14.506 1.00 74.25 C ATOM 299 CG LYS A 23 1.183 27.887 -15.345 1.00 5.41 C ATOM 300 CD LYS A 23 -0.193 27.254 -15.233 1.00 71.24 C ATOM 301 CE LYS A 23 -0.459 26.742 -13.826 1.00 62.20 C ATOM 302 NZ LYS A 23 -0.755 25.282 -13.813 1.00 42.43 N ATOM 0 H LYS A 23 3.575 28.270 -14.757 1.00 23.44 H new ATOM 0 HA LYS A 23 2.308 30.439 -15.891 1.00 63.53 H new ATOM 0 HB2 LYS A 23 1.376 28.872 -13.456 1.00 74.25 H new ATOM 0 HB3 LYS A 23 0.362 29.719 -14.607 1.00 74.25 H new ATOM 0 HG2 LYS A 23 1.392 28.124 -16.388 1.00 5.41 H new ATOM 0 HG3 LYS A 23 1.941 27.172 -15.023 1.00 5.41 H new ATOM 0 HD2 LYS A 23 -0.954 27.985 -15.505 1.00 71.24 H new ATOM 0 HD3 LYS A 23 -0.274 26.430 -15.942 1.00 71.24 H new ATOM 0 HE2 LYS A 23 0.408 26.942 -13.197 1.00 62.20 H new ATOM 0 HE3 LYS A 23 -1.299 27.287 -13.394 1.00 62.20 H new ATOM 0 HZ1 LYS A 23 -0.931 24.972 -12.836 1.00 42.43 H new ATOM 0 HZ2 LYS A 23 -1.598 25.093 -14.393 1.00 42.43 H new ATOM 0 HZ3 LYS A 23 0.056 24.760 -14.201 1.00 42.43 H new ATOM 316 N ALA A 24 3.082 30.952 -12.723 1.00 54.13 N ATOM 317 CA ALA A 24 3.231 31.987 -11.708 1.00 4.11 C ATOM 318 C ALA A 24 4.252 33.035 -12.138 1.00 63.23 C ATOM 319 O ALA A 24 4.042 34.234 -11.953 1.00 64.32 O ATOM 320 CB ALA A 24 3.636 31.368 -10.379 1.00 24.45 C ATOM 0 H ALA A 24 3.406 30.029 -12.435 1.00 54.13 H new ATOM 0 HA ALA A 24 2.268 32.484 -11.587 1.00 4.11 H new ATOM 0 HB1 ALA A 24 3.744 32.153 -9.630 1.00 24.45 H new ATOM 0 HB2 ALA A 24 2.870 30.662 -10.058 1.00 24.45 H new ATOM 0 HB3 ALA A 24 4.585 30.845 -10.496 1.00 24.45 H new ATOM 326 N VAL A 25 5.359 32.575 -12.713 1.00 61.12 N ATOM 327 CA VAL A 25 6.413 33.473 -13.170 1.00 71.34 C ATOM 328 C VAL A 25 5.851 34.566 -14.072 1.00 14.35 C ATOM 329 O VAL A 25 6.329 35.701 -14.060 1.00 32.02 O ATOM 330 CB VAL A 25 7.510 32.707 -13.934 1.00 2.52 C ATOM 331 CG1 VAL A 25 8.584 33.665 -14.428 1.00 21.24 C ATOM 332 CG2 VAL A 25 8.114 31.624 -13.053 1.00 63.14 C ATOM 0 H VAL A 25 5.549 31.586 -12.873 1.00 61.12 H new ATOM 0 HA VAL A 25 6.849 33.928 -12.281 1.00 71.34 H new ATOM 0 HB VAL A 25 7.058 32.227 -14.802 1.00 2.52 H new ATOM 0 HG11 VAL A 25 9.351 33.107 -14.965 1.00 21.24 H new ATOM 0 HG12 VAL A 25 8.136 34.401 -15.096 1.00 21.24 H new ATOM 0 HG13 VAL A 25 9.036 34.175 -13.577 1.00 21.24 H new ATOM 0 HG21 VAL A 25 8.887 31.093 -13.608 1.00 63.14 H new ATOM 0 HG22 VAL A 25 8.553 32.080 -12.165 1.00 63.14 H new ATOM 0 HG23 VAL A 25 7.335 30.922 -12.753 1.00 63.14 H new ATOM 342 N ILE A 26 4.833 34.218 -14.851 1.00 73.51 N ATOM 343 CA ILE A 26 4.204 35.170 -15.757 1.00 50.35 C ATOM 344 C ILE A 26 3.266 36.108 -15.005 1.00 73.12 C ATOM 345 O ILE A 26 3.421 37.327 -15.054 1.00 5.50 O ATOM 346 CB ILE A 26 3.413 34.453 -16.868 1.00 4.41 C ATOM 347 CG1 ILE A 26 4.288 33.396 -17.545 1.00 74.10 C ATOM 348 CG2 ILE A 26 2.903 35.459 -17.889 1.00 2.52 C ATOM 349 CD1 ILE A 26 3.576 32.635 -18.642 1.00 14.33 C ATOM 0 H ILE A 26 4.426 33.283 -14.873 1.00 73.51 H new ATOM 0 HA ILE A 26 5.007 35.750 -16.211 1.00 50.35 H new ATOM 0 HB ILE A 26 2.554 33.954 -16.419 1.00 4.41 H new ATOM 0 HG12 ILE A 26 5.170 33.880 -17.963 1.00 74.10 H new ATOM 0 HG13 ILE A 26 4.639 32.690 -16.792 1.00 74.10 H new ATOM 0 HG21 ILE A 26 2.346 34.937 -18.667 1.00 2.52 H new ATOM 0 HG22 ILE A 26 2.249 36.178 -17.396 1.00 2.52 H new ATOM 0 HG23 ILE A 26 3.747 35.983 -18.336 1.00 2.52 H new ATOM 0 HD11 ILE A 26 4.256 31.903 -19.077 1.00 14.33 H new ATOM 0 HD12 ILE A 26 2.709 32.122 -18.225 1.00 14.33 H new ATOM 0 HD13 ILE A 26 3.249 33.331 -19.415 1.00 14.33 H new ATOM 361 N GLU A 27 2.293 35.529 -14.309 1.00 34.14 N ATOM 362 CA GLU A 27 1.330 36.314 -13.545 1.00 32.31 C ATOM 363 C GLU A 27 2.041 37.297 -12.620 1.00 41.31 C ATOM 364 O GLU A 27 1.812 38.505 -12.687 1.00 31.55 O ATOM 365 CB GLU A 27 0.422 35.393 -12.727 1.00 21.32 C ATOM 366 CG GLU A 27 -0.968 35.228 -13.317 1.00 34.12 C ATOM 367 CD GLU A 27 -1.820 34.245 -12.537 1.00 71.12 C ATOM 368 OE1 GLU A 27 -1.268 33.233 -12.057 1.00 64.10 O ATOM 369 OE2 GLU A 27 -3.038 34.487 -12.408 1.00 32.05 O ATOM 0 H GLU A 27 2.151 34.520 -14.258 1.00 34.14 H new ATOM 0 HA GLU A 27 0.721 36.880 -14.250 1.00 32.31 H new ATOM 0 HB2 GLU A 27 0.892 34.413 -12.646 1.00 21.32 H new ATOM 0 HB3 GLU A 27 0.333 35.789 -11.715 1.00 21.32 H new ATOM 0 HG2 GLU A 27 -1.466 36.197 -13.339 1.00 34.12 H new ATOM 0 HG3 GLU A 27 -0.883 34.889 -14.350 1.00 34.12 H new ATOM 376 N MET A 28 2.905 36.771 -11.758 1.00 35.12 N ATOM 377 CA MET A 28 3.650 37.602 -10.820 1.00 0.14 C ATOM 378 C MET A 28 4.458 38.665 -11.558 1.00 20.50 C ATOM 379 O MET A 28 4.644 39.774 -11.059 1.00 52.42 O ATOM 380 CB MET A 28 4.581 36.737 -9.967 1.00 51.54 C ATOM 381 CG MET A 28 5.780 36.200 -10.732 1.00 31.24 C ATOM 382 SD MET A 28 7.247 37.231 -10.537 1.00 75.43 S ATOM 383 CE MET A 28 8.143 36.312 -9.288 1.00 61.33 C ATOM 0 H MET A 28 3.106 35.773 -11.690 1.00 35.12 H new ATOM 0 HA MET A 28 2.934 38.103 -10.169 1.00 0.14 H new ATOM 0 HB2 MET A 28 4.934 37.324 -9.119 1.00 51.54 H new ATOM 0 HB3 MET A 28 4.014 35.899 -9.560 1.00 51.54 H new ATOM 0 HG2 MET A 28 6.002 35.190 -10.389 1.00 31.24 H new ATOM 0 HG3 MET A 28 5.529 36.129 -11.790 1.00 31.24 H new ATOM 0 HE1 MET A 28 9.077 36.825 -9.059 1.00 61.33 H new ATOM 0 HE2 MET A 28 7.537 36.240 -8.385 1.00 61.33 H new ATOM 0 HE3 MET A 28 8.361 35.311 -9.659 1.00 61.33 H new ATOM 393 N SER A 29 4.936 38.317 -12.748 1.00 63.14 N ATOM 394 CA SER A 29 5.728 39.240 -13.553 1.00 70.34 C ATOM 395 C SER A 29 4.878 40.415 -14.027 1.00 33.33 C ATOM 396 O SER A 29 5.400 41.478 -14.362 1.00 31.13 O ATOM 397 CB SER A 29 6.329 38.513 -14.758 1.00 20.42 C ATOM 398 OG SER A 29 6.450 39.382 -15.870 1.00 43.31 O ATOM 0 H SER A 29 4.789 37.403 -13.176 1.00 63.14 H new ATOM 0 HA SER A 29 6.535 39.625 -12.930 1.00 70.34 H new ATOM 0 HB2 SER A 29 7.309 38.116 -14.495 1.00 20.42 H new ATOM 0 HB3 SER A 29 5.701 37.663 -15.024 1.00 20.42 H new ATOM 0 HG SER A 29 6.838 38.894 -16.626 1.00 43.31 H new ATOM 404 N SER A 30 3.564 40.214 -14.051 1.00 51.33 N ATOM 405 CA SER A 30 2.640 41.255 -14.487 1.00 70.10 C ATOM 406 C SER A 30 2.422 42.285 -13.383 1.00 32.23 C ATOM 407 O SER A 30 2.465 43.491 -13.625 1.00 4.24 O ATOM 408 CB SER A 30 1.301 40.639 -14.897 1.00 61.31 C ATOM 409 OG SER A 30 0.292 40.933 -13.947 1.00 31.33 O ATOM 0 H SER A 30 3.116 39.341 -13.774 1.00 51.33 H new ATOM 0 HA SER A 30 3.079 41.759 -15.348 1.00 70.10 H new ATOM 0 HB2 SER A 30 1.006 41.020 -15.875 1.00 61.31 H new ATOM 0 HB3 SER A 30 1.409 39.559 -14.995 1.00 61.31 H new ATOM 0 HG SER A 30 0.369 40.319 -13.187 1.00 31.33 H new ATOM 415 N LYS A 31 2.186 41.800 -12.168 1.00 64.33 N ATOM 416 CA LYS A 31 1.962 42.675 -11.024 1.00 42.43 C ATOM 417 C LYS A 31 3.221 42.788 -10.170 1.00 31.40 C ATOM 418 O LYS A 31 3.158 43.177 -9.003 1.00 74.34 O ATOM 419 CB LYS A 31 0.802 42.152 -10.175 1.00 54.21 C ATOM 420 CG LYS A 31 1.049 40.772 -9.591 1.00 1.10 C ATOM 421 CD LYS A 31 -0.027 39.786 -10.013 1.00 55.54 C ATOM 422 CE LYS A 31 -0.228 38.699 -8.969 1.00 52.01 C ATOM 423 NZ LYS A 31 -1.408 38.973 -8.103 1.00 32.11 N ATOM 0 H LYS A 31 2.145 40.804 -11.951 1.00 64.33 H new ATOM 0 HA LYS A 31 1.710 43.666 -11.401 1.00 42.43 H new ATOM 0 HB2 LYS A 31 0.613 42.853 -9.362 1.00 54.21 H new ATOM 0 HB3 LYS A 31 -0.100 42.122 -10.786 1.00 54.21 H new ATOM 0 HG2 LYS A 31 2.024 40.408 -9.915 1.00 1.10 H new ATOM 0 HG3 LYS A 31 1.078 40.836 -8.503 1.00 1.10 H new ATOM 0 HD2 LYS A 31 -0.966 40.317 -10.173 1.00 55.54 H new ATOM 0 HD3 LYS A 31 0.248 39.331 -10.965 1.00 55.54 H new ATOM 0 HE2 LYS A 31 -0.358 37.738 -9.466 1.00 52.01 H new ATOM 0 HE3 LYS A 31 0.666 38.620 -8.350 1.00 52.01 H new ATOM 0 HZ1 LYS A 31 -1.511 38.209 -7.405 1.00 32.11 H new ATOM 0 HZ2 LYS A 31 -1.273 39.878 -7.609 1.00 32.11 H new ATOM 0 HZ3 LYS A 31 -2.265 39.023 -8.690 1.00 32.11 H new ATOM 437 N ILE A 32 4.362 42.446 -10.758 1.00 61.14 N ATOM 438 CA ILE A 32 5.635 42.511 -10.051 1.00 40.22 C ATOM 439 C ILE A 32 5.943 43.936 -9.603 1.00 53.14 C ATOM 440 O ILE A 32 6.432 44.156 -8.496 1.00 1.40 O ATOM 441 CB ILE A 32 6.793 41.999 -10.928 1.00 41.30 C ATOM 442 CG1 ILE A 32 8.118 42.099 -10.170 1.00 4.01 C ATOM 443 CG2 ILE A 32 6.860 42.786 -12.229 1.00 22.33 C ATOM 444 CD1 ILE A 32 8.911 40.811 -10.166 1.00 73.50 C ATOM 0 H ILE A 32 4.431 42.121 -11.722 1.00 61.14 H new ATOM 0 HA ILE A 32 5.542 41.869 -9.175 1.00 40.22 H new ATOM 0 HB ILE A 32 6.612 40.951 -11.169 1.00 41.30 H new ATOM 0 HG12 ILE A 32 8.724 42.888 -10.616 1.00 4.01 H new ATOM 0 HG13 ILE A 32 7.917 42.395 -9.141 1.00 4.01 H new ATOM 0 HG21 ILE A 32 7.683 42.413 -12.838 1.00 22.33 H new ATOM 0 HG22 ILE A 32 5.923 42.669 -12.774 1.00 22.33 H new ATOM 0 HG23 ILE A 32 7.022 43.841 -12.008 1.00 22.33 H new ATOM 0 HD11 ILE A 32 9.838 40.956 -9.611 1.00 73.50 H new ATOM 0 HD12 ILE A 32 8.324 40.024 -9.693 1.00 73.50 H new ATOM 0 HD13 ILE A 32 9.144 40.524 -11.191 1.00 73.50 H new ATOM 456 N GLN A 33 5.651 44.899 -10.471 1.00 55.43 N ATOM 457 CA GLN A 33 5.895 46.304 -10.164 1.00 61.41 C ATOM 458 C GLN A 33 5.093 46.741 -8.943 1.00 41.40 C ATOM 459 O GLN A 33 5.645 47.146 -7.920 1.00 3.13 O ATOM 460 CB GLN A 33 5.537 47.180 -11.365 1.00 51.24 C ATOM 461 CG GLN A 33 6.748 47.756 -12.081 1.00 62.01 C ATOM 462 CD GLN A 33 6.411 48.295 -13.457 1.00 63.25 C ATOM 463 OE1 GLN A 33 7.123 48.038 -14.429 1.00 3.03 O ATOM 464 NE2 GLN A 33 5.321 49.047 -13.548 1.00 74.35 N ATOM 0 H GLN A 33 5.245 44.733 -11.392 1.00 55.43 H new ATOM 0 HA GLN A 33 6.955 46.423 -9.941 1.00 61.41 H new ATOM 0 HB2 GLN A 33 4.953 46.591 -12.072 1.00 51.24 H new ATOM 0 HB3 GLN A 33 4.900 47.999 -11.030 1.00 51.24 H new ATOM 0 HG2 GLN A 33 7.176 48.556 -11.477 1.00 62.01 H new ATOM 0 HG3 GLN A 33 7.511 46.984 -12.175 1.00 62.01 H new ATOM 0 HE21 GLN A 33 4.760 49.235 -12.717 1.00 74.35 H new ATOM 0 HE22 GLN A 33 5.044 49.437 -14.449 1.00 74.35 H new ATOM 473 N PRO A 34 3.759 46.660 -9.051 1.00 34.04 N ATOM 474 CA PRO A 34 2.852 47.043 -7.964 1.00 50.44 C ATOM 475 C PRO A 34 2.914 46.075 -6.788 1.00 63.02 C ATOM 476 O PRO A 34 2.329 46.324 -5.735 1.00 52.50 O ATOM 477 CB PRO A 34 1.471 46.997 -8.622 1.00 54.24 C ATOM 478 CG PRO A 34 1.620 46.033 -9.749 1.00 15.44 C ATOM 479 CD PRO A 34 3.032 46.187 -10.241 1.00 21.32 C ATOM 0 HA PRO A 34 3.108 48.016 -7.544 1.00 50.44 H new ATOM 0 HB2 PRO A 34 0.708 46.667 -7.917 1.00 54.24 H new ATOM 0 HB3 PRO A 34 1.170 47.982 -8.980 1.00 54.24 H new ATOM 0 HG2 PRO A 34 1.432 45.012 -9.417 1.00 15.44 H new ATOM 0 HG3 PRO A 34 0.904 46.247 -10.543 1.00 15.44 H new ATOM 0 HD2 PRO A 34 3.434 45.243 -10.609 1.00 21.32 H new ATOM 0 HD3 PRO A 34 3.096 46.902 -11.061 1.00 21.32 H new ATOM 487 N ALA A 35 3.628 44.970 -6.975 1.00 22.31 N ATOM 488 CA ALA A 35 3.769 43.965 -5.928 1.00 51.21 C ATOM 489 C ALA A 35 4.123 44.610 -4.592 1.00 51.14 C ATOM 490 O ALA A 35 5.244 45.069 -4.375 1.00 45.22 O ATOM 491 CB ALA A 35 4.824 42.941 -6.318 1.00 22.20 C ATOM 0 H ALA A 35 4.118 44.748 -7.842 1.00 22.31 H new ATOM 0 HA ALA A 35 2.811 43.458 -5.814 1.00 51.21 H new ATOM 0 HB1 ALA A 35 4.919 42.197 -5.527 1.00 22.20 H new ATOM 0 HB2 ALA A 35 4.529 42.450 -7.245 1.00 22.20 H new ATOM 0 HB3 ALA A 35 5.781 43.442 -6.462 1.00 22.20 H new ATOM 497 N PRO A 36 3.145 44.648 -3.675 1.00 22.41 N ATOM 498 CA PRO A 36 3.330 45.235 -2.344 1.00 63.44 C ATOM 499 C PRO A 36 4.256 44.400 -1.466 1.00 63.03 C ATOM 500 O PRO A 36 4.601 43.263 -1.791 1.00 1.44 O ATOM 501 CB PRO A 36 1.914 45.251 -1.764 1.00 1.11 C ATOM 502 CG PRO A 36 1.198 44.159 -2.481 1.00 51.42 C ATOM 503 CD PRO A 36 1.784 44.119 -3.865 1.00 50.44 C ATOM 0 HA PRO A 36 3.796 46.219 -2.393 1.00 63.44 H new ATOM 0 HB2 PRO A 36 1.925 45.077 -0.688 1.00 1.11 H new ATOM 0 HB3 PRO A 36 1.431 46.214 -1.926 1.00 1.11 H new ATOM 0 HG2 PRO A 36 1.333 43.204 -1.972 1.00 51.42 H new ATOM 0 HG3 PRO A 36 0.126 44.353 -2.517 1.00 51.42 H new ATOM 0 HD2 PRO A 36 1.799 43.105 -4.266 1.00 50.44 H new ATOM 0 HD3 PRO A 36 1.210 44.729 -4.562 1.00 50.44 H new ATOM 511 N PRO A 37 4.669 44.974 -0.327 1.00 4.52 N ATOM 512 CA PRO A 37 5.560 44.300 0.622 1.00 44.10 C ATOM 513 C PRO A 37 4.874 43.143 1.339 1.00 22.34 C ATOM 514 O PRO A 37 5.535 42.264 1.891 1.00 63.41 O ATOM 515 CB PRO A 37 5.922 45.406 1.616 1.00 4.32 C ATOM 516 CG PRO A 37 4.786 46.366 1.545 1.00 15.42 C ATOM 517 CD PRO A 37 4.298 46.326 0.123 1.00 10.43 C ATOM 0 HA PRO A 37 6.423 43.855 0.126 1.00 44.10 H new ATOM 0 HB2 PRO A 37 6.042 45.009 2.624 1.00 4.32 H new ATOM 0 HB3 PRO A 37 6.863 45.886 1.348 1.00 4.32 H new ATOM 0 HG2 PRO A 37 3.993 46.084 2.238 1.00 15.42 H new ATOM 0 HG3 PRO A 37 5.107 47.371 1.819 1.00 15.42 H new ATOM 0 HD2 PRO A 37 3.222 46.488 0.063 1.00 10.43 H new ATOM 0 HD3 PRO A 37 4.771 47.096 -0.486 1.00 10.43 H new ATOM 525 N GLU A 38 3.545 43.150 1.327 1.00 32.43 N ATOM 526 CA GLU A 38 2.770 42.099 1.978 1.00 42.32 C ATOM 527 C GLU A 38 2.575 40.909 1.043 1.00 30.01 C ATOM 528 O GLU A 38 2.343 39.787 1.492 1.00 63.25 O ATOM 529 CB GLU A 38 1.410 42.640 2.424 1.00 61.01 C ATOM 530 CG GLU A 38 1.380 43.090 3.875 1.00 61.11 C ATOM 531 CD GLU A 38 0.053 43.712 4.266 1.00 64.44 C ATOM 532 OE1 GLU A 38 -0.779 43.947 3.365 1.00 70.24 O ATOM 533 OE2 GLU A 38 -0.153 43.963 5.471 1.00 5.21 O ATOM 0 H GLU A 38 2.983 43.871 0.874 1.00 32.43 H new ATOM 0 HA GLU A 38 3.324 41.763 2.854 1.00 42.32 H new ATOM 0 HB2 GLU A 38 1.136 43.480 1.786 1.00 61.01 H new ATOM 0 HB3 GLU A 38 0.655 41.868 2.276 1.00 61.01 H new ATOM 0 HG2 GLU A 38 1.581 42.235 4.521 1.00 61.11 H new ATOM 0 HG3 GLU A 38 2.179 43.812 4.044 1.00 61.11 H new ATOM 540 N GLU A 39 2.670 41.164 -0.258 1.00 71.01 N ATOM 541 CA GLU A 39 2.502 40.114 -1.256 1.00 22.22 C ATOM 542 C GLU A 39 3.850 39.513 -1.645 1.00 51.23 C ATOM 543 O GLU A 39 3.914 38.540 -2.397 1.00 2.02 O ATOM 544 CB GLU A 39 1.800 40.667 -2.498 1.00 20.13 C ATOM 545 CG GLU A 39 0.307 40.875 -2.310 1.00 53.54 C ATOM 546 CD GLU A 39 -0.460 39.569 -2.234 1.00 42.32 C ATOM 547 OE1 GLU A 39 0.082 38.537 -2.682 1.00 43.24 O ATOM 548 OE2 GLU A 39 -1.601 39.579 -1.727 1.00 62.12 O ATOM 0 H GLU A 39 2.862 42.088 -0.645 1.00 71.01 H new ATOM 0 HA GLU A 39 1.886 39.328 -0.819 1.00 22.22 H new ATOM 0 HB2 GLU A 39 2.259 41.617 -2.772 1.00 20.13 H new ATOM 0 HB3 GLU A 39 1.961 39.983 -3.331 1.00 20.13 H new ATOM 0 HG2 GLU A 39 0.136 41.446 -1.397 1.00 53.54 H new ATOM 0 HG3 GLU A 39 -0.080 41.471 -3.136 1.00 53.54 H new ATOM 555 N TYR A 40 4.924 40.100 -1.129 1.00 52.52 N ATOM 556 CA TYR A 40 6.271 39.626 -1.425 1.00 15.24 C ATOM 557 C TYR A 40 6.593 38.368 -0.625 1.00 34.42 C ATOM 558 O TYR A 40 7.259 37.457 -1.118 1.00 55.44 O ATOM 559 CB TYR A 40 7.297 40.717 -1.115 1.00 43.14 C ATOM 560 CG TYR A 40 7.922 41.327 -2.349 1.00 45.44 C ATOM 561 CD1 TYR A 40 8.482 40.526 -3.337 1.00 40.12 C ATOM 562 CD2 TYR A 40 7.955 42.705 -2.527 1.00 73.13 C ATOM 563 CE1 TYR A 40 9.055 41.079 -4.466 1.00 40.21 C ATOM 564 CE2 TYR A 40 8.524 43.267 -3.654 1.00 22.45 C ATOM 565 CZ TYR A 40 9.073 42.450 -4.620 1.00 22.21 C ATOM 566 OH TYR A 40 9.643 43.006 -5.743 1.00 33.55 O ATOM 0 H TYR A 40 4.888 40.905 -0.504 1.00 52.52 H new ATOM 0 HA TYR A 40 6.319 39.382 -2.486 1.00 15.24 H new ATOM 0 HB2 TYR A 40 6.815 41.504 -0.535 1.00 43.14 H new ATOM 0 HB3 TYR A 40 8.084 40.297 -0.489 1.00 43.14 H new ATOM 0 HD1 TYR A 40 8.469 39.452 -3.220 1.00 40.12 H new ATOM 0 HD2 TYR A 40 7.528 43.348 -1.771 1.00 73.13 H new ATOM 0 HE1 TYR A 40 9.486 40.442 -5.224 1.00 40.21 H new ATOM 0 HE2 TYR A 40 8.539 44.340 -3.778 1.00 22.45 H new ATOM 0 HH TYR A 40 8.939 43.362 -6.325 1.00 33.55 H new ATOM 576 N VAL A 41 6.114 38.323 0.615 1.00 51.35 N ATOM 577 CA VAL A 41 6.348 37.177 1.484 1.00 22.40 C ATOM 578 C VAL A 41 5.972 35.873 0.788 1.00 1.31 C ATOM 579 O VAL A 41 6.786 34.961 0.643 1.00 51.04 O ATOM 580 CB VAL A 41 5.549 37.294 2.796 1.00 45.43 C ATOM 581 CG1 VAL A 41 5.175 35.916 3.319 1.00 52.04 C ATOM 582 CG2 VAL A 41 6.344 38.070 3.835 1.00 24.02 C ATOM 0 H VAL A 41 5.561 39.068 1.039 1.00 51.35 H new ATOM 0 HA VAL A 41 7.413 37.168 1.715 1.00 22.40 H new ATOM 0 HB VAL A 41 4.628 37.841 2.593 1.00 45.43 H new ATOM 0 HG11 VAL A 41 4.611 36.019 4.246 1.00 52.04 H new ATOM 0 HG12 VAL A 41 4.564 35.399 2.579 1.00 52.04 H new ATOM 0 HG13 VAL A 41 6.081 35.340 3.508 1.00 52.04 H new ATOM 0 HG21 VAL A 41 5.765 38.143 4.756 1.00 24.02 H new ATOM 0 HG22 VAL A 41 7.282 37.553 4.036 1.00 24.02 H new ATOM 0 HG23 VAL A 41 6.555 39.071 3.458 1.00 24.02 H new ATOM 592 N PRO A 42 4.709 35.782 0.346 1.00 30.33 N ATOM 593 CA PRO A 42 4.196 34.594 -0.343 1.00 53.22 C ATOM 594 C PRO A 42 4.798 34.426 -1.734 1.00 20.21 C ATOM 595 O PRO A 42 5.102 33.311 -2.158 1.00 55.21 O ATOM 596 CB PRO A 42 2.692 34.863 -0.441 1.00 31.13 C ATOM 597 CG PRO A 42 2.569 36.347 -0.399 1.00 72.01 C ATOM 598 CD PRO A 42 3.685 36.830 0.485 1.00 13.44 C ATOM 0 HA PRO A 42 4.445 33.675 0.188 1.00 53.22 H new ATOM 0 HB2 PRO A 42 2.277 34.457 -1.363 1.00 31.13 H new ATOM 0 HB3 PRO A 42 2.152 34.398 0.384 1.00 31.13 H new ATOM 0 HG2 PRO A 42 2.650 36.774 -1.399 1.00 72.01 H new ATOM 0 HG3 PRO A 42 1.599 36.647 -0.002 1.00 72.01 H new ATOM 0 HD2 PRO A 42 4.059 37.802 0.164 1.00 13.44 H new ATOM 0 HD3 PRO A 42 3.360 36.939 1.520 1.00 13.44 H new ATOM 606 N MET A 43 4.969 35.540 -2.439 1.00 34.43 N ATOM 607 CA MET A 43 5.537 35.514 -3.782 1.00 13.24 C ATOM 608 C MET A 43 6.868 34.770 -3.795 1.00 21.13 C ATOM 609 O MET A 43 7.039 33.796 -4.528 1.00 30.11 O ATOM 610 CB MET A 43 5.731 36.939 -4.303 1.00 54.24 C ATOM 611 CG MET A 43 4.559 37.450 -5.126 1.00 34.03 C ATOM 612 SD MET A 43 4.904 39.032 -5.919 1.00 71.33 S ATOM 613 CE MET A 43 3.358 39.893 -5.644 1.00 51.22 C ATOM 0 H MET A 43 4.723 36.471 -2.103 1.00 34.43 H new ATOM 0 HA MET A 43 4.841 34.987 -4.434 1.00 13.24 H new ATOM 0 HB2 MET A 43 5.889 37.608 -3.457 1.00 54.24 H new ATOM 0 HB3 MET A 43 6.635 36.975 -4.911 1.00 54.24 H new ATOM 0 HG2 MET A 43 4.307 36.713 -5.889 1.00 34.03 H new ATOM 0 HG3 MET A 43 3.686 37.554 -4.482 1.00 34.03 H new ATOM 0 HE1 MET A 43 3.095 40.463 -6.535 1.00 51.22 H new ATOM 0 HE2 MET A 43 2.571 39.169 -5.431 1.00 51.22 H new ATOM 0 HE3 MET A 43 3.465 40.572 -4.798 1.00 51.22 H new ATOM 623 N VAL A 44 7.809 35.235 -2.979 1.00 62.10 N ATOM 624 CA VAL A 44 9.125 34.613 -2.897 1.00 21.45 C ATOM 625 C VAL A 44 9.024 33.180 -2.386 1.00 63.41 C ATOM 626 O VAL A 44 9.816 32.316 -2.765 1.00 52.24 O ATOM 627 CB VAL A 44 10.066 35.410 -1.974 1.00 20.44 C ATOM 628 CG1 VAL A 44 9.599 35.320 -0.529 1.00 22.13 C ATOM 629 CG2 VAL A 44 11.496 34.911 -2.112 1.00 63.44 C ATOM 0 H VAL A 44 7.684 36.040 -2.366 1.00 62.10 H new ATOM 0 HA VAL A 44 9.536 34.608 -3.906 1.00 21.45 H new ATOM 0 HB VAL A 44 10.040 36.457 -2.275 1.00 20.44 H new ATOM 0 HG11 VAL A 44 10.276 35.889 0.108 1.00 22.13 H new ATOM 0 HG12 VAL A 44 8.592 35.729 -0.446 1.00 22.13 H new ATOM 0 HG13 VAL A 44 9.594 34.277 -0.213 1.00 22.13 H new ATOM 0 HG21 VAL A 44 12.147 35.485 -1.453 1.00 63.44 H new ATOM 0 HG22 VAL A 44 11.541 33.857 -1.839 1.00 63.44 H new ATOM 0 HG23 VAL A 44 11.826 35.033 -3.144 1.00 63.44 H new ATOM 639 N LYS A 45 8.045 32.932 -1.523 1.00 53.31 N ATOM 640 CA LYS A 45 7.837 31.603 -0.960 1.00 43.35 C ATOM 641 C LYS A 45 7.585 30.579 -2.062 1.00 54.34 C ATOM 642 O LYS A 45 8.151 29.487 -2.048 1.00 52.01 O ATOM 643 CB LYS A 45 6.659 31.619 0.016 1.00 22.52 C ATOM 644 CG LYS A 45 7.077 31.736 1.472 1.00 62.03 C ATOM 645 CD LYS A 45 7.403 30.378 2.070 1.00 62.44 C ATOM 646 CE LYS A 45 7.575 30.460 3.579 1.00 74.53 C ATOM 647 NZ LYS A 45 9.005 30.597 3.968 1.00 44.33 N ATOM 0 H LYS A 45 7.382 33.635 -1.198 1.00 53.31 H new ATOM 0 HA LYS A 45 8.741 31.317 -0.423 1.00 43.35 H new ATOM 0 HB2 LYS A 45 6.003 32.453 -0.233 1.00 22.52 H new ATOM 0 HB3 LYS A 45 6.078 30.706 -0.114 1.00 22.52 H new ATOM 0 HG2 LYS A 45 7.948 32.387 1.550 1.00 62.03 H new ATOM 0 HG3 LYS A 45 6.276 32.204 2.045 1.00 62.03 H new ATOM 0 HD2 LYS A 45 6.606 29.673 1.831 1.00 62.44 H new ATOM 0 HD3 LYS A 45 8.317 29.991 1.619 1.00 62.44 H new ATOM 0 HE2 LYS A 45 7.011 31.310 3.963 1.00 74.53 H new ATOM 0 HE3 LYS A 45 7.157 29.566 4.041 1.00 74.53 H new ATOM 0 HZ1 LYS A 45 9.173 30.086 4.858 1.00 44.33 H new ATOM 0 HZ2 LYS A 45 9.608 30.198 3.220 1.00 44.33 H new ATOM 0 HZ3 LYS A 45 9.235 31.603 4.098 1.00 44.33 H new ATOM 661 N GLU A 46 6.732 30.941 -3.016 1.00 41.22 N ATOM 662 CA GLU A 46 6.406 30.053 -4.126 1.00 21.24 C ATOM 663 C GLU A 46 7.649 29.737 -4.953 1.00 31.32 C ATOM 664 O GLU A 46 7.926 28.577 -5.259 1.00 42.11 O ATOM 665 CB GLU A 46 5.334 30.685 -5.016 1.00 64.13 C ATOM 666 CG GLU A 46 4.073 29.846 -5.140 1.00 3.44 C ATOM 667 CD GLU A 46 4.195 28.761 -6.192 1.00 12.31 C ATOM 668 OE1 GLU A 46 5.003 27.830 -5.993 1.00 2.44 O ATOM 669 OE2 GLU A 46 3.482 28.843 -7.214 1.00 64.01 O ATOM 0 H GLU A 46 6.255 31.842 -3.042 1.00 41.22 H new ATOM 0 HA GLU A 46 6.020 29.122 -3.712 1.00 21.24 H new ATOM 0 HB2 GLU A 46 5.071 31.664 -4.614 1.00 64.13 H new ATOM 0 HB3 GLU A 46 5.750 30.850 -6.010 1.00 64.13 H new ATOM 0 HG2 GLU A 46 3.849 29.389 -4.176 1.00 3.44 H new ATOM 0 HG3 GLU A 46 3.233 30.494 -5.388 1.00 3.44 H new ATOM 676 N VAL A 47 8.394 30.777 -5.312 1.00 0.41 N ATOM 677 CA VAL A 47 9.608 30.612 -6.103 1.00 55.11 C ATOM 678 C VAL A 47 10.598 29.688 -5.404 1.00 33.52 C ATOM 679 O VAL A 47 11.173 28.794 -6.024 1.00 3.23 O ATOM 680 CB VAL A 47 10.290 31.966 -6.374 1.00 53.20 C ATOM 681 CG1 VAL A 47 11.445 31.797 -7.348 1.00 63.44 C ATOM 682 CG2 VAL A 47 9.280 32.975 -6.902 1.00 23.35 C ATOM 0 H VAL A 47 8.178 31.744 -5.068 1.00 0.41 H new ATOM 0 HA VAL A 47 9.309 30.168 -7.052 1.00 55.11 H new ATOM 0 HB VAL A 47 10.691 32.345 -5.434 1.00 53.20 H new ATOM 0 HG11 VAL A 47 11.914 32.764 -7.527 1.00 63.44 H new ATOM 0 HG12 VAL A 47 12.179 31.110 -6.926 1.00 63.44 H new ATOM 0 HG13 VAL A 47 11.071 31.395 -8.290 1.00 63.44 H new ATOM 0 HG21 VAL A 47 9.779 33.926 -7.088 1.00 23.35 H new ATOM 0 HG22 VAL A 47 8.847 32.604 -7.831 1.00 23.35 H new ATOM 0 HG23 VAL A 47 8.489 33.118 -6.165 1.00 23.35 H new ATOM 692 N GLY A 48 10.791 29.908 -4.107 1.00 2.40 N ATOM 693 CA GLY A 48 11.712 29.087 -3.344 1.00 23.31 C ATOM 694 C GLY A 48 11.316 27.624 -3.338 1.00 73.40 C ATOM 695 O GLY A 48 12.166 26.743 -3.204 1.00 21.41 O ATOM 0 H GLY A 48 10.326 30.641 -3.571 1.00 2.40 H new ATOM 0 HA2 GLY A 48 12.714 29.187 -3.761 1.00 23.31 H new ATOM 0 HA3 GLY A 48 11.755 29.453 -2.318 1.00 23.31 H new ATOM 699 N LEU A 49 10.021 27.363 -3.482 1.00 62.21 N ATOM 700 CA LEU A 49 9.513 25.995 -3.491 1.00 53.53 C ATOM 701 C LEU A 49 9.882 25.286 -4.790 1.00 23.21 C ATOM 702 O LEU A 49 10.538 24.244 -4.775 1.00 12.42 O ATOM 703 CB LEU A 49 7.994 25.994 -3.311 1.00 13.15 C ATOM 704 CG LEU A 49 7.342 24.625 -3.116 1.00 22.42 C ATOM 705 CD1 LEU A 49 7.632 24.089 -1.722 1.00 70.13 C ATOM 706 CD2 LEU A 49 5.842 24.709 -3.355 1.00 72.14 C ATOM 0 H LEU A 49 9.304 28.080 -3.594 1.00 62.21 H new ATOM 0 HA LEU A 49 9.972 25.457 -2.662 1.00 53.53 H new ATOM 0 HB2 LEU A 49 7.750 26.616 -2.450 1.00 13.15 H new ATOM 0 HB3 LEU A 49 7.544 26.467 -4.184 1.00 13.15 H new ATOM 0 HG LEU A 49 7.768 23.935 -3.844 1.00 22.42 H new ATOM 0 HD11 LEU A 49 7.160 23.114 -1.602 1.00 70.13 H new ATOM 0 HD12 LEU A 49 8.709 23.990 -1.587 1.00 70.13 H new ATOM 0 HD13 LEU A 49 7.235 24.779 -0.977 1.00 70.13 H new ATOM 0 HD21 LEU A 49 5.395 23.725 -3.212 1.00 72.14 H new ATOM 0 HD22 LEU A 49 5.400 25.414 -2.651 1.00 72.14 H new ATOM 0 HD23 LEU A 49 5.654 25.048 -4.374 1.00 72.14 H new ATOM 718 N ALA A 50 9.459 25.858 -5.912 1.00 51.12 N ATOM 719 CA ALA A 50 9.749 25.283 -7.220 1.00 31.24 C ATOM 720 C ALA A 50 11.252 25.165 -7.446 1.00 43.14 C ATOM 721 O ALA A 50 11.728 24.192 -8.032 1.00 71.34 O ATOM 722 CB ALA A 50 9.112 26.121 -8.318 1.00 75.41 C ATOM 0 H ALA A 50 8.914 26.720 -5.942 1.00 51.12 H new ATOM 0 HA ALA A 50 9.323 24.280 -7.251 1.00 31.24 H new ATOM 0 HB1 ALA A 50 9.337 25.680 -9.289 1.00 75.41 H new ATOM 0 HB2 ALA A 50 8.032 26.150 -8.174 1.00 75.41 H new ATOM 0 HB3 ALA A 50 9.510 27.135 -8.279 1.00 75.41 H new ATOM 728 N LEU A 51 11.996 26.162 -6.980 1.00 11.13 N ATOM 729 CA LEU A 51 13.447 26.171 -7.132 1.00 73.22 C ATOM 730 C LEU A 51 14.082 25.017 -6.363 1.00 60.33 C ATOM 731 O LEU A 51 14.681 24.119 -6.955 1.00 61.33 O ATOM 732 CB LEU A 51 14.023 27.502 -6.645 1.00 35.51 C ATOM 733 CG LEU A 51 14.261 28.563 -7.719 1.00 51.31 C ATOM 734 CD1 LEU A 51 13.013 28.754 -8.568 1.00 23.44 C ATOM 735 CD2 LEU A 51 14.682 29.880 -7.083 1.00 54.32 C ATOM 0 H LEU A 51 11.618 26.975 -6.493 1.00 11.13 H new ATOM 0 HA LEU A 51 13.677 26.049 -8.190 1.00 73.22 H new ATOM 0 HB2 LEU A 51 13.346 27.916 -5.897 1.00 35.51 H new ATOM 0 HB3 LEU A 51 14.970 27.303 -6.143 1.00 35.51 H new ATOM 0 HG LEU A 51 15.067 28.221 -8.368 1.00 51.31 H new ATOM 0 HD11 LEU A 51 13.202 29.513 -9.327 1.00 23.44 H new ATOM 0 HD12 LEU A 51 12.755 27.812 -9.053 1.00 23.44 H new ATOM 0 HD13 LEU A 51 12.186 29.073 -7.933 1.00 23.44 H new ATOM 0 HD21 LEU A 51 14.847 30.624 -7.862 1.00 54.32 H new ATOM 0 HD22 LEU A 51 13.897 30.227 -6.411 1.00 54.32 H new ATOM 0 HD23 LEU A 51 15.604 29.734 -6.520 1.00 54.32 H new ATOM 747 N ARG A 52 13.945 25.047 -5.042 1.00 21.42 N ATOM 748 CA ARG A 52 14.505 24.003 -4.192 1.00 32.51 C ATOM 749 C ARG A 52 13.993 22.628 -4.611 1.00 72.42 C ATOM 750 O ARG A 52 14.762 21.672 -4.718 1.00 22.00 O ATOM 751 CB ARG A 52 14.152 24.265 -2.727 1.00 24.35 C ATOM 752 CG ARG A 52 14.573 23.144 -1.789 1.00 54.32 C ATOM 753 CD ARG A 52 13.367 22.445 -1.181 1.00 11.32 C ATOM 754 NE ARG A 52 13.758 21.383 -0.258 1.00 70.35 N ATOM 755 CZ ARG A 52 12.907 20.494 0.241 1.00 22.55 C ATOM 756 NH1 ARG A 52 11.624 20.539 -0.091 1.00 24.23 N ATOM 757 NH2 ARG A 52 13.339 19.556 1.075 1.00 2.03 N ATOM 0 H ARG A 52 13.451 25.783 -4.537 1.00 21.42 H new ATOM 0 HA ARG A 52 15.589 24.019 -4.306 1.00 32.51 H new ATOM 0 HB2 ARG A 52 14.628 25.192 -2.408 1.00 24.35 H new ATOM 0 HB3 ARG A 52 13.075 24.413 -2.642 1.00 24.35 H new ATOM 0 HG2 ARG A 52 15.178 22.420 -2.334 1.00 54.32 H new ATOM 0 HG3 ARG A 52 15.199 23.549 -0.994 1.00 54.32 H new ATOM 0 HD2 ARG A 52 12.752 23.175 -0.654 1.00 11.32 H new ATOM 0 HD3 ARG A 52 12.752 22.025 -1.977 1.00 11.32 H new ATOM 0 HE ARG A 52 14.738 21.321 0.018 1.00 70.35 H new ATOM 0 HH11 ARG A 52 11.288 21.258 -0.732 1.00 24.23 H new ATOM 0 HH12 ARG A 52 10.973 19.855 0.294 1.00 24.23 H new ATOM 0 HH21 ARG A 52 14.325 19.518 1.333 1.00 2.03 H new ATOM 0 HH22 ARG A 52 12.685 18.873 1.458 1.00 2.03 H new ATOM 771 N THR A 53 12.688 22.534 -4.847 1.00 52.45 N ATOM 772 CA THR A 53 12.072 21.277 -5.253 1.00 44.11 C ATOM 773 C THR A 53 12.637 20.793 -6.584 1.00 33.01 C ATOM 774 O THR A 53 12.908 19.604 -6.759 1.00 40.33 O ATOM 775 CB THR A 53 10.543 21.414 -5.376 1.00 41.24 C ATOM 776 OG1 THR A 53 9.982 21.792 -4.114 1.00 52.34 O ATOM 777 CG2 THR A 53 9.919 20.108 -5.844 1.00 54.30 C ATOM 0 H THR A 53 12.037 23.315 -4.764 1.00 52.45 H new ATOM 0 HA THR A 53 12.302 20.547 -4.477 1.00 44.11 H new ATOM 0 HB THR A 53 10.327 22.186 -6.114 1.00 41.24 H new ATOM 0 HG1 THR A 53 10.032 22.765 -4.012 1.00 52.34 H new ATOM 0 HG21 THR A 53 8.839 20.229 -5.923 1.00 54.30 H new ATOM 0 HG22 THR A 53 10.327 19.839 -6.818 1.00 54.30 H new ATOM 0 HG23 THR A 53 10.144 19.319 -5.126 1.00 54.30 H new ATOM 785 N LEU A 54 12.812 21.720 -7.519 1.00 50.01 N ATOM 786 CA LEU A 54 13.346 21.388 -8.835 1.00 75.55 C ATOM 787 C LEU A 54 14.643 20.595 -8.713 1.00 31.21 C ATOM 788 O LEU A 54 14.860 19.623 -9.437 1.00 71.45 O ATOM 789 CB LEU A 54 13.588 22.662 -9.646 1.00 71.11 C ATOM 790 CG LEU A 54 12.487 23.048 -10.634 1.00 41.25 C ATOM 791 CD1 LEU A 54 12.831 24.355 -11.332 1.00 71.04 C ATOM 792 CD2 LEU A 54 12.271 21.938 -11.653 1.00 2.31 C ATOM 0 H LEU A 54 12.592 22.708 -7.390 1.00 50.01 H new ATOM 0 HA LEU A 54 12.612 20.770 -9.352 1.00 75.55 H new ATOM 0 HB2 LEU A 54 13.731 23.489 -8.951 1.00 71.11 H new ATOM 0 HB3 LEU A 54 14.520 22.545 -10.199 1.00 71.11 H new ATOM 0 HG LEU A 54 11.560 23.189 -10.078 1.00 41.25 H new ATOM 0 HD11 LEU A 54 12.036 24.614 -12.031 1.00 71.04 H new ATOM 0 HD12 LEU A 54 12.934 25.147 -10.591 1.00 71.04 H new ATOM 0 HD13 LEU A 54 13.769 24.242 -11.875 1.00 71.04 H new ATOM 0 HD21 LEU A 54 11.484 22.230 -12.348 1.00 2.31 H new ATOM 0 HD22 LEU A 54 13.196 21.765 -12.204 1.00 2.31 H new ATOM 0 HD23 LEU A 54 11.979 21.023 -11.138 1.00 2.31 H new ATOM 804 N LEU A 55 15.502 21.015 -7.790 1.00 74.43 N ATOM 805 CA LEU A 55 16.778 20.342 -7.570 1.00 55.54 C ATOM 806 C LEU A 55 16.573 18.850 -7.331 1.00 73.04 C ATOM 807 O LEU A 55 17.264 18.017 -7.916 1.00 45.02 O ATOM 808 CB LEU A 55 17.506 20.966 -6.379 1.00 1.13 C ATOM 809 CG LEU A 55 19.034 20.958 -6.447 1.00 13.11 C ATOM 810 CD1 LEU A 55 19.548 19.556 -6.734 1.00 32.13 C ATOM 811 CD2 LEU A 55 19.525 21.935 -7.505 1.00 4.22 C ATOM 0 H LEU A 55 15.338 21.818 -7.182 1.00 74.43 H new ATOM 0 HA LEU A 55 17.386 20.467 -8.466 1.00 55.54 H new ATOM 0 HB2 LEU A 55 17.172 21.998 -6.275 1.00 1.13 H new ATOM 0 HB3 LEU A 55 17.200 20.440 -5.475 1.00 1.13 H new ATOM 0 HG LEU A 55 19.424 21.274 -5.480 1.00 13.11 H new ATOM 0 HD11 LEU A 55 20.637 19.570 -6.779 1.00 32.13 H new ATOM 0 HD12 LEU A 55 19.226 18.881 -5.941 1.00 32.13 H new ATOM 0 HD13 LEU A 55 19.150 19.211 -7.688 1.00 32.13 H new ATOM 0 HD21 LEU A 55 20.614 21.916 -7.540 1.00 4.22 H new ATOM 0 HD22 LEU A 55 19.126 21.649 -8.478 1.00 4.22 H new ATOM 0 HD23 LEU A 55 19.187 22.941 -7.256 1.00 4.22 H new ATOM 823 N ALA A 56 15.616 18.520 -6.470 1.00 23.32 N ATOM 824 CA ALA A 56 15.317 17.128 -6.157 1.00 24.21 C ATOM 825 C ALA A 56 14.579 16.453 -7.308 1.00 23.31 C ATOM 826 O ALA A 56 14.951 15.362 -7.744 1.00 11.43 O ATOM 827 CB ALA A 56 14.498 17.039 -4.878 1.00 24.53 C ATOM 0 H ALA A 56 15.035 19.198 -5.977 1.00 23.32 H new ATOM 0 HA ALA A 56 16.261 16.604 -6.008 1.00 24.21 H new ATOM 0 HB1 ALA A 56 14.282 15.994 -4.656 1.00 24.53 H new ATOM 0 HB2 ALA A 56 15.062 17.476 -4.054 1.00 24.53 H new ATOM 0 HB3 ALA A 56 13.563 17.584 -5.006 1.00 24.53 H new ATOM 833 N THR A 57 13.530 17.107 -7.797 1.00 63.11 N ATOM 834 CA THR A 57 12.739 16.569 -8.896 1.00 52.03 C ATOM 835 C THR A 57 13.625 16.189 -10.077 1.00 54.33 C ATOM 836 O THR A 57 13.592 15.053 -10.551 1.00 12.40 O ATOM 837 CB THR A 57 11.676 17.579 -9.370 1.00 22.51 C ATOM 838 OG1 THR A 57 11.199 18.345 -8.259 1.00 0.24 O ATOM 839 CG2 THR A 57 10.511 16.864 -10.037 1.00 53.24 C ATOM 0 H THR A 57 13.209 18.010 -7.449 1.00 63.11 H new ATOM 0 HA THR A 57 12.239 15.677 -8.519 1.00 52.03 H new ATOM 0 HB THR A 57 12.138 18.245 -10.098 1.00 22.51 H new ATOM 0 HG1 THR A 57 11.848 19.047 -8.043 1.00 0.24 H new ATOM 0 HG21 THR A 57 9.773 17.597 -10.363 1.00 53.24 H new ATOM 0 HG22 THR A 57 10.873 16.305 -10.900 1.00 53.24 H new ATOM 0 HG23 THR A 57 10.051 16.177 -9.327 1.00 53.24 H new ATOM 847 N VAL A 58 14.417 17.147 -10.549 1.00 32.20 N ATOM 848 CA VAL A 58 15.314 16.912 -11.674 1.00 74.13 C ATOM 849 C VAL A 58 16.229 15.722 -11.408 1.00 44.42 C ATOM 850 O VAL A 58 16.409 14.860 -12.268 1.00 30.41 O ATOM 851 CB VAL A 58 16.176 18.153 -11.974 1.00 32.45 C ATOM 852 CG1 VAL A 58 17.137 17.872 -13.118 1.00 62.42 C ATOM 853 CG2 VAL A 58 15.293 19.351 -12.290 1.00 21.43 C ATOM 0 H VAL A 58 14.455 18.093 -10.170 1.00 32.20 H new ATOM 0 HA VAL A 58 14.687 16.698 -12.539 1.00 74.13 H new ATOM 0 HB VAL A 58 16.764 18.388 -11.087 1.00 32.45 H new ATOM 0 HG11 VAL A 58 17.737 18.760 -13.315 1.00 62.42 H new ATOM 0 HG12 VAL A 58 17.792 17.044 -12.848 1.00 62.42 H new ATOM 0 HG13 VAL A 58 16.571 17.610 -14.012 1.00 62.42 H new ATOM 0 HG21 VAL A 58 15.918 20.219 -12.499 1.00 21.43 H new ATOM 0 HG22 VAL A 58 14.677 19.129 -13.161 1.00 21.43 H new ATOM 0 HG23 VAL A 58 14.650 19.565 -11.436 1.00 21.43 H new ATOM 863 N ASP A 59 16.806 15.683 -10.212 1.00 72.21 N ATOM 864 CA ASP A 59 17.703 14.598 -9.831 1.00 74.21 C ATOM 865 C ASP A 59 17.026 13.243 -10.016 1.00 41.15 C ATOM 866 O ASP A 59 17.682 12.249 -10.324 1.00 61.33 O ATOM 867 CB ASP A 59 18.150 14.764 -8.378 1.00 31.31 C ATOM 868 CG ASP A 59 18.797 13.509 -7.824 1.00 41.45 C ATOM 869 OD1 ASP A 59 20.020 13.340 -8.012 1.00 4.31 O ATOM 870 OD2 ASP A 59 18.081 12.697 -7.203 1.00 55.32 O ATOM 0 H ASP A 59 16.669 16.390 -9.490 1.00 72.21 H new ATOM 0 HA ASP A 59 18.578 14.638 -10.479 1.00 74.21 H new ATOM 0 HB2 ASP A 59 18.855 15.593 -8.310 1.00 31.31 H new ATOM 0 HB3 ASP A 59 17.289 15.027 -7.764 1.00 31.31 H new ATOM 875 N GLU A 60 15.711 13.213 -9.826 1.00 12.12 N ATOM 876 CA GLU A 60 14.947 11.980 -9.970 1.00 74.44 C ATOM 877 C GLU A 60 14.627 11.707 -11.437 1.00 75.32 C ATOM 878 O GLU A 60 14.378 10.566 -11.828 1.00 23.04 O ATOM 879 CB GLU A 60 13.651 12.058 -9.160 1.00 51.34 C ATOM 880 CG GLU A 60 13.857 12.511 -7.725 1.00 1.23 C ATOM 881 CD GLU A 60 13.116 11.642 -6.727 1.00 4.42 C ATOM 882 OE1 GLU A 60 12.021 11.149 -7.067 1.00 12.41 O ATOM 883 OE2 GLU A 60 13.633 11.456 -5.605 1.00 63.53 O ATOM 0 H GLU A 60 15.153 14.028 -9.572 1.00 12.12 H new ATOM 0 HA GLU A 60 15.555 11.160 -9.589 1.00 74.44 H new ATOM 0 HB2 GLU A 60 12.964 12.745 -9.654 1.00 51.34 H new ATOM 0 HB3 GLU A 60 13.174 11.078 -9.158 1.00 51.34 H new ATOM 0 HG2 GLU A 60 14.922 12.497 -7.493 1.00 1.23 H new ATOM 0 HG3 GLU A 60 13.522 13.543 -7.622 1.00 1.23 H new ATOM 890 N SER A 61 14.634 12.762 -12.245 1.00 12.42 N ATOM 891 CA SER A 61 14.340 12.638 -13.668 1.00 1.43 C ATOM 892 C SER A 61 15.504 11.987 -14.408 1.00 45.40 C ATOM 893 O SER A 61 15.325 11.392 -15.471 1.00 54.24 O ATOM 894 CB SER A 61 14.042 14.013 -14.270 1.00 64.23 C ATOM 895 OG SER A 61 12.854 13.985 -15.042 1.00 63.32 O ATOM 0 H SER A 61 14.840 13.713 -11.939 1.00 12.42 H new ATOM 0 HA SER A 61 13.461 12.003 -13.779 1.00 1.43 H new ATOM 0 HB2 SER A 61 13.944 14.749 -13.472 1.00 64.23 H new ATOM 0 HB3 SER A 61 14.878 14.329 -14.894 1.00 64.23 H new ATOM 0 HG SER A 61 12.769 14.824 -15.541 1.00 63.32 H new ATOM 901 N LEU A 62 16.699 12.105 -13.839 1.00 31.25 N ATOM 902 CA LEU A 62 17.895 11.528 -14.443 1.00 52.11 C ATOM 903 C LEU A 62 17.679 10.056 -14.780 1.00 52.22 C ATOM 904 O LEU A 62 17.756 9.641 -15.937 1.00 13.22 O ATOM 905 CB LEU A 62 19.090 11.677 -13.500 1.00 14.03 C ATOM 906 CG LEU A 62 20.172 12.664 -13.938 1.00 11.30 C ATOM 907 CD1 LEU A 62 21.017 13.092 -12.749 1.00 3.35 C ATOM 908 CD2 LEU A 62 21.046 12.051 -15.023 1.00 34.05 C ATOM 0 H LEU A 62 16.865 12.595 -12.960 1.00 31.25 H new ATOM 0 HA LEU A 62 18.101 12.067 -15.368 1.00 52.11 H new ATOM 0 HB2 LEU A 62 18.719 11.985 -12.522 1.00 14.03 H new ATOM 0 HB3 LEU A 62 19.550 10.697 -13.372 1.00 14.03 H new ATOM 0 HG LEU A 62 19.685 13.549 -14.348 1.00 11.30 H new ATOM 0 HD11 LEU A 62 21.782 13.794 -13.080 1.00 3.35 H new ATOM 0 HD12 LEU A 62 20.381 13.572 -12.005 1.00 3.35 H new ATOM 0 HD13 LEU A 62 21.495 12.217 -12.308 1.00 3.35 H new ATOM 0 HD21 LEU A 62 21.811 12.768 -15.323 1.00 34.05 H new ATOM 0 HD22 LEU A 62 21.524 11.150 -14.639 1.00 34.05 H new ATOM 0 HD23 LEU A 62 20.430 11.796 -15.885 1.00 34.05 H new ATOM 920 N PRO A 63 17.400 9.247 -13.747 1.00 51.15 N ATOM 921 CA PRO A 63 17.164 7.809 -13.910 1.00 1.45 C ATOM 922 C PRO A 63 15.849 7.514 -14.623 1.00 10.44 C ATOM 923 O PRO A 63 15.795 6.683 -15.529 1.00 24.43 O ATOM 924 CB PRO A 63 17.119 7.293 -12.469 1.00 70.23 C ATOM 925 CG PRO A 63 16.705 8.471 -11.657 1.00 73.01 C ATOM 926 CD PRO A 63 17.293 9.674 -12.342 1.00 74.41 C ATOM 0 HA PRO A 63 17.931 7.336 -14.524 1.00 1.45 H new ATOM 0 HB2 PRO A 63 16.410 6.472 -12.365 1.00 70.23 H new ATOM 0 HB3 PRO A 63 18.092 6.917 -12.153 1.00 70.23 H new ATOM 0 HG2 PRO A 63 15.619 8.545 -11.603 1.00 73.01 H new ATOM 0 HG3 PRO A 63 17.070 8.387 -10.634 1.00 73.01 H new ATOM 0 HD2 PRO A 63 16.653 10.550 -12.236 1.00 74.41 H new ATOM 0 HD3 PRO A 63 18.266 9.938 -11.927 1.00 74.41 H new ATOM 934 N VAL A 64 14.789 8.202 -14.208 1.00 62.34 N ATOM 935 CA VAL A 64 13.474 8.014 -14.809 1.00 11.30 C ATOM 936 C VAL A 64 13.542 8.129 -16.328 1.00 31.13 C ATOM 937 O VAL A 64 12.837 7.420 -17.047 1.00 61.41 O ATOM 938 CB VAL A 64 12.460 9.042 -14.272 1.00 43.44 C ATOM 939 CG1 VAL A 64 11.137 8.925 -15.013 1.00 61.43 C ATOM 940 CG2 VAL A 64 12.260 8.862 -12.775 1.00 65.53 C ATOM 0 H VAL A 64 14.816 8.894 -13.459 1.00 62.34 H new ATOM 0 HA VAL A 64 13.142 7.012 -14.538 1.00 11.30 H new ATOM 0 HB VAL A 64 12.858 10.042 -14.444 1.00 43.44 H new ATOM 0 HG11 VAL A 64 10.434 9.659 -14.620 1.00 61.43 H new ATOM 0 HG12 VAL A 64 11.297 9.109 -16.075 1.00 61.43 H new ATOM 0 HG13 VAL A 64 10.730 7.923 -14.876 1.00 61.43 H new ATOM 0 HG21 VAL A 64 11.541 9.597 -12.413 1.00 65.53 H new ATOM 0 HG22 VAL A 64 11.885 7.858 -12.576 1.00 65.53 H new ATOM 0 HG23 VAL A 64 13.211 9.002 -12.261 1.00 65.53 H new ATOM 950 N LEU A 65 14.395 9.026 -16.810 1.00 71.31 N ATOM 951 CA LEU A 65 14.556 9.234 -18.245 1.00 24.31 C ATOM 952 C LEU A 65 15.849 8.598 -18.745 1.00 64.32 C ATOM 953 O LEU A 65 16.780 8.341 -17.981 1.00 41.21 O ATOM 954 CB LEU A 65 14.552 10.729 -18.567 1.00 41.02 C ATOM 955 CG LEU A 65 13.176 11.382 -18.707 1.00 23.41 C ATOM 956 CD1 LEU A 65 12.423 10.791 -19.889 1.00 1.22 C ATOM 957 CD2 LEU A 65 12.375 11.216 -17.424 1.00 75.43 C ATOM 0 H LEU A 65 14.986 9.621 -16.229 1.00 71.31 H new ATOM 0 HA LEU A 65 13.718 8.757 -18.753 1.00 24.31 H new ATOM 0 HB2 LEU A 65 15.101 11.251 -17.783 1.00 41.02 H new ATOM 0 HB3 LEU A 65 15.101 10.882 -19.496 1.00 41.02 H new ATOM 0 HG LEU A 65 13.316 12.448 -18.889 1.00 23.41 H new ATOM 0 HD11 LEU A 65 11.446 11.267 -19.973 1.00 1.22 H new ATOM 0 HD12 LEU A 65 12.990 10.962 -20.804 1.00 1.22 H new ATOM 0 HD13 LEU A 65 12.292 9.719 -19.738 1.00 1.22 H new ATOM 0 HD21 LEU A 65 11.399 11.686 -17.541 1.00 75.43 H new ATOM 0 HD22 LEU A 65 12.243 10.155 -17.212 1.00 75.43 H new ATOM 0 HD23 LEU A 65 12.908 11.688 -16.599 1.00 75.43 H new ATOM 969 N PRO A 66 15.912 8.338 -20.060 1.00 14.53 N ATOM 970 CA PRO A 66 17.087 7.732 -20.692 1.00 51.12 C ATOM 971 C PRO A 66 18.282 8.679 -20.723 1.00 30.43 C ATOM 972 O PRO A 66 18.144 9.856 -21.051 1.00 45.55 O ATOM 973 CB PRO A 66 16.608 7.430 -22.114 1.00 71.52 C ATOM 974 CG PRO A 66 15.509 8.405 -22.360 1.00 2.35 C ATOM 975 CD PRO A 66 14.840 8.618 -21.030 1.00 33.10 C ATOM 0 HA PRO A 66 17.435 6.854 -20.148 1.00 51.12 H new ATOM 0 HB2 PRO A 66 17.414 7.552 -22.837 1.00 71.52 H new ATOM 0 HB3 PRO A 66 16.253 6.403 -22.202 1.00 71.52 H new ATOM 0 HG2 PRO A 66 15.900 9.343 -22.755 1.00 2.35 H new ATOM 0 HG3 PRO A 66 14.802 8.020 -23.095 1.00 2.35 H new ATOM 0 HD2 PRO A 66 14.462 9.635 -20.929 1.00 33.10 H new ATOM 0 HD3 PRO A 66 13.991 7.948 -20.895 1.00 33.10 H new ATOM 983 N ALA A 67 19.454 8.156 -20.378 1.00 61.43 N ATOM 984 CA ALA A 67 20.674 8.954 -20.369 1.00 33.11 C ATOM 985 C ALA A 67 20.878 9.660 -21.705 1.00 62.41 C ATOM 986 O ALA A 67 20.857 9.028 -22.761 1.00 60.43 O ATOM 987 CB ALA A 67 21.875 8.079 -20.043 1.00 32.23 C ATOM 0 H ALA A 67 19.584 7.183 -20.101 1.00 61.43 H new ATOM 0 HA ALA A 67 20.574 9.717 -19.597 1.00 33.11 H new ATOM 0 HB1 ALA A 67 22.779 8.688 -20.040 1.00 32.23 H new ATOM 0 HB2 ALA A 67 21.739 7.626 -19.061 1.00 32.23 H new ATOM 0 HB3 ALA A 67 21.969 7.295 -20.794 1.00 32.23 H new ATOM 993 N SER A 68 21.075 10.973 -21.651 1.00 64.05 N ATOM 994 CA SER A 68 21.279 11.765 -22.859 1.00 2.34 C ATOM 995 C SER A 68 21.447 13.243 -22.517 1.00 32.33 C ATOM 996 O SER A 68 22.197 13.964 -23.175 1.00 62.11 O ATOM 997 CB SER A 68 20.102 11.583 -23.819 1.00 22.43 C ATOM 998 OG SER A 68 19.926 12.728 -24.634 1.00 4.43 O ATOM 0 H SER A 68 21.098 11.511 -20.785 1.00 64.05 H new ATOM 0 HA SER A 68 22.191 11.415 -23.343 1.00 2.34 H new ATOM 0 HB2 SER A 68 20.273 10.709 -24.447 1.00 22.43 H new ATOM 0 HB3 SER A 68 19.191 11.394 -23.251 1.00 22.43 H new ATOM 0 HG SER A 68 19.169 12.585 -25.239 1.00 4.43 H new ATOM 1004 N THR A 69 20.742 13.688 -21.481 1.00 73.13 N ATOM 1005 CA THR A 69 20.810 15.079 -21.051 1.00 61.33 C ATOM 1006 C THR A 69 21.481 15.200 -19.688 1.00 0.31 C ATOM 1007 O THR A 69 21.216 16.139 -18.936 1.00 30.22 O ATOM 1008 CB THR A 69 19.409 15.714 -20.980 1.00 12.22 C ATOM 1009 OG1 THR A 69 19.517 17.103 -20.649 1.00 41.23 O ATOM 1010 CG2 THR A 69 18.546 15.007 -19.945 1.00 42.31 C ATOM 0 H THR A 69 20.117 13.105 -20.924 1.00 73.13 H new ATOM 0 HA THR A 69 21.404 15.611 -21.794 1.00 61.33 H new ATOM 0 HB THR A 69 18.937 15.609 -21.957 1.00 12.22 H new ATOM 0 HG1 THR A 69 19.923 17.197 -19.762 1.00 41.23 H new ATOM 0 HG21 THR A 69 17.561 15.473 -19.913 1.00 42.31 H new ATOM 0 HG22 THR A 69 18.442 13.956 -20.215 1.00 42.31 H new ATOM 0 HG23 THR A 69 19.016 15.085 -18.965 1.00 42.31 H new ATOM 1018 N HIS A 70 22.352 14.246 -19.375 1.00 11.12 N ATOM 1019 CA HIS A 70 23.062 14.248 -18.101 1.00 24.41 C ATOM 1020 C HIS A 70 23.790 15.571 -17.886 1.00 43.34 C ATOM 1021 O HIS A 70 23.686 16.183 -16.823 1.00 23.41 O ATOM 1022 CB HIS A 70 24.059 13.090 -18.048 1.00 23.45 C ATOM 1023 CG HIS A 70 24.937 12.998 -19.258 1.00 12.32 C ATOM 1024 ND1 HIS A 70 26.174 13.602 -19.337 1.00 61.15 N ATOM 1025 CD2 HIS A 70 24.751 12.368 -20.441 1.00 33.52 C ATOM 1026 CE1 HIS A 70 26.710 13.348 -20.518 1.00 23.32 C ATOM 1027 NE2 HIS A 70 25.867 12.600 -21.206 1.00 52.13 N ATOM 0 H HIS A 70 22.583 13.462 -19.986 1.00 11.12 H new ATOM 0 HA HIS A 70 22.328 14.124 -17.304 1.00 24.41 H new ATOM 0 HB2 HIS A 70 24.685 13.201 -17.163 1.00 23.45 H new ATOM 0 HB3 HIS A 70 23.511 12.155 -17.935 1.00 23.45 H new ATOM 0 HD2 HIS A 70 23.885 11.790 -20.730 1.00 33.52 H new ATOM 0 HE1 HIS A 70 27.674 13.694 -20.862 1.00 23.32 H new ATOM 0 HE2 HIS A 70 26.020 12.251 -22.152 1.00 52.13 H new ATOM 1035 N ARG A 71 24.527 16.007 -18.903 1.00 3.22 N ATOM 1036 CA ARG A 71 25.274 17.257 -18.824 1.00 70.04 C ATOM 1037 C ARG A 71 24.372 18.401 -18.370 1.00 44.34 C ATOM 1038 O ARG A 71 24.635 19.045 -17.355 1.00 71.02 O ATOM 1039 CB ARG A 71 25.895 17.591 -20.182 1.00 22.31 C ATOM 1040 CG ARG A 71 27.345 17.154 -20.312 1.00 3.00 C ATOM 1041 CD ARG A 71 27.968 17.668 -21.601 1.00 23.44 C ATOM 1042 NE ARG A 71 29.329 18.155 -21.394 1.00 43.41 N ATOM 1043 CZ ARG A 71 30.389 17.360 -21.298 1.00 74.35 C ATOM 1044 NH1 ARG A 71 30.245 16.045 -21.391 1.00 33.12 N ATOM 1045 NH2 ARG A 71 31.595 17.879 -21.111 1.00 22.14 N ATOM 0 H ARG A 71 24.623 15.514 -19.791 1.00 3.22 H new ATOM 0 HA ARG A 71 26.069 17.131 -18.089 1.00 70.04 H new ATOM 0 HB2 ARG A 71 25.309 17.114 -20.967 1.00 22.31 H new ATOM 0 HB3 ARG A 71 25.832 18.667 -20.346 1.00 22.31 H new ATOM 0 HG2 ARG A 71 27.915 17.522 -19.459 1.00 3.00 H new ATOM 0 HG3 ARG A 71 27.402 16.066 -20.288 1.00 3.00 H new ATOM 0 HD2 ARG A 71 27.978 16.869 -22.343 1.00 23.44 H new ATOM 0 HD3 ARG A 71 27.353 18.472 -22.006 1.00 23.44 H new ATOM 0 HE ARG A 71 29.474 19.162 -21.319 1.00 43.41 H new ATOM 0 HH11 ARG A 71 29.319 15.642 -21.537 1.00 33.12 H new ATOM 0 HH12 ARG A 71 31.060 15.436 -21.317 1.00 33.12 H new ATOM 0 HH21 ARG A 71 31.710 18.890 -21.041 1.00 22.14 H new ATOM 0 HH22 ARG A 71 32.408 17.267 -21.037 1.00 22.14 H new ATOM 1059 N GLU A 72 23.310 18.648 -19.130 1.00 40.25 N ATOM 1060 CA GLU A 72 22.371 19.716 -18.806 1.00 62.23 C ATOM 1061 C GLU A 72 21.894 19.601 -17.361 1.00 61.43 C ATOM 1062 O GLU A 72 22.031 20.538 -16.575 1.00 3.11 O ATOM 1063 CB GLU A 72 21.172 19.676 -19.756 1.00 12.15 C ATOM 1064 CG GLU A 72 21.217 20.741 -20.839 1.00 25.42 C ATOM 1065 CD GLU A 72 19.845 21.068 -21.393 1.00 74.14 C ATOM 1066 OE1 GLU A 72 18.844 20.802 -20.696 1.00 75.53 O ATOM 1067 OE2 GLU A 72 19.772 21.591 -22.525 1.00 70.02 O ATOM 0 H GLU A 72 23.078 18.124 -19.974 1.00 40.25 H new ATOM 0 HA GLU A 72 22.888 20.668 -18.925 1.00 62.23 H new ATOM 0 HB2 GLU A 72 21.124 18.694 -20.226 1.00 12.15 H new ATOM 0 HB3 GLU A 72 20.256 19.797 -19.177 1.00 12.15 H new ATOM 0 HG2 GLU A 72 21.666 21.647 -20.433 1.00 25.42 H new ATOM 0 HG3 GLU A 72 21.861 20.402 -21.650 1.00 25.42 H new ATOM 1074 N ILE A 73 21.333 18.445 -17.020 1.00 43.41 N ATOM 1075 CA ILE A 73 20.836 18.207 -15.671 1.00 4.34 C ATOM 1076 C ILE A 73 21.916 18.486 -14.630 1.00 60.42 C ATOM 1077 O ILE A 73 21.635 19.022 -13.559 1.00 43.11 O ATOM 1078 CB ILE A 73 20.337 16.760 -15.502 1.00 4.13 C ATOM 1079 CG1 ILE A 73 19.196 16.474 -16.479 1.00 71.34 C ATOM 1080 CG2 ILE A 73 19.888 16.519 -14.068 1.00 74.24 C ATOM 1081 CD1 ILE A 73 17.954 17.297 -16.216 1.00 62.34 C ATOM 0 H ILE A 73 21.212 17.660 -17.659 1.00 43.41 H new ATOM 0 HA ILE A 73 20.001 18.891 -15.517 1.00 4.34 H new ATOM 0 HB ILE A 73 21.159 16.079 -15.724 1.00 4.13 H new ATOM 0 HG12 ILE A 73 19.541 16.667 -17.495 1.00 71.34 H new ATOM 0 HG13 ILE A 73 18.939 15.416 -16.425 1.00 71.34 H new ATOM 0 HG21 ILE A 73 19.538 15.492 -13.964 1.00 74.24 H new ATOM 0 HG22 ILE A 73 20.726 16.687 -13.391 1.00 74.24 H new ATOM 0 HG23 ILE A 73 19.078 17.205 -13.820 1.00 74.24 H new ATOM 0 HD11 ILE A 73 17.187 17.042 -16.947 1.00 62.34 H new ATOM 0 HD12 ILE A 73 17.584 17.087 -15.213 1.00 62.34 H new ATOM 0 HD13 ILE A 73 18.195 18.357 -16.299 1.00 62.34 H new ATOM 1093 N GLU A 74 23.152 18.118 -14.955 1.00 12.42 N ATOM 1094 CA GLU A 74 24.274 18.330 -14.048 1.00 31.11 C ATOM 1095 C GLU A 74 24.454 19.814 -13.742 1.00 33.02 C ATOM 1096 O GLU A 74 24.531 20.214 -12.581 1.00 22.15 O ATOM 1097 CB GLU A 74 25.560 17.763 -14.652 1.00 23.12 C ATOM 1098 CG GLU A 74 25.986 16.438 -14.042 1.00 65.12 C ATOM 1099 CD GLU A 74 27.485 16.215 -14.119 1.00 15.52 C ATOM 1100 OE1 GLU A 74 27.998 16.022 -15.241 1.00 3.44 O ATOM 1101 OE2 GLU A 74 28.143 16.234 -13.058 1.00 13.21 O ATOM 0 H GLU A 74 23.401 17.672 -15.838 1.00 12.42 H new ATOM 0 HA GLU A 74 24.058 17.809 -13.116 1.00 31.11 H new ATOM 0 HB2 GLU A 74 25.420 17.631 -15.725 1.00 23.12 H new ATOM 0 HB3 GLU A 74 26.363 18.488 -14.522 1.00 23.12 H new ATOM 0 HG2 GLU A 74 25.671 16.404 -12.999 1.00 65.12 H new ATOM 0 HG3 GLU A 74 25.475 15.624 -14.556 1.00 65.12 H new ATOM 1108 N MET A 75 24.520 20.625 -14.793 1.00 11.05 N ATOM 1109 CA MET A 75 24.690 22.065 -14.636 1.00 60.04 C ATOM 1110 C MET A 75 23.420 22.706 -14.087 1.00 54.12 C ATOM 1111 O MET A 75 23.463 23.786 -13.499 1.00 53.32 O ATOM 1112 CB MET A 75 25.060 22.705 -15.976 1.00 60.40 C ATOM 1113 CG MET A 75 26.494 22.436 -16.402 1.00 61.33 C ATOM 1114 SD MET A 75 27.311 23.904 -17.056 1.00 42.12 S ATOM 1115 CE MET A 75 29.029 23.500 -16.751 1.00 62.32 C ATOM 0 H MET A 75 24.458 20.310 -15.761 1.00 11.05 H new ATOM 0 HA MET A 75 25.498 22.235 -13.924 1.00 60.04 H new ATOM 0 HB2 MET A 75 24.385 22.332 -16.746 1.00 60.40 H new ATOM 0 HB3 MET A 75 24.905 23.782 -15.910 1.00 60.40 H new ATOM 0 HG2 MET A 75 27.058 22.061 -15.548 1.00 61.33 H new ATOM 0 HG3 MET A 75 26.503 21.652 -17.159 1.00 61.33 H new ATOM 0 HE1 MET A 75 29.662 24.315 -17.102 1.00 62.32 H new ATOM 0 HE2 MET A 75 29.184 23.355 -15.682 1.00 62.32 H new ATOM 0 HE3 MET A 75 29.287 22.584 -17.283 1.00 62.32 H new ATOM 1125 N ALA A 76 22.290 22.034 -14.283 1.00 62.43 N ATOM 1126 CA ALA A 76 21.008 22.537 -13.806 1.00 4.40 C ATOM 1127 C ALA A 76 20.971 22.586 -12.282 1.00 53.33 C ATOM 1128 O ALA A 76 20.394 23.502 -11.696 1.00 74.34 O ATOM 1129 CB ALA A 76 19.872 21.676 -14.337 1.00 21.03 C ATOM 0 H ALA A 76 22.237 21.139 -14.769 1.00 62.43 H new ATOM 0 HA ALA A 76 20.882 23.553 -14.179 1.00 4.40 H new ATOM 0 HB1 ALA A 76 18.921 22.064 -13.973 1.00 21.03 H new ATOM 0 HB2 ALA A 76 19.879 21.697 -15.427 1.00 21.03 H new ATOM 0 HB3 ALA A 76 20.002 20.650 -13.993 1.00 21.03 H new ATOM 1135 N GLN A 77 21.589 21.595 -11.648 1.00 14.43 N ATOM 1136 CA GLN A 77 21.624 21.526 -10.192 1.00 34.14 C ATOM 1137 C GLN A 77 22.358 22.728 -9.607 1.00 33.03 C ATOM 1138 O GLN A 77 21.774 23.533 -8.881 1.00 34.00 O ATOM 1139 CB GLN A 77 22.299 20.231 -9.738 1.00 21.41 C ATOM 1140 CG GLN A 77 21.446 18.991 -9.954 1.00 53.33 C ATOM 1141 CD GLN A 77 22.023 17.761 -9.282 1.00 75.12 C ATOM 1142 OE1 GLN A 77 23.237 17.555 -9.274 1.00 54.51 O ATOM 1143 NE2 GLN A 77 21.153 16.934 -8.713 1.00 51.24 N ATOM 0 H GLN A 77 22.072 20.830 -12.119 1.00 14.43 H new ATOM 0 HA GLN A 77 20.597 21.539 -9.828 1.00 34.14 H new ATOM 0 HB2 GLN A 77 23.239 20.113 -10.277 1.00 21.41 H new ATOM 0 HB3 GLN A 77 22.546 20.312 -8.679 1.00 21.41 H new ATOM 0 HG2 GLN A 77 20.443 19.173 -9.569 1.00 53.33 H new ATOM 0 HG3 GLN A 77 21.348 18.804 -11.023 1.00 53.33 H new ATOM 0 HE21 GLN A 77 20.155 17.144 -8.743 1.00 51.24 H new ATOM 0 HE22 GLN A 77 21.483 16.089 -8.246 1.00 51.24 H new ATOM 1152 N LYS A 78 23.642 22.844 -9.927 1.00 21.32 N ATOM 1153 CA LYS A 78 24.457 23.948 -9.435 1.00 23.25 C ATOM 1154 C LYS A 78 23.786 25.288 -9.718 1.00 4.02 C ATOM 1155 O LYS A 78 23.744 26.167 -8.856 1.00 44.31 O ATOM 1156 CB LYS A 78 25.844 23.913 -10.081 1.00 71.21 C ATOM 1157 CG LYS A 78 26.792 22.918 -9.434 1.00 73.43 C ATOM 1158 CD LYS A 78 28.244 23.311 -9.647 1.00 12.41 C ATOM 1159 CE LYS A 78 29.166 22.104 -9.570 1.00 13.04 C ATOM 1160 NZ LYS A 78 29.081 21.262 -10.795 1.00 51.10 N ATOM 0 H LYS A 78 24.141 22.186 -10.526 1.00 21.32 H new ATOM 0 HA LYS A 78 24.563 23.836 -8.356 1.00 23.25 H new ATOM 0 HB2 LYS A 78 25.737 23.666 -11.137 1.00 71.21 H new ATOM 0 HB3 LYS A 78 26.285 24.909 -10.029 1.00 71.21 H new ATOM 0 HG2 LYS A 78 26.584 22.857 -8.366 1.00 73.43 H new ATOM 0 HG3 LYS A 78 26.618 21.925 -9.850 1.00 73.43 H new ATOM 0 HD2 LYS A 78 28.353 23.792 -10.619 1.00 12.41 H new ATOM 0 HD3 LYS A 78 28.538 24.043 -8.895 1.00 12.41 H new ATOM 0 HE2 LYS A 78 30.193 22.440 -9.431 1.00 13.04 H new ATOM 0 HE3 LYS A 78 28.906 21.504 -8.698 1.00 13.04 H new ATOM 0 HZ1 LYS A 78 29.859 20.572 -10.797 1.00 51.10 H new ATOM 0 HZ2 LYS A 78 28.171 20.758 -10.807 1.00 51.10 H new ATOM 0 HZ3 LYS A 78 29.153 21.867 -11.638 1.00 51.10 H new ATOM 1174 N LEU A 79 23.262 25.437 -10.929 1.00 14.40 N ATOM 1175 CA LEU A 79 22.591 26.671 -11.325 1.00 74.43 C ATOM 1176 C LEU A 79 21.444 26.997 -10.373 1.00 63.15 C ATOM 1177 O LEU A 79 21.268 28.147 -9.968 1.00 75.34 O ATOM 1178 CB LEU A 79 22.062 26.550 -12.756 1.00 21.23 C ATOM 1179 CG LEU A 79 22.888 27.247 -13.837 1.00 70.15 C ATOM 1180 CD1 LEU A 79 24.236 26.562 -14.004 1.00 54.25 C ATOM 1181 CD2 LEU A 79 22.130 27.266 -15.157 1.00 44.51 C ATOM 0 H LEU A 79 23.288 24.720 -11.654 1.00 14.40 H new ATOM 0 HA LEU A 79 23.318 27.482 -11.280 1.00 74.43 H new ATOM 0 HB2 LEU A 79 21.990 25.492 -13.007 1.00 21.23 H new ATOM 0 HB3 LEU A 79 21.050 26.954 -12.783 1.00 21.23 H new ATOM 0 HG LEU A 79 23.063 28.277 -13.526 1.00 70.15 H new ATOM 0 HD11 LEU A 79 24.810 27.072 -14.778 1.00 54.25 H new ATOM 0 HD12 LEU A 79 24.783 26.600 -13.062 1.00 54.25 H new ATOM 0 HD13 LEU A 79 24.082 25.522 -14.292 1.00 54.25 H new ATOM 0 HD21 LEU A 79 22.733 27.766 -15.915 1.00 44.51 H new ATOM 0 HD22 LEU A 79 21.924 26.243 -15.473 1.00 44.51 H new ATOM 0 HD23 LEU A 79 21.190 27.802 -15.029 1.00 44.51 H new ATOM 1193 N LEU A 80 20.669 25.978 -10.018 1.00 41.32 N ATOM 1194 CA LEU A 80 19.540 26.156 -9.111 1.00 63.23 C ATOM 1195 C LEU A 80 19.983 26.830 -7.816 1.00 71.25 C ATOM 1196 O LEU A 80 19.338 27.762 -7.339 1.00 0.22 O ATOM 1197 CB LEU A 80 18.893 24.805 -8.801 1.00 53.21 C ATOM 1198 CG LEU A 80 17.472 24.605 -9.329 1.00 14.31 C ATOM 1199 CD1 LEU A 80 16.527 25.631 -8.721 1.00 62.22 C ATOM 1200 CD2 LEU A 80 17.450 24.692 -10.848 1.00 72.30 C ATOM 0 H LEU A 80 20.801 25.021 -10.344 1.00 41.32 H new ATOM 0 HA LEU A 80 18.809 26.799 -9.601 1.00 63.23 H new ATOM 0 HB2 LEU A 80 19.526 24.019 -9.212 1.00 53.21 H new ATOM 0 HB3 LEU A 80 18.880 24.671 -7.719 1.00 53.21 H new ATOM 0 HG LEU A 80 17.133 23.611 -9.037 1.00 14.31 H new ATOM 0 HD11 LEU A 80 15.520 25.473 -9.108 1.00 62.22 H new ATOM 0 HD12 LEU A 80 16.520 25.521 -7.637 1.00 62.22 H new ATOM 0 HD13 LEU A 80 16.863 26.635 -8.982 1.00 62.22 H new ATOM 0 HD21 LEU A 80 16.431 24.547 -11.206 1.00 72.30 H new ATOM 0 HD22 LEU A 80 17.809 25.672 -11.162 1.00 72.30 H new ATOM 0 HD23 LEU A 80 18.095 23.919 -11.266 1.00 72.30 H new ATOM 1212 N ASN A 81 21.089 26.352 -7.255 1.00 13.12 N ATOM 1213 CA ASN A 81 21.619 26.910 -6.016 1.00 32.32 C ATOM 1214 C ASN A 81 21.842 28.413 -6.148 1.00 4.22 C ATOM 1215 O ASN A 81 21.192 29.210 -5.471 1.00 60.41 O ATOM 1216 CB ASN A 81 22.932 26.218 -5.642 1.00 15.54 C ATOM 1217 CG ASN A 81 22.845 25.493 -4.313 1.00 35.21 C ATOM 1218 OD1 ASN A 81 23.298 25.998 -3.286 1.00 42.21 O ATOM 1219 ND2 ASN A 81 22.260 24.301 -4.327 1.00 74.32 N ATOM 0 H ASN A 81 21.635 25.580 -7.638 1.00 13.12 H new ATOM 0 HA ASN A 81 20.888 26.738 -5.226 1.00 32.32 H new ATOM 0 HB2 ASN A 81 23.200 25.507 -6.424 1.00 15.54 H new ATOM 0 HB3 ASN A 81 23.730 26.959 -5.597 1.00 15.54 H new ATOM 0 HD21 ASN A 81 22.172 23.766 -3.463 1.00 74.32 H new ATOM 0 HD22 ASN A 81 21.898 23.921 -5.202 1.00 74.32 H new ATOM 1226 N SER A 82 22.766 28.794 -7.024 1.00 64.22 N ATOM 1227 CA SER A 82 23.078 30.201 -7.243 1.00 44.32 C ATOM 1228 C SER A 82 21.813 30.997 -7.550 1.00 23.03 C ATOM 1229 O SER A 82 21.569 32.048 -6.958 1.00 2.53 O ATOM 1230 CB SER A 82 24.079 30.351 -8.391 1.00 3.25 C ATOM 1231 OG SER A 82 25.343 30.778 -7.912 1.00 62.43 O ATOM 0 H SER A 82 23.312 28.148 -7.594 1.00 64.22 H new ATOM 0 HA SER A 82 23.522 30.595 -6.329 1.00 44.32 H new ATOM 0 HB2 SER A 82 24.186 29.399 -8.911 1.00 3.25 H new ATOM 0 HB3 SER A 82 23.700 31.070 -9.117 1.00 3.25 H new ATOM 0 HG SER A 82 25.965 30.865 -8.664 1.00 62.43 H new ATOM 1237 N ASP A 83 21.012 30.487 -8.479 1.00 3.31 N ATOM 1238 CA ASP A 83 19.771 31.148 -8.865 1.00 0.53 C ATOM 1239 C ASP A 83 18.919 31.462 -7.639 1.00 53.30 C ATOM 1240 O ASP A 83 18.353 32.550 -7.525 1.00 55.33 O ATOM 1241 CB ASP A 83 18.983 30.272 -9.839 1.00 35.43 C ATOM 1242 CG ASP A 83 19.683 30.115 -11.174 1.00 22.11 C ATOM 1243 OD1 ASP A 83 20.418 31.044 -11.572 1.00 33.54 O ATOM 1244 OD2 ASP A 83 19.498 29.063 -11.821 1.00 13.21 O ATOM 0 H ASP A 83 21.200 29.618 -8.979 1.00 3.31 H new ATOM 0 HA ASP A 83 20.026 32.086 -9.358 1.00 0.53 H new ATOM 0 HB2 ASP A 83 18.829 29.288 -9.395 1.00 35.43 H new ATOM 0 HB3 ASP A 83 17.997 30.708 -9.998 1.00 35.43 H new ATOM 1249 N LEU A 84 18.831 30.503 -6.725 1.00 32.33 N ATOM 1250 CA LEU A 84 18.046 30.676 -5.507 1.00 23.21 C ATOM 1251 C LEU A 84 18.458 31.946 -4.770 1.00 2.11 C ATOM 1252 O LEU A 84 17.646 32.847 -4.565 1.00 10.44 O ATOM 1253 CB LEU A 84 18.216 29.463 -4.591 1.00 24.15 C ATOM 1254 CG LEU A 84 17.268 29.387 -3.394 1.00 15.52 C ATOM 1255 CD1 LEU A 84 15.873 28.978 -3.843 1.00 4.20 C ATOM 1256 CD2 LEU A 84 17.801 28.416 -2.351 1.00 34.01 C ATOM 0 H LEU A 84 19.293 29.597 -6.803 1.00 32.33 H new ATOM 0 HA LEU A 84 16.997 30.766 -5.789 1.00 23.21 H new ATOM 0 HB2 LEU A 84 18.087 28.561 -5.189 1.00 24.15 H new ATOM 0 HB3 LEU A 84 19.240 29.455 -4.219 1.00 24.15 H new ATOM 0 HG LEU A 84 17.206 30.376 -2.941 1.00 15.52 H new ATOM 0 HD11 LEU A 84 15.212 28.929 -2.978 1.00 4.20 H new ATOM 0 HD12 LEU A 84 15.489 29.712 -4.552 1.00 4.20 H new ATOM 0 HD13 LEU A 84 15.917 28.000 -4.322 1.00 4.20 H new ATOM 0 HD21 LEU A 84 17.113 28.375 -1.507 1.00 34.01 H new ATOM 0 HD22 LEU A 84 17.894 27.423 -2.792 1.00 34.01 H new ATOM 0 HD23 LEU A 84 18.779 28.753 -2.006 1.00 34.01 H new ATOM 1268 N ALA A 85 19.726 32.011 -4.376 1.00 71.11 N ATOM 1269 CA ALA A 85 20.247 33.172 -3.666 1.00 12.31 C ATOM 1270 C ALA A 85 19.926 34.462 -4.414 1.00 3.24 C ATOM 1271 O ALA A 85 19.345 35.389 -3.850 1.00 23.45 O ATOM 1272 CB ALA A 85 21.749 33.037 -3.463 1.00 34.13 C ATOM 0 H ALA A 85 20.411 31.273 -4.537 1.00 71.11 H new ATOM 0 HA ALA A 85 19.763 33.218 -2.691 1.00 12.31 H new ATOM 0 HB1 ALA A 85 22.124 33.911 -2.931 1.00 34.13 H new ATOM 0 HB2 ALA A 85 21.958 32.140 -2.880 1.00 34.13 H new ATOM 0 HB3 ALA A 85 22.242 32.962 -4.432 1.00 34.13 H new ATOM 1278 N GLU A 86 20.310 34.514 -5.685 1.00 53.54 N ATOM 1279 CA GLU A 86 20.064 35.693 -6.509 1.00 32.52 C ATOM 1280 C GLU A 86 18.583 36.060 -6.505 1.00 34.35 C ATOM 1281 O GLU A 86 18.223 37.237 -6.450 1.00 21.40 O ATOM 1282 CB GLU A 86 20.535 35.447 -7.944 1.00 24.25 C ATOM 1283 CG GLU A 86 21.816 36.185 -8.298 1.00 75.52 C ATOM 1284 CD GLU A 86 21.938 36.460 -9.784 1.00 74.13 C ATOM 1285 OE1 GLU A 86 21.454 35.630 -10.582 1.00 72.15 O ATOM 1286 OE2 GLU A 86 22.517 37.504 -10.149 1.00 53.23 O ATOM 0 H GLU A 86 20.792 33.755 -6.167 1.00 53.54 H new ATOM 0 HA GLU A 86 20.628 36.524 -6.086 1.00 32.52 H new ATOM 0 HB2 GLU A 86 20.690 34.378 -8.089 1.00 24.25 H new ATOM 0 HB3 GLU A 86 19.748 35.751 -8.633 1.00 24.25 H new ATOM 0 HG2 GLU A 86 21.850 37.129 -7.754 1.00 75.52 H new ATOM 0 HG3 GLU A 86 22.673 35.597 -7.969 1.00 75.52 H new ATOM 1293 N LEU A 87 17.728 35.045 -6.563 1.00 74.21 N ATOM 1294 CA LEU A 87 16.285 35.259 -6.567 1.00 14.25 C ATOM 1295 C LEU A 87 15.813 35.814 -5.226 1.00 43.11 C ATOM 1296 O LEU A 87 15.287 36.925 -5.154 1.00 34.22 O ATOM 1297 CB LEU A 87 15.555 33.950 -6.874 1.00 43.33 C ATOM 1298 CG LEU A 87 14.206 34.084 -7.582 1.00 23.23 C ATOM 1299 CD1 LEU A 87 13.385 35.202 -6.958 1.00 71.51 C ATOM 1300 CD2 LEU A 87 14.407 34.333 -9.070 1.00 34.05 C ATOM 0 H LEU A 87 18.009 34.065 -6.608 1.00 74.21 H new ATOM 0 HA LEU A 87 16.054 35.988 -7.344 1.00 14.25 H new ATOM 0 HB2 LEU A 87 16.206 33.330 -7.490 1.00 43.33 H new ATOM 0 HB3 LEU A 87 15.399 33.416 -5.937 1.00 43.33 H new ATOM 0 HG LEU A 87 13.659 33.149 -7.462 1.00 23.23 H new ATOM 0 HD11 LEU A 87 12.429 35.283 -7.474 1.00 71.51 H new ATOM 0 HD12 LEU A 87 13.211 34.982 -5.905 1.00 71.51 H new ATOM 0 HD13 LEU A 87 13.926 36.144 -7.047 1.00 71.51 H new ATOM 0 HD21 LEU A 87 13.437 34.426 -9.558 1.00 34.05 H new ATOM 0 HD22 LEU A 87 14.974 35.253 -9.212 1.00 34.05 H new ATOM 0 HD23 LEU A 87 14.955 33.499 -9.508 1.00 34.05 H new ATOM 1312 N ILE A 88 16.008 35.035 -4.168 1.00 22.13 N ATOM 1313 CA ILE A 88 15.606 35.450 -2.830 1.00 1.24 C ATOM 1314 C ILE A 88 16.170 36.825 -2.488 1.00 41.10 C ATOM 1315 O ILE A 88 15.523 37.621 -1.809 1.00 41.43 O ATOM 1316 CB ILE A 88 16.068 34.439 -1.764 1.00 30.03 C ATOM 1317 CG1 ILE A 88 15.540 33.041 -2.093 1.00 2.11 C ATOM 1318 CG2 ILE A 88 15.602 34.875 -0.383 1.00 3.33 C ATOM 1319 CD1 ILE A 88 14.030 32.959 -2.134 1.00 3.43 C ATOM 0 H ILE A 88 16.442 34.113 -4.211 1.00 22.13 H new ATOM 0 HA ILE A 88 14.517 35.496 -2.828 1.00 1.24 H new ATOM 0 HB ILE A 88 17.157 34.405 -1.765 1.00 30.03 H new ATOM 0 HG12 ILE A 88 15.939 32.729 -3.058 1.00 2.11 H new ATOM 0 HG13 ILE A 88 15.914 32.336 -1.350 1.00 2.11 H new ATOM 0 HG21 ILE A 88 15.936 34.150 0.359 1.00 3.33 H new ATOM 0 HG22 ILE A 88 16.022 35.854 -0.150 1.00 3.33 H new ATOM 0 HG23 ILE A 88 14.514 34.934 -0.368 1.00 3.33 H new ATOM 0 HD11 ILE A 88 13.727 31.939 -2.373 1.00 3.43 H new ATOM 0 HD12 ILE A 88 13.624 33.240 -1.162 1.00 3.43 H new ATOM 0 HD13 ILE A 88 13.649 33.638 -2.897 1.00 3.43 H new ATOM 1331 N ASN A 89 17.380 37.097 -2.965 1.00 44.41 N ATOM 1332 CA ASN A 89 18.032 38.377 -2.711 1.00 52.34 C ATOM 1333 C ASN A 89 17.234 39.525 -3.324 1.00 63.51 C ATOM 1334 O ASN A 89 16.791 40.433 -2.621 1.00 33.52 O ATOM 1335 CB ASN A 89 19.454 38.371 -3.277 1.00 35.42 C ATOM 1336 CG ASN A 89 20.126 39.726 -3.168 1.00 35.33 C ATOM 1337 OD1 ASN A 89 20.223 40.297 -2.082 1.00 0.04 O ATOM 1338 ND2 ASN A 89 20.593 40.247 -4.296 1.00 73.23 N ATOM 0 H ASN A 89 17.929 36.449 -3.529 1.00 44.41 H new ATOM 0 HA ASN A 89 18.078 38.525 -1.632 1.00 52.34 H new ATOM 0 HB2 ASN A 89 20.050 37.629 -2.746 1.00 35.42 H new ATOM 0 HB3 ASN A 89 19.424 38.066 -4.323 1.00 35.42 H new ATOM 0 HD21 ASN A 89 21.055 41.157 -4.285 1.00 73.23 H new ATOM 0 HD22 ASN A 89 20.490 39.738 -5.174 1.00 73.23 H new ATOM 1345 N LYS A 90 17.055 39.477 -4.640 1.00 21.32 N ATOM 1346 CA LYS A 90 16.310 40.510 -5.349 1.00 74.20 C ATOM 1347 C LYS A 90 14.946 40.736 -4.705 1.00 33.14 C ATOM 1348 O LYS A 90 14.496 41.873 -4.565 1.00 73.22 O ATOM 1349 CB LYS A 90 16.133 40.122 -6.819 1.00 30.01 C ATOM 1350 CG LYS A 90 17.443 39.844 -7.536 1.00 74.41 C ATOM 1351 CD LYS A 90 17.822 40.984 -8.466 1.00 64.30 C ATOM 1352 CE LYS A 90 18.696 42.010 -7.761 1.00 52.43 C ATOM 1353 NZ LYS A 90 19.636 42.678 -8.703 1.00 4.31 N ATOM 0 H LYS A 90 17.416 38.733 -5.237 1.00 21.32 H new ATOM 0 HA LYS A 90 16.879 41.438 -5.290 1.00 74.20 H new ATOM 0 HB2 LYS A 90 15.501 39.236 -6.879 1.00 30.01 H new ATOM 0 HB3 LYS A 90 15.608 40.924 -7.337 1.00 30.01 H new ATOM 0 HG2 LYS A 90 18.235 39.693 -6.803 1.00 74.41 H new ATOM 0 HG3 LYS A 90 17.357 38.920 -8.108 1.00 74.41 H new ATOM 0 HD2 LYS A 90 18.351 40.588 -9.333 1.00 64.30 H new ATOM 0 HD3 LYS A 90 16.919 41.468 -8.838 1.00 64.30 H new ATOM 0 HE2 LYS A 90 18.064 42.760 -7.286 1.00 52.43 H new ATOM 0 HE3 LYS A 90 19.262 41.521 -6.968 1.00 52.43 H new ATOM 0 HZ1 LYS A 90 20.596 42.662 -8.304 1.00 4.31 H new ATOM 0 HZ2 LYS A 90 19.631 42.175 -9.613 1.00 4.31 H new ATOM 0 HZ3 LYS A 90 19.338 43.664 -8.850 1.00 4.31 H new ATOM 1367 N MET A 91 14.294 39.646 -4.312 1.00 53.33 N ATOM 1368 CA MET A 91 12.982 39.727 -3.680 1.00 1.21 C ATOM 1369 C MET A 91 13.073 40.424 -2.326 1.00 24.00 C ATOM 1370 O MET A 91 12.370 41.402 -2.071 1.00 23.14 O ATOM 1371 CB MET A 91 12.388 38.328 -3.507 1.00 62.14 C ATOM 1372 CG MET A 91 11.019 38.165 -4.148 1.00 44.42 C ATOM 1373 SD MET A 91 10.904 36.687 -5.174 1.00 34.24 S ATOM 1374 CE MET A 91 9.139 36.622 -5.476 1.00 23.55 C ATOM 0 H MET A 91 14.653 38.697 -4.420 1.00 53.33 H new ATOM 0 HA MET A 91 12.330 40.313 -4.328 1.00 1.21 H new ATOM 0 HB2 MET A 91 13.071 37.596 -3.938 1.00 62.14 H new ATOM 0 HB3 MET A 91 12.311 38.104 -2.443 1.00 62.14 H new ATOM 0 HG2 MET A 91 10.260 38.121 -3.367 1.00 44.42 H new ATOM 0 HG3 MET A 91 10.800 39.043 -4.756 1.00 44.42 H new ATOM 0 HE1 MET A 91 8.830 35.585 -5.603 1.00 23.55 H new ATOM 0 HE2 MET A 91 8.609 37.058 -4.629 1.00 23.55 H new ATOM 0 HE3 MET A 91 8.904 37.184 -6.380 1.00 23.55 H new ATOM 1384 N LYS A 92 13.944 39.914 -1.461 1.00 12.41 N ATOM 1385 CA LYS A 92 14.128 40.488 -0.133 1.00 64.31 C ATOM 1386 C LYS A 92 14.549 41.951 -0.226 1.00 25.11 C ATOM 1387 O LYS A 92 14.315 42.735 0.695 1.00 31.40 O ATOM 1388 CB LYS A 92 15.178 39.692 0.647 1.00 52.51 C ATOM 1389 CG LYS A 92 14.584 38.628 1.553 1.00 24.04 C ATOM 1390 CD LYS A 92 15.489 38.337 2.739 1.00 42.50 C ATOM 1391 CE LYS A 92 14.684 38.045 3.996 1.00 3.41 C ATOM 1392 NZ LYS A 92 15.064 36.741 4.607 1.00 14.30 N ATOM 0 H LYS A 92 14.533 39.105 -1.656 1.00 12.41 H new ATOM 0 HA LYS A 92 13.175 40.436 0.394 1.00 64.31 H new ATOM 0 HB2 LYS A 92 15.860 39.217 -0.058 1.00 52.51 H new ATOM 0 HB3 LYS A 92 15.771 40.381 1.249 1.00 52.51 H new ATOM 0 HG2 LYS A 92 13.608 38.957 1.911 1.00 24.04 H new ATOM 0 HG3 LYS A 92 14.423 37.713 0.984 1.00 24.04 H new ATOM 0 HD2 LYS A 92 16.129 37.485 2.509 1.00 42.50 H new ATOM 0 HD3 LYS A 92 16.145 39.190 2.915 1.00 42.50 H new ATOM 0 HE2 LYS A 92 14.839 38.845 4.720 1.00 3.41 H new ATOM 0 HE3 LYS A 92 13.621 38.036 3.753 1.00 3.41 H new ATOM 0 HZ1 LYS A 92 14.267 36.374 5.166 1.00 14.30 H new ATOM 0 HZ2 LYS A 92 15.302 36.062 3.856 1.00 14.30 H new ATOM 0 HZ3 LYS A 92 15.888 36.875 5.227 1.00 14.30 H new ATOM 1406 N LEU A 93 15.171 42.313 -1.343 1.00 13.23 N ATOM 1407 CA LEU A 93 15.623 43.683 -1.557 1.00 1.54 C ATOM 1408 C LEU A 93 14.438 44.624 -1.751 1.00 2.11 C ATOM 1409 O LEU A 93 14.274 45.593 -1.010 1.00 62.01 O ATOM 1410 CB LEU A 93 16.548 43.752 -2.773 1.00 2.11 C ATOM 1411 CG LEU A 93 17.996 43.320 -2.540 1.00 63.41 C ATOM 1412 CD1 LEU A 93 18.583 42.715 -3.806 1.00 50.23 C ATOM 1413 CD2 LEU A 93 18.836 44.499 -2.071 1.00 21.40 C ATOM 0 H LEU A 93 15.374 41.677 -2.114 1.00 13.23 H new ATOM 0 HA LEU A 93 16.173 44.000 -0.671 1.00 1.54 H new ATOM 0 HB2 LEU A 93 16.126 43.128 -3.561 1.00 2.11 H new ATOM 0 HB3 LEU A 93 16.551 44.777 -3.145 1.00 2.11 H new ATOM 0 HG LEU A 93 18.007 42.559 -1.760 1.00 63.41 H new ATOM 0 HD11 LEU A 93 19.614 42.413 -3.621 1.00 50.23 H new ATOM 0 HD12 LEU A 93 17.997 41.844 -4.098 1.00 50.23 H new ATOM 0 HD13 LEU A 93 18.559 43.454 -4.607 1.00 50.23 H new ATOM 0 HD21 LEU A 93 19.863 44.173 -1.910 1.00 21.40 H new ATOM 0 HD22 LEU A 93 18.818 45.282 -2.829 1.00 21.40 H new ATOM 0 HD23 LEU A 93 18.429 44.888 -1.138 1.00 21.40 H new ATOM 1425 N ALA A 94 13.614 44.330 -2.751 1.00 13.11 N ATOM 1426 CA ALA A 94 12.442 45.147 -3.040 1.00 35.12 C ATOM 1427 C ALA A 94 11.555 45.291 -1.807 1.00 62.42 C ATOM 1428 O ALA A 94 10.803 46.256 -1.683 1.00 11.44 O ATOM 1429 CB ALA A 94 11.651 44.547 -4.193 1.00 64.23 C ATOM 0 H ALA A 94 13.736 43.532 -3.375 1.00 13.11 H new ATOM 0 HA ALA A 94 12.785 46.141 -3.327 1.00 35.12 H new ATOM 0 HB1 ALA A 94 10.779 45.168 -4.398 1.00 64.23 H new ATOM 0 HB2 ALA A 94 12.281 44.502 -5.082 1.00 64.23 H new ATOM 0 HB3 ALA A 94 11.326 43.541 -3.927 1.00 64.23 H new ATOM 1435 N GLN A 95 11.649 44.324 -0.900 1.00 64.54 N ATOM 1436 CA GLN A 95 10.854 44.343 0.322 1.00 62.13 C ATOM 1437 C GLN A 95 11.277 45.494 1.228 1.00 3.12 C ATOM 1438 O GLN A 95 10.458 46.058 1.953 1.00 23.24 O ATOM 1439 CB GLN A 95 10.993 43.014 1.067 1.00 51.14 C ATOM 1440 CG GLN A 95 9.670 42.295 1.280 1.00 4.52 C ATOM 1441 CD GLN A 95 9.831 40.989 2.031 1.00 30.45 C ATOM 1442 OE1 GLN A 95 10.907 40.683 2.546 1.00 1.44 O ATOM 1443 NE2 GLN A 95 8.759 40.208 2.098 1.00 13.34 N ATOM 0 H GLN A 95 12.268 43.518 -0.988 1.00 64.54 H new ATOM 0 HA GLN A 95 9.810 44.488 0.044 1.00 62.13 H new ATOM 0 HB2 GLN A 95 11.665 42.363 0.509 1.00 51.14 H new ATOM 0 HB3 GLN A 95 11.458 43.197 2.036 1.00 51.14 H new ATOM 0 HG2 GLN A 95 8.992 42.946 1.832 1.00 4.52 H new ATOM 0 HG3 GLN A 95 9.207 42.099 0.313 1.00 4.52 H new ATOM 0 HE21 GLN A 95 7.887 40.500 1.657 1.00 13.34 H new ATOM 0 HE22 GLN A 95 8.808 39.316 2.590 1.00 13.34 H new ATOM 1452 N GLN A 96 12.561 45.837 1.181 1.00 34.24 N ATOM 1453 CA GLN A 96 13.092 46.920 2.000 1.00 53.42 C ATOM 1454 C GLN A 96 13.295 48.182 1.168 1.00 54.25 C ATOM 1455 O GLN A 96 13.404 49.283 1.708 1.00 43.24 O ATOM 1456 CB GLN A 96 14.415 46.501 2.643 1.00 71.15 C ATOM 1457 CG GLN A 96 15.610 46.625 1.711 1.00 0.33 C ATOM 1458 CD GLN A 96 16.488 47.815 2.045 1.00 42.24 C ATOM 1459 OE1 GLN A 96 16.630 48.740 1.245 1.00 52.54 O ATOM 1460 NE2 GLN A 96 17.084 47.798 3.231 1.00 30.43 N ATOM 0 H GLN A 96 13.252 45.381 0.585 1.00 34.24 H new ATOM 0 HA GLN A 96 12.367 47.136 2.785 1.00 53.42 H new ATOM 0 HB2 GLN A 96 14.590 47.113 3.528 1.00 71.15 H new ATOM 0 HB3 GLN A 96 14.334 45.468 2.981 1.00 71.15 H new ATOM 0 HG2 GLN A 96 16.204 45.713 1.765 1.00 0.33 H new ATOM 0 HG3 GLN A 96 15.257 46.715 0.684 1.00 0.33 H new ATOM 0 HE21 GLN A 96 16.939 47.011 3.864 1.00 30.43 H new ATOM 0 HE22 GLN A 96 17.687 48.572 3.510 1.00 30.43 H new ATOM 1469 N TYR A 97 13.344 48.015 -0.149 1.00 72.53 N ATOM 1470 CA TYR A 97 13.536 49.140 -1.056 1.00 64.23 C ATOM 1471 C TYR A 97 12.199 49.651 -1.582 1.00 75.33 C ATOM 1472 O TYR A 97 12.122 50.217 -2.673 1.00 30.31 O ATOM 1473 CB TYR A 97 14.434 48.732 -2.225 1.00 64.34 C ATOM 1474 CG TYR A 97 15.911 48.864 -1.929 1.00 62.42 C ATOM 1475 CD1 TYR A 97 16.554 50.091 -2.032 1.00 52.11 C ATOM 1476 CD2 TYR A 97 16.664 47.760 -1.546 1.00 11.45 C ATOM 1477 CE1 TYR A 97 17.903 50.216 -1.763 1.00 70.13 C ATOM 1478 CE2 TYR A 97 18.013 47.876 -1.273 1.00 44.12 C ATOM 1479 CZ TYR A 97 18.628 49.106 -1.384 1.00 64.30 C ATOM 1480 OH TYR A 97 19.972 49.226 -1.114 1.00 3.20 O ATOM 0 H TYR A 97 13.253 47.111 -0.612 1.00 72.53 H new ATOM 0 HA TYR A 97 14.018 49.944 -0.499 1.00 64.23 H new ATOM 0 HB2 TYR A 97 14.217 47.699 -2.495 1.00 64.34 H new ATOM 0 HB3 TYR A 97 14.189 49.346 -3.092 1.00 64.34 H new ATOM 0 HD1 TYR A 97 15.989 50.963 -2.328 1.00 52.11 H new ATOM 0 HD2 TYR A 97 16.186 46.795 -1.460 1.00 11.45 H new ATOM 0 HE1 TYR A 97 18.387 51.178 -1.849 1.00 70.13 H new ATOM 0 HE2 TYR A 97 18.583 47.009 -0.974 1.00 44.12 H new ATOM 0 HH TYR A 97 20.334 48.351 -0.860 1.00 3.20 H new ATOM 1490 N VAL A 98 11.145 49.447 -0.798 1.00 11.02 N ATOM 1491 CA VAL A 98 9.809 49.888 -1.182 1.00 22.22 C ATOM 1492 C VAL A 98 9.396 51.132 -0.403 1.00 31.51 C ATOM 1493 O VAL A 98 8.693 51.997 -0.924 1.00 3.33 O ATOM 1494 CB VAL A 98 8.765 48.780 -0.951 1.00 35.14 C ATOM 1495 CG1 VAL A 98 8.838 48.266 0.479 1.00 10.42 C ATOM 1496 CG2 VAL A 98 7.368 49.290 -1.272 1.00 13.04 C ATOM 0 H VAL A 98 11.190 48.979 0.107 1.00 11.02 H new ATOM 0 HA VAL A 98 9.847 50.125 -2.245 1.00 22.22 H new ATOM 0 HB VAL A 98 8.988 47.950 -1.621 1.00 35.14 H new ATOM 0 HG11 VAL A 98 8.093 47.484 0.623 1.00 10.42 H new ATOM 0 HG12 VAL A 98 9.832 47.860 0.669 1.00 10.42 H new ATOM 0 HG13 VAL A 98 8.642 49.085 1.171 1.00 10.42 H new ATOM 0 HG21 VAL A 98 6.642 48.494 -1.103 1.00 13.04 H new ATOM 0 HG22 VAL A 98 7.133 50.138 -0.628 1.00 13.04 H new ATOM 0 HG23 VAL A 98 7.326 49.604 -2.315 1.00 13.04 H new ATOM 1506 N MET A 99 9.837 51.213 0.848 1.00 3.40 N ATOM 1507 CA MET A 99 9.514 52.353 1.699 1.00 63.12 C ATOM 1508 C MET A 99 10.339 53.575 1.307 1.00 30.11 C ATOM 1509 O MET A 99 10.013 54.703 1.679 1.00 30.33 O ATOM 1510 CB MET A 99 9.762 52.006 3.168 1.00 34.12 C ATOM 1511 CG MET A 99 11.234 51.979 3.547 1.00 74.23 C ATOM 1512 SD MET A 99 11.726 53.412 4.524 1.00 32.34 S ATOM 1513 CE MET A 99 13.510 53.277 4.448 1.00 22.21 C ATOM 0 H MET A 99 10.418 50.504 1.295 1.00 3.40 H new ATOM 0 HA MET A 99 8.459 52.590 1.562 1.00 63.12 H new ATOM 0 HB2 MET A 99 9.247 52.733 3.796 1.00 34.12 H new ATOM 0 HB3 MET A 99 9.322 51.032 3.382 1.00 34.12 H new ATOM 0 HG2 MET A 99 11.443 51.070 4.111 1.00 74.23 H new ATOM 0 HG3 MET A 99 11.838 51.937 2.641 1.00 74.23 H new ATOM 0 HE1 MET A 99 13.909 53.155 5.455 1.00 22.21 H new ATOM 0 HE2 MET A 99 13.784 52.413 3.842 1.00 22.21 H new ATOM 0 HE3 MET A 99 13.924 54.180 4.000 1.00 22.21 H new ATOM 1523 N THR A 100 11.410 53.344 0.554 1.00 52.13 N ATOM 1524 CA THR A 100 12.282 54.426 0.113 1.00 32.40 C ATOM 1525 C THR A 100 11.760 55.066 -1.168 1.00 74.52 C ATOM 1526 O THR A 100 11.172 56.147 -1.138 1.00 71.35 O ATOM 1527 CB THR A 100 13.719 53.926 -0.125 1.00 5.51 C ATOM 1528 OG1 THR A 100 13.699 52.562 -0.560 1.00 11.34 O ATOM 1529 CG2 THR A 100 14.551 54.048 1.143 1.00 21.51 C ATOM 0 H THR A 100 11.694 52.417 0.237 1.00 52.13 H new ATOM 0 HA THR A 100 12.291 55.170 0.910 1.00 32.40 H new ATOM 0 HB THR A 100 14.172 54.546 -0.899 1.00 5.51 H new ATOM 0 HG1 THR A 100 14.617 52.253 -0.710 1.00 11.34 H new ATOM 0 HG21 THR A 100 15.562 53.689 0.951 1.00 21.51 H new ATOM 0 HG22 THR A 100 14.590 55.092 1.454 1.00 21.51 H new ATOM 0 HG23 THR A 100 14.098 53.451 1.934 1.00 21.51 H new ATOM 1537 N SER A 101 11.977 54.391 -2.293 1.00 21.35 N ATOM 1538 CA SER A 101 11.531 54.896 -3.586 1.00 33.44 C ATOM 1539 C SER A 101 11.964 53.962 -4.712 1.00 54.32 C ATOM 1540 O SER A 101 11.263 53.813 -5.714 1.00 62.04 O ATOM 1541 CB SER A 101 12.088 56.300 -3.829 1.00 31.43 C ATOM 1542 OG SER A 101 11.076 57.281 -3.689 1.00 13.34 O ATOM 0 H SER A 101 12.459 53.493 -2.335 1.00 21.35 H new ATOM 0 HA SER A 101 10.442 54.943 -3.575 1.00 33.44 H new ATOM 0 HB2 SER A 101 12.894 56.502 -3.124 1.00 31.43 H new ATOM 0 HB3 SER A 101 12.517 56.356 -4.829 1.00 31.43 H new ATOM 0 HG SER A 101 10.728 57.264 -2.773 1.00 13.34 H new ATOM 1548 N LEU A 102 13.122 53.336 -4.540 1.00 45.14 N ATOM 1549 CA LEU A 102 13.651 52.416 -5.542 1.00 12.21 C ATOM 1550 C LEU A 102 12.906 51.085 -5.505 1.00 44.44 C ATOM 1551 O LEU A 102 13.472 50.058 -5.134 1.00 21.42 O ATOM 1552 CB LEU A 102 15.145 52.184 -5.312 1.00 2.22 C ATOM 1553 CG LEU A 102 15.968 53.420 -4.946 1.00 12.12 C ATOM 1554 CD1 LEU A 102 17.395 53.027 -4.596 1.00 13.21 C ATOM 1555 CD2 LEU A 102 15.954 54.427 -6.087 1.00 25.31 C ATOM 0 H LEU A 102 13.713 53.448 -3.716 1.00 45.14 H new ATOM 0 HA LEU A 102 13.507 52.865 -6.525 1.00 12.21 H new ATOM 0 HB2 LEU A 102 15.260 51.447 -4.517 1.00 2.22 H new ATOM 0 HB3 LEU A 102 15.568 51.745 -6.216 1.00 2.22 H new ATOM 0 HG LEU A 102 15.517 53.887 -4.070 1.00 12.12 H new ATOM 0 HD11 LEU A 102 17.965 53.919 -4.338 1.00 13.21 H new ATOM 0 HD12 LEU A 102 17.386 52.344 -3.747 1.00 13.21 H new ATOM 0 HD13 LEU A 102 17.857 52.535 -5.452 1.00 13.21 H new ATOM 0 HD21 LEU A 102 16.545 55.300 -5.809 1.00 25.31 H new ATOM 0 HD22 LEU A 102 16.380 53.970 -6.981 1.00 25.31 H new ATOM 0 HD23 LEU A 102 14.928 54.733 -6.290 1.00 25.31 H new ATOM 1567 N GLN A 103 11.636 51.113 -5.896 1.00 22.24 N ATOM 1568 CA GLN A 103 10.815 49.908 -5.909 1.00 24.23 C ATOM 1569 C GLN A 103 10.884 49.217 -7.267 1.00 13.32 C ATOM 1570 O GLN A 103 11.399 48.106 -7.383 1.00 25.04 O ATOM 1571 CB GLN A 103 9.364 50.250 -5.570 1.00 14.40 C ATOM 1572 CG GLN A 103 8.684 49.215 -4.688 1.00 51.32 C ATOM 1573 CD GLN A 103 7.439 48.632 -5.327 1.00 21.51 C ATOM 1574 OE1 GLN A 103 7.324 48.576 -6.552 1.00 35.25 O ATOM 1575 NE2 GLN A 103 6.499 48.192 -4.499 1.00 11.05 N ATOM 0 H GLN A 103 11.154 51.956 -6.208 1.00 22.24 H new ATOM 0 HA GLN A 103 11.205 49.225 -5.154 1.00 24.23 H new ATOM 0 HB2 GLN A 103 9.335 51.217 -5.069 1.00 14.40 H new ATOM 0 HB3 GLN A 103 8.798 50.354 -6.496 1.00 14.40 H new ATOM 0 HG2 GLN A 103 9.387 48.411 -4.470 1.00 51.32 H new ATOM 0 HG3 GLN A 103 8.418 49.673 -3.735 1.00 51.32 H new ATOM 0 HE21 GLN A 103 6.636 48.258 -3.490 1.00 11.05 H new ATOM 0 HE22 GLN A 103 5.640 47.788 -4.871 1.00 11.05 H new ATOM 1584 N GLN A 104 10.360 49.883 -8.291 1.00 11.32 N ATOM 1585 CA GLN A 104 10.361 49.332 -9.641 1.00 10.23 C ATOM 1586 C GLN A 104 11.773 48.945 -10.070 1.00 15.34 C ATOM 1587 O GLN A 104 11.958 48.036 -10.878 1.00 31.04 O ATOM 1588 CB GLN A 104 9.774 50.343 -10.628 1.00 5.25 C ATOM 1589 CG GLN A 104 10.383 51.731 -10.510 1.00 42.24 C ATOM 1590 CD GLN A 104 10.758 52.320 -11.856 1.00 61.43 C ATOM 1591 OE1 GLN A 104 9.977 53.050 -12.467 1.00 3.45 O ATOM 1592 NE2 GLN A 104 11.959 52.004 -12.327 1.00 31.41 N ATOM 0 H GLN A 104 9.930 50.804 -8.212 1.00 11.32 H new ATOM 0 HA GLN A 104 9.742 48.435 -9.640 1.00 10.23 H new ATOM 0 HB2 GLN A 104 9.922 49.975 -11.643 1.00 5.25 H new ATOM 0 HB3 GLN A 104 8.698 50.412 -10.468 1.00 5.25 H new ATOM 0 HG2 GLN A 104 9.675 52.393 -10.012 1.00 42.24 H new ATOM 0 HG3 GLN A 104 11.271 51.682 -9.879 1.00 42.24 H new ATOM 0 HE21 GLN A 104 12.575 51.395 -11.787 1.00 31.41 H new ATOM 0 HE22 GLN A 104 12.266 52.370 -13.228 1.00 31.41 H new ATOM 1601 N GLU A 105 12.764 49.642 -9.523 1.00 52.42 N ATOM 1602 CA GLU A 105 14.159 49.372 -9.851 1.00 74.41 C ATOM 1603 C GLU A 105 14.481 47.891 -9.675 1.00 22.52 C ATOM 1604 O GLU A 105 14.646 47.159 -10.652 1.00 12.34 O ATOM 1605 CB GLU A 105 15.085 50.215 -8.973 1.00 22.22 C ATOM 1606 CG GLU A 105 15.265 51.640 -9.469 1.00 75.54 C ATOM 1607 CD GLU A 105 16.582 52.249 -9.031 1.00 30.23 C ATOM 1608 OE1 GLU A 105 17.559 51.490 -8.858 1.00 51.54 O ATOM 1609 OE2 GLU A 105 16.636 53.485 -8.860 1.00 35.11 O ATOM 0 H GLU A 105 12.627 50.397 -8.851 1.00 52.42 H new ATOM 0 HA GLU A 105 14.319 49.640 -10.895 1.00 74.41 H new ATOM 0 HB2 GLU A 105 14.686 50.240 -7.959 1.00 22.22 H new ATOM 0 HB3 GLU A 105 16.061 49.732 -8.920 1.00 22.22 H new ATOM 0 HG2 GLU A 105 15.208 51.652 -10.557 1.00 75.54 H new ATOM 0 HG3 GLU A 105 14.444 52.255 -9.100 1.00 75.54 H new ATOM 1616 N TYR A 106 14.571 47.456 -8.423 1.00 33.22 N ATOM 1617 CA TYR A 106 14.877 46.063 -8.117 1.00 54.32 C ATOM 1618 C TYR A 106 13.923 45.123 -8.849 1.00 5.04 C ATOM 1619 O TYR A 106 14.277 43.989 -9.172 1.00 61.11 O ATOM 1620 CB TYR A 106 14.794 45.820 -6.609 1.00 53.14 C ATOM 1621 CG TYR A 106 16.027 46.264 -5.856 1.00 11.13 C ATOM 1622 CD1 TYR A 106 16.140 47.562 -5.373 1.00 0.21 C ATOM 1623 CD2 TYR A 106 17.079 45.386 -5.627 1.00 43.31 C ATOM 1624 CE1 TYR A 106 17.265 47.973 -4.684 1.00 61.33 C ATOM 1625 CE2 TYR A 106 18.207 45.788 -4.938 1.00 64.33 C ATOM 1626 CZ TYR A 106 18.296 47.082 -4.469 1.00 72.31 C ATOM 1627 OH TYR A 106 19.419 47.486 -3.784 1.00 34.22 O ATOM 0 H TYR A 106 14.436 48.048 -7.603 1.00 33.22 H new ATOM 0 HA TYR A 106 15.892 45.857 -8.456 1.00 54.32 H new ATOM 0 HB2 TYR A 106 13.926 46.347 -6.212 1.00 53.14 H new ATOM 0 HB3 TYR A 106 14.632 44.757 -6.429 1.00 53.14 H new ATOM 0 HD1 TYR A 106 15.334 48.262 -5.539 1.00 0.21 H new ATOM 0 HD2 TYR A 106 17.014 44.372 -5.994 1.00 43.31 H new ATOM 0 HE1 TYR A 106 17.337 48.986 -4.316 1.00 61.33 H new ATOM 0 HE2 TYR A 106 19.015 45.092 -4.767 1.00 64.33 H new ATOM 0 HH TYR A 106 19.157 48.067 -3.040 1.00 34.22 H new ATOM 1637 N LYS A 107 12.712 45.603 -9.107 1.00 52.10 N ATOM 1638 CA LYS A 107 11.706 44.809 -9.802 1.00 33.31 C ATOM 1639 C LYS A 107 12.108 44.571 -11.254 1.00 20.42 C ATOM 1640 O LYS A 107 11.900 43.485 -11.797 1.00 13.42 O ATOM 1641 CB LYS A 107 10.346 45.509 -9.747 1.00 30.35 C ATOM 1642 CG LYS A 107 9.480 45.063 -8.581 1.00 54.41 C ATOM 1643 CD LYS A 107 8.876 46.251 -7.849 1.00 64.42 C ATOM 1644 CE LYS A 107 8.910 46.052 -6.342 1.00 30.54 C ATOM 1645 NZ LYS A 107 7.575 45.669 -5.803 1.00 4.12 N ATOM 0 H LYS A 107 12.403 46.539 -8.845 1.00 52.10 H new ATOM 0 HA LYS A 107 11.632 43.844 -9.301 1.00 33.31 H new ATOM 0 HB2 LYS A 107 10.503 46.586 -9.681 1.00 30.35 H new ATOM 0 HB3 LYS A 107 9.812 45.321 -10.678 1.00 30.35 H new ATOM 0 HG2 LYS A 107 8.683 44.415 -8.945 1.00 54.41 H new ATOM 0 HG3 LYS A 107 10.078 44.473 -7.887 1.00 54.41 H new ATOM 0 HD2 LYS A 107 9.423 47.157 -8.110 1.00 64.42 H new ATOM 0 HD3 LYS A 107 7.846 46.395 -8.175 1.00 64.42 H new ATOM 0 HE2 LYS A 107 9.637 45.279 -6.094 1.00 30.54 H new ATOM 0 HE3 LYS A 107 9.246 46.971 -5.862 1.00 30.54 H new ATOM 0 HZ1 LYS A 107 7.530 45.900 -4.790 1.00 4.12 H new ATOM 0 HZ2 LYS A 107 6.833 46.192 -6.310 1.00 4.12 H new ATOM 0 HZ3 LYS A 107 7.429 44.647 -5.932 1.00 4.12 H new ATOM 1659 N LYS A 108 12.687 45.591 -11.878 1.00 12.14 N ATOM 1660 CA LYS A 108 13.121 45.493 -13.266 1.00 24.21 C ATOM 1661 C LYS A 108 14.204 44.430 -13.423 1.00 62.01 C ATOM 1662 O LYS A 108 14.005 43.425 -14.106 1.00 2.54 O ATOM 1663 CB LYS A 108 13.645 46.845 -13.755 1.00 54.20 C ATOM 1664 CG LYS A 108 12.562 47.748 -14.319 1.00 55.24 C ATOM 1665 CD LYS A 108 12.229 47.388 -15.758 1.00 14.04 C ATOM 1666 CE LYS A 108 11.730 48.597 -16.534 1.00 2.30 C ATOM 1667 NZ LYS A 108 10.598 48.249 -17.436 1.00 14.11 N ATOM 0 H LYS A 108 12.867 46.496 -11.444 1.00 12.14 H new ATOM 0 HA LYS A 108 12.261 45.204 -13.870 1.00 24.21 H new ATOM 0 HB2 LYS A 108 14.138 47.355 -12.927 1.00 54.20 H new ATOM 0 HB3 LYS A 108 14.402 46.677 -14.521 1.00 54.20 H new ATOM 0 HG2 LYS A 108 11.664 47.668 -13.706 1.00 55.24 H new ATOM 0 HG3 LYS A 108 12.890 48.786 -14.269 1.00 55.24 H new ATOM 0 HD2 LYS A 108 13.114 46.981 -16.246 1.00 14.04 H new ATOM 0 HD3 LYS A 108 11.469 46.606 -15.772 1.00 14.04 H new ATOM 0 HE2 LYS A 108 11.413 49.371 -15.835 1.00 2.30 H new ATOM 0 HE3 LYS A 108 12.548 49.014 -17.122 1.00 2.30 H new ATOM 0 HZ1 LYS A 108 10.287 49.100 -17.947 1.00 14.11 H new ATOM 0 HZ2 LYS A 108 10.907 47.529 -18.119 1.00 14.11 H new ATOM 0 HZ3 LYS A 108 9.808 47.875 -16.873 1.00 14.11 H new ATOM 1681 N GLN A 109 15.348 44.658 -12.786 1.00 42.42 N ATOM 1682 CA GLN A 109 16.461 43.719 -12.856 1.00 4.23 C ATOM 1683 C GLN A 109 16.022 42.322 -12.432 1.00 32.33 C ATOM 1684 O GLN A 109 16.471 41.323 -12.993 1.00 33.33 O ATOM 1685 CB GLN A 109 17.614 44.195 -11.969 1.00 53.14 C ATOM 1686 CG GLN A 109 17.209 44.442 -10.525 1.00 54.02 C ATOM 1687 CD GLN A 109 17.886 45.661 -9.929 1.00 74.53 C ATOM 1688 OE1 GLN A 109 18.894 45.546 -9.232 1.00 61.10 O ATOM 1689 NE2 GLN A 109 17.334 46.837 -10.201 1.00 54.24 N ATOM 0 H GLN A 109 15.528 45.484 -12.216 1.00 42.42 H new ATOM 0 HA GLN A 109 16.802 43.675 -13.890 1.00 4.23 H new ATOM 0 HB2 GLN A 109 18.410 43.451 -11.992 1.00 53.14 H new ATOM 0 HB3 GLN A 109 18.025 45.115 -12.385 1.00 53.14 H new ATOM 0 HG2 GLN A 109 16.128 44.569 -10.472 1.00 54.02 H new ATOM 0 HG3 GLN A 109 17.457 43.565 -9.927 1.00 54.02 H new ATOM 0 HE21 GLN A 109 16.498 46.886 -10.784 1.00 54.24 H new ATOM 0 HE22 GLN A 109 17.746 47.692 -9.827 1.00 54.24 H new ATOM 1698 N MET A 110 15.142 42.260 -11.438 1.00 33.32 N ATOM 1699 CA MET A 110 14.641 40.984 -10.939 1.00 70.15 C ATOM 1700 C MET A 110 13.888 40.231 -12.032 1.00 1.31 C ATOM 1701 O MET A 110 14.139 39.049 -12.272 1.00 2.52 O ATOM 1702 CB MET A 110 13.726 41.207 -9.734 1.00 32.31 C ATOM 1703 CG MET A 110 12.914 39.980 -9.353 1.00 35.34 C ATOM 1704 SD MET A 110 12.585 39.887 -7.582 1.00 53.12 S ATOM 1705 CE MET A 110 10.955 39.144 -7.579 1.00 11.10 C ATOM 0 H MET A 110 14.761 43.078 -10.962 1.00 33.32 H new ATOM 0 HA MET A 110 15.496 40.382 -10.630 1.00 70.15 H new ATOM 0 HB2 MET A 110 14.331 41.512 -8.880 1.00 32.31 H new ATOM 0 HB3 MET A 110 13.045 42.030 -9.952 1.00 32.31 H new ATOM 0 HG2 MET A 110 11.968 39.993 -9.894 1.00 35.34 H new ATOM 0 HG3 MET A 110 13.449 39.083 -9.667 1.00 35.34 H new ATOM 0 HE1 MET A 110 10.331 39.639 -6.835 1.00 11.10 H new ATOM 0 HE2 MET A 110 10.503 39.255 -8.565 1.00 11.10 H new ATOM 0 HE3 MET A 110 11.038 38.085 -7.335 1.00 11.10 H new ATOM 1715 N LEU A 111 12.964 40.922 -12.691 1.00 4.01 N ATOM 1716 CA LEU A 111 12.174 40.318 -13.758 1.00 42.44 C ATOM 1717 C LEU A 111 13.075 39.649 -14.791 1.00 24.52 C ATOM 1718 O LEU A 111 12.793 38.543 -15.254 1.00 22.23 O ATOM 1719 CB LEU A 111 11.303 41.377 -14.436 1.00 13.31 C ATOM 1720 CG LEU A 111 9.792 41.202 -14.281 1.00 54.40 C ATOM 1721 CD1 LEU A 111 9.048 42.307 -15.015 1.00 42.43 C ATOM 1722 CD2 LEU A 111 9.358 39.836 -14.790 1.00 70.45 C ATOM 0 H LEU A 111 12.744 41.900 -12.505 1.00 4.01 H new ATOM 0 HA LEU A 111 11.532 39.557 -13.315 1.00 42.44 H new ATOM 0 HB2 LEU A 111 11.578 42.354 -14.039 1.00 13.31 H new ATOM 0 HB3 LEU A 111 11.540 41.387 -15.500 1.00 13.31 H new ATOM 0 HG LEU A 111 9.545 41.268 -13.221 1.00 54.40 H new ATOM 0 HD11 LEU A 111 7.974 42.166 -14.893 1.00 42.43 H new ATOM 0 HD12 LEU A 111 9.336 43.275 -14.604 1.00 42.43 H new ATOM 0 HD13 LEU A 111 9.300 42.274 -16.075 1.00 42.43 H new ATOM 0 HD21 LEU A 111 8.280 39.729 -14.672 1.00 70.45 H new ATOM 0 HD22 LEU A 111 9.619 39.741 -15.844 1.00 70.45 H new ATOM 0 HD23 LEU A 111 9.864 39.057 -14.219 1.00 70.45 H new ATOM 1734 N THR A 112 14.163 40.325 -15.147 1.00 23.32 N ATOM 1735 CA THR A 112 15.107 39.795 -16.123 1.00 52.23 C ATOM 1736 C THR A 112 15.605 38.414 -15.714 1.00 35.21 C ATOM 1737 O THR A 112 15.381 37.429 -16.418 1.00 14.44 O ATOM 1738 CB THR A 112 16.316 40.732 -16.301 1.00 44.31 C ATOM 1739 OG1 THR A 112 15.980 42.055 -15.867 1.00 73.40 O ATOM 1740 CG2 THR A 112 16.764 40.769 -17.755 1.00 33.44 C ATOM 0 H THR A 112 14.412 41.241 -14.774 1.00 23.32 H new ATOM 0 HA THR A 112 14.572 39.719 -17.070 1.00 52.23 H new ATOM 0 HB THR A 112 17.136 40.348 -15.694 1.00 44.31 H new ATOM 0 HG1 THR A 112 16.755 42.644 -15.982 1.00 73.40 H new ATOM 0 HG21 THR A 112 17.619 41.437 -17.855 1.00 33.44 H new ATOM 0 HG22 THR A 112 17.048 39.766 -18.074 1.00 33.44 H new ATOM 0 HG23 THR A 112 15.946 41.130 -18.379 1.00 33.44 H new ATOM 1748 N ALA A 113 16.280 38.348 -14.571 1.00 61.13 N ATOM 1749 CA ALA A 113 16.807 37.086 -14.067 1.00 61.11 C ATOM 1750 C ALA A 113 15.690 36.068 -13.860 1.00 4.30 C ATOM 1751 O ALA A 113 15.755 34.950 -14.369 1.00 31.32 O ATOM 1752 CB ALA A 113 17.565 37.312 -12.768 1.00 3.15 C ATOM 0 H ALA A 113 16.475 39.154 -13.977 1.00 61.13 H new ATOM 0 HA ALA A 113 17.495 36.685 -14.811 1.00 61.11 H new ATOM 0 HB1 ALA A 113 17.953 36.361 -12.403 1.00 3.15 H new ATOM 0 HB2 ALA A 113 18.393 37.998 -12.945 1.00 3.15 H new ATOM 0 HB3 ALA A 113 16.893 37.739 -12.024 1.00 3.15 H new ATOM 1758 N ALA A 114 14.668 36.464 -13.109 1.00 75.22 N ATOM 1759 CA ALA A 114 13.536 35.586 -12.836 1.00 41.31 C ATOM 1760 C ALA A 114 12.966 35.008 -14.127 1.00 15.42 C ATOM 1761 O ALA A 114 12.503 33.868 -14.157 1.00 34.42 O ATOM 1762 CB ALA A 114 12.458 36.338 -12.070 1.00 52.32 C ATOM 0 H ALA A 114 14.600 37.386 -12.679 1.00 75.22 H new ATOM 0 HA ALA A 114 13.890 34.757 -12.223 1.00 41.31 H new ATOM 0 HB1 ALA A 114 11.619 35.671 -11.873 1.00 52.32 H new ATOM 0 HB2 ALA A 114 12.866 36.697 -11.125 1.00 52.32 H new ATOM 0 HB3 ALA A 114 12.115 37.186 -12.662 1.00 52.32 H new ATOM 1768 N HIS A 115 13.001 35.803 -15.192 1.00 31.11 N ATOM 1769 CA HIS A 115 12.487 35.370 -16.486 1.00 72.43 C ATOM 1770 C HIS A 115 13.287 34.185 -17.020 1.00 0.31 C ATOM 1771 O HIS A 115 12.721 33.156 -17.386 1.00 31.44 O ATOM 1772 CB HIS A 115 12.531 36.523 -17.489 1.00 3.33 C ATOM 1773 CG HIS A 115 11.902 36.196 -18.807 1.00 74.45 C ATOM 1774 ND1 HIS A 115 12.633 35.955 -19.952 1.00 13.44 N ATOM 1775 CD2 HIS A 115 10.601 36.067 -19.160 1.00 0.20 C ATOM 1776 CE1 HIS A 115 11.809 35.695 -20.951 1.00 42.12 C ATOM 1777 NE2 HIS A 115 10.570 35.756 -20.497 1.00 44.21 N ATOM 0 H HIS A 115 13.380 36.750 -15.184 1.00 31.11 H new ATOM 0 HA HIS A 115 11.452 35.056 -16.351 1.00 72.43 H new ATOM 0 HB2 HIS A 115 12.025 37.387 -17.059 1.00 3.33 H new ATOM 0 HB3 HIS A 115 13.569 36.811 -17.653 1.00 3.33 H new ATOM 0 HD2 HIS A 115 9.746 36.187 -18.510 1.00 0.20 H new ATOM 0 HE1 HIS A 115 12.099 35.471 -21.967 1.00 42.12 H new ATOM 0 HE2 HIS A 115 9.727 35.598 -21.050 1.00 44.21 H new ATOM 1785 N ALA A 116 14.606 34.340 -17.062 1.00 64.31 N ATOM 1786 CA ALA A 116 15.484 33.283 -17.550 1.00 31.13 C ATOM 1787 C ALA A 116 15.349 32.023 -16.702 1.00 25.33 C ATOM 1788 O ALA A 116 15.325 30.909 -17.226 1.00 61.44 O ATOM 1789 CB ALA A 116 16.928 33.761 -17.563 1.00 64.22 C ATOM 0 H ALA A 116 15.090 35.187 -16.764 1.00 64.31 H new ATOM 0 HA ALA A 116 15.185 33.037 -18.569 1.00 31.13 H new ATOM 0 HB1 ALA A 116 17.572 32.962 -17.929 1.00 64.22 H new ATOM 0 HB2 ALA A 116 17.018 34.629 -18.217 1.00 64.22 H new ATOM 0 HB3 ALA A 116 17.230 34.036 -16.552 1.00 64.22 H new ATOM 1795 N LEU A 117 15.263 32.205 -15.389 1.00 2.43 N ATOM 1796 CA LEU A 117 15.132 31.082 -14.467 1.00 52.21 C ATOM 1797 C LEU A 117 13.921 30.226 -14.822 1.00 34.43 C ATOM 1798 O LEU A 117 14.027 29.007 -14.954 1.00 22.25 O ATOM 1799 CB LEU A 117 15.009 31.589 -13.029 1.00 30.11 C ATOM 1800 CG LEU A 117 15.362 30.585 -11.931 1.00 71.31 C ATOM 1801 CD1 LEU A 117 14.322 29.477 -11.867 1.00 31.04 C ATOM 1802 CD2 LEU A 117 16.749 30.004 -12.165 1.00 73.24 C ATOM 0 H LEU A 117 15.282 33.120 -14.939 1.00 2.43 H new ATOM 0 HA LEU A 117 16.027 30.466 -14.553 1.00 52.21 H new ATOM 0 HB2 LEU A 117 15.652 32.462 -12.916 1.00 30.11 H new ATOM 0 HB3 LEU A 117 13.985 31.926 -12.870 1.00 30.11 H new ATOM 0 HG LEU A 117 15.366 31.108 -10.975 1.00 71.31 H new ATOM 0 HD11 LEU A 117 14.590 28.772 -11.080 1.00 31.04 H new ATOM 0 HD12 LEU A 117 13.344 29.908 -11.651 1.00 31.04 H new ATOM 0 HD13 LEU A 117 14.286 28.956 -12.824 1.00 31.04 H new ATOM 0 HD21 LEU A 117 16.983 29.292 -11.374 1.00 73.24 H new ATOM 0 HD22 LEU A 117 16.773 29.496 -13.129 1.00 73.24 H new ATOM 0 HD23 LEU A 117 17.486 30.807 -12.160 1.00 73.24 H new ATOM 1814 N ALA A 118 12.770 30.872 -14.977 1.00 10.32 N ATOM 1815 CA ALA A 118 11.540 30.170 -15.321 1.00 14.54 C ATOM 1816 C ALA A 118 11.744 29.264 -16.530 1.00 0.21 C ATOM 1817 O ALA A 118 11.440 28.072 -16.484 1.00 15.33 O ATOM 1818 CB ALA A 118 10.421 31.167 -15.588 1.00 71.52 C ATOM 0 H ALA A 118 12.664 31.881 -14.870 1.00 10.32 H new ATOM 0 HA ALA A 118 11.259 29.543 -14.475 1.00 14.54 H new ATOM 0 HB1 ALA A 118 9.508 30.629 -15.844 1.00 71.52 H new ATOM 0 HB2 ALA A 118 10.250 31.769 -14.696 1.00 71.52 H new ATOM 0 HB3 ALA A 118 10.703 31.817 -16.416 1.00 71.52 H new ATOM 1824 N VAL A 119 12.261 29.837 -17.612 1.00 50.13 N ATOM 1825 CA VAL A 119 12.506 29.081 -18.834 1.00 64.43 C ATOM 1826 C VAL A 119 13.345 27.839 -18.553 1.00 2.11 C ATOM 1827 O VAL A 119 13.153 26.793 -19.174 1.00 14.53 O ATOM 1828 CB VAL A 119 13.222 29.941 -19.893 1.00 33.01 C ATOM 1829 CG1 VAL A 119 13.624 29.091 -21.089 1.00 12.42 C ATOM 1830 CG2 VAL A 119 12.335 31.099 -20.325 1.00 43.21 C ATOM 0 H VAL A 119 12.518 30.822 -17.667 1.00 50.13 H new ATOM 0 HA VAL A 119 11.532 28.779 -19.220 1.00 64.43 H new ATOM 0 HB VAL A 119 14.129 30.353 -19.450 1.00 33.01 H new ATOM 0 HG11 VAL A 119 14.128 29.716 -21.826 1.00 12.42 H new ATOM 0 HG12 VAL A 119 14.298 28.299 -20.762 1.00 12.42 H new ATOM 0 HG13 VAL A 119 12.734 28.648 -21.536 1.00 12.42 H new ATOM 0 HG21 VAL A 119 12.856 31.697 -21.073 1.00 43.21 H new ATOM 0 HG22 VAL A 119 11.410 30.710 -20.751 1.00 43.21 H new ATOM 0 HG23 VAL A 119 12.103 31.721 -19.461 1.00 43.21 H new ATOM 1840 N ASP A 120 14.276 27.961 -17.613 1.00 40.41 N ATOM 1841 CA ASP A 120 15.144 26.848 -17.247 1.00 43.34 C ATOM 1842 C ASP A 120 14.323 25.637 -16.818 1.00 71.41 C ATOM 1843 O ASP A 120 14.427 24.563 -17.410 1.00 73.21 O ATOM 1844 CB ASP A 120 16.093 27.262 -16.121 1.00 53.11 C ATOM 1845 CG ASP A 120 17.514 26.791 -16.359 1.00 30.14 C ATOM 1846 OD1 ASP A 120 17.701 25.848 -17.156 1.00 14.22 O ATOM 1847 OD2 ASP A 120 18.440 27.364 -15.747 1.00 14.34 O ATOM 0 H ASP A 120 14.449 28.820 -17.091 1.00 40.41 H new ATOM 0 HA ASP A 120 15.731 26.574 -18.124 1.00 43.34 H new ATOM 0 HB2 ASP A 120 16.085 28.348 -16.024 1.00 53.11 H new ATOM 0 HB3 ASP A 120 15.732 26.854 -15.177 1.00 53.11 H new ATOM 1852 N ALA A 121 13.508 25.817 -15.784 1.00 55.12 N ATOM 1853 CA ALA A 121 12.668 24.739 -15.276 1.00 51.33 C ATOM 1854 C ALA A 121 11.871 24.088 -16.401 1.00 70.42 C ATOM 1855 O ALA A 121 11.612 22.884 -16.376 1.00 50.24 O ATOM 1856 CB ALA A 121 11.731 25.264 -14.198 1.00 71.42 C ATOM 0 H ALA A 121 13.411 26.699 -15.281 1.00 55.12 H new ATOM 0 HA ALA A 121 13.317 23.980 -14.840 1.00 51.33 H new ATOM 0 HB1 ALA A 121 11.110 24.449 -13.827 1.00 71.42 H new ATOM 0 HB2 ALA A 121 12.317 25.676 -13.376 1.00 71.42 H new ATOM 0 HB3 ALA A 121 11.095 26.044 -14.617 1.00 71.42 H new ATOM 1862 N LYS A 122 11.484 24.890 -17.387 1.00 74.41 N ATOM 1863 CA LYS A 122 10.716 24.392 -18.522 1.00 61.45 C ATOM 1864 C LYS A 122 11.605 23.594 -19.472 1.00 55.31 C ATOM 1865 O LYS A 122 11.235 22.509 -19.918 1.00 50.24 O ATOM 1866 CB LYS A 122 10.064 25.555 -19.273 1.00 71.12 C ATOM 1867 CG LYS A 122 8.794 25.167 -20.010 1.00 54.30 C ATOM 1868 CD LYS A 122 9.009 25.134 -21.514 1.00 2.22 C ATOM 1869 CE LYS A 122 8.071 24.146 -22.190 1.00 12.42 C ATOM 1870 NZ LYS A 122 7.050 24.835 -23.028 1.00 3.14 N ATOM 0 H LYS A 122 11.690 25.888 -17.423 1.00 74.41 H new ATOM 0 HA LYS A 122 9.937 23.732 -18.140 1.00 61.45 H new ATOM 0 HB2 LYS A 122 9.834 26.351 -18.564 1.00 71.12 H new ATOM 0 HB3 LYS A 122 10.779 25.961 -19.988 1.00 71.12 H new ATOM 0 HG2 LYS A 122 8.459 24.188 -19.668 1.00 54.30 H new ATOM 0 HG3 LYS A 122 8.002 25.877 -19.770 1.00 54.30 H new ATOM 0 HD2 LYS A 122 8.849 26.130 -21.927 1.00 2.22 H new ATOM 0 HD3 LYS A 122 10.042 24.862 -21.729 1.00 2.22 H new ATOM 0 HE2 LYS A 122 8.650 23.463 -22.811 1.00 12.42 H new ATOM 0 HE3 LYS A 122 7.572 23.542 -21.432 1.00 12.42 H new ATOM 0 HZ1 LYS A 122 6.430 24.128 -23.472 1.00 3.14 H new ATOM 0 HZ2 LYS A 122 6.481 25.468 -22.431 1.00 3.14 H new ATOM 0 HZ3 LYS A 122 7.525 25.391 -23.767 1.00 3.14 H new ATOM 1884 N ASN A 123 12.778 24.140 -19.775 1.00 61.33 N ATOM 1885 CA ASN A 123 13.720 23.478 -20.671 1.00 54.13 C ATOM 1886 C ASN A 123 14.150 22.127 -20.107 1.00 53.34 C ATOM 1887 O ASN A 123 14.650 21.269 -20.836 1.00 20.14 O ATOM 1888 CB ASN A 123 14.947 24.363 -20.899 1.00 21.35 C ATOM 1889 CG ASN A 123 15.435 24.318 -22.334 1.00 34.42 C ATOM 1890 OD1 ASN A 123 14.650 24.453 -23.272 1.00 55.23 O ATOM 1891 ND2 ASN A 123 16.737 24.126 -22.510 1.00 52.04 N ATOM 0 H ASN A 123 13.099 25.038 -19.414 1.00 61.33 H new ATOM 0 HA ASN A 123 13.219 23.310 -21.625 1.00 54.13 H new ATOM 0 HB2 ASN A 123 14.704 25.392 -20.633 1.00 21.35 H new ATOM 0 HB3 ASN A 123 15.750 24.044 -20.235 1.00 21.35 H new ATOM 0 HD21 ASN A 123 17.124 24.085 -23.453 1.00 52.04 H new ATOM 0 HD22 ASN A 123 17.351 24.019 -21.702 1.00 52.04 H new ATOM 1898 N LEU A 124 13.951 21.945 -18.807 1.00 1.34 N ATOM 1899 CA LEU A 124 14.317 20.698 -18.144 1.00 5.42 C ATOM 1900 C LEU A 124 13.749 19.497 -18.892 1.00 24.30 C ATOM 1901 O LEU A 124 14.494 18.695 -19.458 1.00 42.52 O ATOM 1902 CB LEU A 124 13.814 20.699 -16.699 1.00 63.23 C ATOM 1903 CG LEU A 124 14.487 21.695 -15.754 1.00 62.13 C ATOM 1904 CD1 LEU A 124 13.958 21.529 -14.338 1.00 71.34 C ATOM 1905 CD2 LEU A 124 15.999 21.521 -15.784 1.00 53.15 C ATOM 0 H LEU A 124 13.538 22.645 -18.190 1.00 1.34 H new ATOM 0 HA LEU A 124 15.404 20.621 -18.143 1.00 5.42 H new ATOM 0 HB2 LEU A 124 12.744 20.904 -16.708 1.00 63.23 H new ATOM 0 HB3 LEU A 124 13.943 19.697 -16.290 1.00 63.23 H new ATOM 0 HG LEU A 124 14.250 22.704 -16.092 1.00 62.13 H new ATOM 0 HD11 LEU A 124 14.449 22.246 -13.680 1.00 71.34 H new ATOM 0 HD12 LEU A 124 12.882 21.705 -14.329 1.00 71.34 H new ATOM 0 HD13 LEU A 124 14.163 20.517 -13.989 1.00 71.34 H new ATOM 0 HD21 LEU A 124 16.461 22.238 -15.106 1.00 53.15 H new ATOM 0 HD22 LEU A 124 16.255 20.509 -15.472 1.00 53.15 H new ATOM 0 HD23 LEU A 124 16.365 21.692 -16.796 1.00 53.15 H new ATOM 1917 N LEU A 125 12.426 19.378 -18.892 1.00 43.22 N ATOM 1918 CA LEU A 125 11.757 18.275 -19.573 1.00 41.22 C ATOM 1919 C LEU A 125 11.827 18.447 -21.087 1.00 40.22 C ATOM 1920 O LEU A 125 11.869 17.468 -21.832 1.00 33.21 O ATOM 1921 CB LEU A 125 10.297 18.184 -19.126 1.00 1.23 C ATOM 1922 CG LEU A 125 9.833 16.817 -18.623 1.00 60.55 C ATOM 1923 CD1 LEU A 125 9.375 16.907 -17.176 1.00 73.32 C ATOM 1924 CD2 LEU A 125 8.717 16.275 -19.505 1.00 43.04 C ATOM 0 H LEU A 125 11.795 20.032 -18.428 1.00 43.22 H new ATOM 0 HA LEU A 125 12.271 17.351 -19.307 1.00 41.22 H new ATOM 0 HB2 LEU A 125 10.134 18.915 -18.334 1.00 1.23 H new ATOM 0 HB3 LEU A 125 9.663 18.475 -19.963 1.00 1.23 H new ATOM 0 HG LEU A 125 10.676 16.128 -18.673 1.00 60.55 H new ATOM 0 HD11 LEU A 125 9.048 15.924 -16.836 1.00 73.32 H new ATOM 0 HD12 LEU A 125 10.201 17.250 -16.554 1.00 73.32 H new ATOM 0 HD13 LEU A 125 8.546 17.611 -17.100 1.00 73.32 H new ATOM 0 HD21 LEU A 125 8.399 15.301 -19.132 1.00 43.04 H new ATOM 0 HD22 LEU A 125 7.872 16.964 -19.488 1.00 43.04 H new ATOM 0 HD23 LEU A 125 9.079 16.171 -20.528 1.00 43.04 H new ATOM 1936 N ASP A 126 11.842 19.698 -21.535 1.00 74.31 N ATOM 1937 CA ASP A 126 11.910 19.999 -22.960 1.00 61.44 C ATOM 1938 C ASP A 126 13.149 19.369 -23.590 1.00 10.13 C ATOM 1939 O ASP A 126 13.084 18.799 -24.679 1.00 55.51 O ATOM 1940 CB ASP A 126 11.922 21.512 -23.184 1.00 21.41 C ATOM 1941 CG ASP A 126 11.296 21.906 -24.507 1.00 50.31 C ATOM 1942 OD1 ASP A 126 10.962 21.000 -25.299 1.00 11.35 O ATOM 1943 OD2 ASP A 126 11.141 23.121 -24.751 1.00 51.45 O ATOM 0 H ASP A 126 11.808 20.520 -20.932 1.00 74.31 H new ATOM 0 HA ASP A 126 11.026 19.576 -23.438 1.00 61.44 H new ATOM 0 HB2 ASP A 126 11.385 22.001 -22.371 1.00 21.41 H new ATOM 0 HB3 ASP A 126 12.950 21.873 -23.150 1.00 21.41 H new ATOM 1948 N VAL A 127 14.278 19.477 -22.897 1.00 23.23 N ATOM 1949 CA VAL A 127 15.533 18.918 -23.387 1.00 55.33 C ATOM 1950 C VAL A 127 15.536 17.397 -23.281 1.00 12.50 C ATOM 1951 O VAL A 127 15.635 16.695 -24.287 1.00 40.15 O ATOM 1952 CB VAL A 127 16.738 19.479 -22.610 1.00 65.14 C ATOM 1953 CG1 VAL A 127 18.030 18.835 -23.091 1.00 51.15 C ATOM 1954 CG2 VAL A 127 16.804 20.992 -22.749 1.00 11.45 C ATOM 0 H VAL A 127 14.350 19.947 -21.994 1.00 23.23 H new ATOM 0 HA VAL A 127 15.620 19.206 -24.435 1.00 55.33 H new ATOM 0 HB VAL A 127 16.611 19.239 -21.554 1.00 65.14 H new ATOM 0 HG11 VAL A 127 18.871 19.244 -22.531 1.00 51.15 H new ATOM 0 HG12 VAL A 127 17.979 17.757 -22.935 1.00 51.15 H new ATOM 0 HG13 VAL A 127 18.166 19.042 -24.152 1.00 51.15 H new ATOM 0 HG21 VAL A 127 17.662 21.371 -22.193 1.00 11.45 H new ATOM 0 HG22 VAL A 127 16.907 21.257 -23.801 1.00 11.45 H new ATOM 0 HG23 VAL A 127 15.890 21.434 -22.352 1.00 11.45 H new ATOM 1964 N ILE A 128 15.426 16.895 -22.056 1.00 1.43 N ATOM 1965 CA ILE A 128 15.415 15.457 -21.818 1.00 53.41 C ATOM 1966 C ILE A 128 14.384 14.762 -22.701 1.00 52.50 C ATOM 1967 O ILE A 128 14.538 13.592 -23.049 1.00 70.24 O ATOM 1968 CB ILE A 128 15.113 15.133 -20.343 1.00 70.21 C ATOM 1969 CG1 ILE A 128 15.563 13.709 -20.009 1.00 74.13 C ATOM 1970 CG2 ILE A 128 13.629 15.307 -20.055 1.00 62.23 C ATOM 1971 CD1 ILE A 128 16.048 13.547 -18.586 1.00 24.30 C ATOM 0 H ILE A 128 15.343 17.463 -21.213 1.00 1.43 H new ATOM 0 HA ILE A 128 16.410 15.088 -22.066 1.00 53.41 H new ATOM 0 HB ILE A 128 15.669 15.827 -19.713 1.00 70.21 H new ATOM 0 HG12 ILE A 128 14.733 13.024 -20.181 1.00 74.13 H new ATOM 0 HG13 ILE A 128 16.362 13.419 -20.692 1.00 74.13 H new ATOM 0 HG21 ILE A 128 13.432 15.074 -19.009 1.00 62.23 H new ATOM 0 HG22 ILE A 128 13.337 16.337 -20.259 1.00 62.23 H new ATOM 0 HG23 ILE A 128 13.054 14.634 -20.691 1.00 62.23 H new ATOM 0 HD11 ILE A 128 16.351 12.513 -18.420 1.00 24.30 H new ATOM 0 HD12 ILE A 128 16.899 14.206 -18.414 1.00 24.30 H new ATOM 0 HD13 ILE A 128 15.244 13.805 -17.896 1.00 24.30 H new ATOM 1983 N ASP A 129 13.334 15.492 -23.061 1.00 35.11 N ATOM 1984 CA ASP A 129 12.278 14.947 -23.906 1.00 74.03 C ATOM 1985 C ASP A 129 12.859 14.343 -25.181 1.00 2.40 C ATOM 1986 O ASP A 129 12.417 13.290 -25.637 1.00 71.51 O ATOM 1987 CB ASP A 129 11.264 16.037 -24.260 1.00 23.25 C ATOM 1988 CG ASP A 129 10.323 15.614 -25.370 1.00 33.11 C ATOM 1989 OD1 ASP A 129 10.012 14.408 -25.456 1.00 75.21 O ATOM 1990 OD2 ASP A 129 9.898 16.489 -26.153 1.00 75.03 O ATOM 0 H ASP A 129 13.192 16.462 -22.781 1.00 35.11 H new ATOM 0 HA ASP A 129 11.772 14.158 -23.349 1.00 74.03 H new ATOM 0 HB2 ASP A 129 10.684 16.291 -23.373 1.00 23.25 H new ATOM 0 HB3 ASP A 129 11.796 16.939 -24.562 1.00 23.25 H new ATOM 1995 N GLN A 130 13.852 15.020 -25.751 1.00 34.45 N ATOM 1996 CA GLN A 130 14.492 14.550 -26.974 1.00 12.34 C ATOM 1997 C GLN A 130 15.076 13.155 -26.781 1.00 62.22 C ATOM 1998 O GLN A 130 15.210 12.390 -27.736 1.00 51.21 O ATOM 1999 CB GLN A 130 15.592 15.522 -27.404 1.00 1.14 C ATOM 2000 CG GLN A 130 15.842 15.533 -28.903 1.00 40.30 C ATOM 2001 CD GLN A 130 15.234 16.742 -29.587 1.00 33.20 C ATOM 2002 OE1 GLN A 130 15.928 17.503 -30.261 1.00 62.12 O ATOM 2003 NE2 GLN A 130 13.930 16.925 -29.417 1.00 35.51 N ATOM 0 H GLN A 130 14.230 15.894 -25.386 1.00 34.45 H new ATOM 0 HA GLN A 130 13.734 14.501 -27.756 1.00 12.34 H new ATOM 0 HB2 GLN A 130 15.323 16.528 -27.082 1.00 1.14 H new ATOM 0 HB3 GLN A 130 16.518 15.260 -26.892 1.00 1.14 H new ATOM 0 HG2 GLN A 130 16.916 15.517 -29.089 1.00 40.30 H new ATOM 0 HG3 GLN A 130 15.429 14.625 -29.343 1.00 40.30 H new ATOM 0 HE21 GLN A 130 13.393 16.269 -28.850 1.00 35.51 H new ATOM 0 HE22 GLN A 130 13.466 17.721 -29.854 1.00 35.51 H new ATOM 2012 N ALA A 131 15.423 12.830 -25.540 1.00 61.11 N ATOM 2013 CA ALA A 131 15.992 11.526 -25.222 1.00 74.13 C ATOM 2014 C ALA A 131 14.922 10.440 -25.247 1.00 34.30 C ATOM 2015 O ALA A 131 15.036 9.459 -25.983 1.00 54.50 O ATOM 2016 CB ALA A 131 16.675 11.565 -23.864 1.00 4.13 C ATOM 0 H ALA A 131 15.320 13.452 -24.738 1.00 61.11 H new ATOM 0 HA ALA A 131 16.735 11.286 -25.983 1.00 74.13 H new ATOM 0 HB1 ALA A 131 17.095 10.585 -23.640 1.00 4.13 H new ATOM 0 HB2 ALA A 131 17.473 12.307 -23.879 1.00 4.13 H new ATOM 0 HB3 ALA A 131 15.947 11.831 -23.098 1.00 4.13 H new ATOM 2022 N ARG A 132 13.883 10.620 -24.438 1.00 10.23 N ATOM 2023 CA ARG A 132 12.793 9.654 -24.366 1.00 5.13 C ATOM 2024 C ARG A 132 12.169 9.435 -25.741 1.00 4.12 C ATOM 2025 O ARG A 132 11.877 8.303 -26.129 1.00 11.14 O ATOM 2026 CB ARG A 132 11.726 10.130 -23.379 1.00 54.22 C ATOM 2027 CG ARG A 132 11.240 11.546 -23.644 1.00 31.13 C ATOM 2028 CD ARG A 132 10.240 11.998 -22.591 1.00 24.15 C ATOM 2029 NE ARG A 132 9.141 12.763 -23.172 1.00 40.41 N ATOM 2030 CZ ARG A 132 8.178 12.222 -23.909 1.00 52.04 C ATOM 2031 NH1 ARG A 132 8.178 10.919 -24.153 1.00 63.25 N ATOM 2032 NH2 ARG A 132 7.211 12.985 -24.404 1.00 20.31 N ATOM 0 H ARG A 132 13.773 11.426 -23.823 1.00 10.23 H new ATOM 0 HA ARG A 132 13.203 8.706 -24.017 1.00 5.13 H new ATOM 0 HB2 ARG A 132 10.876 9.449 -23.420 1.00 54.22 H new ATOM 0 HB3 ARG A 132 12.129 10.076 -22.368 1.00 54.22 H new ATOM 0 HG2 ARG A 132 12.091 12.228 -23.656 1.00 31.13 H new ATOM 0 HG3 ARG A 132 10.779 11.595 -24.630 1.00 31.13 H new ATOM 0 HD2 ARG A 132 9.840 11.126 -22.073 1.00 24.15 H new ATOM 0 HD3 ARG A 132 10.750 12.607 -21.844 1.00 24.15 H new ATOM 0 HE ARG A 132 9.111 13.768 -23.003 1.00 40.41 H new ATOM 0 HH11 ARG A 132 8.919 10.329 -23.774 1.00 63.25 H new ATOM 0 HH12 ARG A 132 7.437 10.506 -24.719 1.00 63.25 H new ATOM 0 HH21 ARG A 132 7.207 13.988 -24.218 1.00 20.31 H new ATOM 0 HH22 ARG A 132 6.472 12.568 -24.970 1.00 20.31 H new ATOM 2046 N LEU A 133 11.968 10.525 -26.473 1.00 74.34 N ATOM 2047 CA LEU A 133 11.378 10.452 -27.806 1.00 14.43 C ATOM 2048 C LEU A 133 12.287 9.690 -28.763 1.00 62.54 C ATOM 2049 O LEU A 133 11.828 8.846 -29.534 1.00 40.42 O ATOM 2050 CB LEU A 133 11.115 11.859 -28.346 1.00 11.44 C ATOM 2051 CG LEU A 133 9.776 12.067 -29.054 1.00 13.43 C ATOM 2052 CD1 LEU A 133 8.621 11.746 -28.118 1.00 23.54 C ATOM 2053 CD2 LEU A 133 9.663 13.493 -29.572 1.00 54.54 C ATOM 0 H LEU A 133 12.204 11.469 -26.167 1.00 74.34 H new ATOM 0 HA LEU A 133 10.432 9.916 -27.729 1.00 14.43 H new ATOM 0 HB2 LEU A 133 11.177 12.563 -27.516 1.00 11.44 H new ATOM 0 HB3 LEU A 133 11.914 12.115 -29.041 1.00 11.44 H new ATOM 0 HG LEU A 133 9.727 11.387 -29.904 1.00 13.43 H new ATOM 0 HD11 LEU A 133 7.676 11.900 -28.640 1.00 23.54 H new ATOM 0 HD12 LEU A 133 8.692 10.707 -27.795 1.00 23.54 H new ATOM 0 HD13 LEU A 133 8.666 12.400 -27.247 1.00 23.54 H new ATOM 0 HD21 LEU A 133 8.704 13.623 -30.073 1.00 54.54 H new ATOM 0 HD22 LEU A 133 9.734 14.190 -28.737 1.00 54.54 H new ATOM 0 HD23 LEU A 133 10.470 13.689 -30.278 1.00 54.54 H new ATOM 2065 N LYS A 134 13.580 9.989 -28.708 1.00 44.41 N ATOM 2066 CA LYS A 134 14.557 9.330 -29.567 1.00 54.24 C ATOM 2067 C LYS A 134 14.496 7.816 -29.397 1.00 62.44 C ATOM 2068 O LYS A 134 14.802 7.065 -30.324 1.00 13.33 O ATOM 2069 CB LYS A 134 15.967 9.834 -29.252 1.00 31.44 C ATOM 2070 CG LYS A 134 16.454 10.915 -30.201 1.00 73.41 C ATOM 2071 CD LYS A 134 17.953 10.822 -30.430 1.00 71.32 C ATOM 2072 CE LYS A 134 18.514 12.123 -30.984 1.00 72.40 C ATOM 2073 NZ LYS A 134 19.682 11.887 -31.877 1.00 2.32 N ATOM 0 H LYS A 134 13.977 10.685 -28.076 1.00 44.41 H new ATOM 0 HA LYS A 134 14.315 9.572 -30.602 1.00 54.24 H new ATOM 0 HB2 LYS A 134 15.986 10.221 -28.233 1.00 31.44 H new ATOM 0 HB3 LYS A 134 16.660 8.993 -29.286 1.00 31.44 H new ATOM 0 HG2 LYS A 134 15.933 10.825 -31.154 1.00 73.41 H new ATOM 0 HG3 LYS A 134 16.207 11.896 -29.794 1.00 73.41 H new ATOM 0 HD2 LYS A 134 18.451 10.580 -29.491 1.00 71.32 H new ATOM 0 HD3 LYS A 134 18.166 10.008 -31.123 1.00 71.32 H new ATOM 0 HE2 LYS A 134 17.735 12.649 -31.536 1.00 72.40 H new ATOM 0 HE3 LYS A 134 18.812 12.770 -30.159 1.00 72.40 H new ATOM 0 HZ1 LYS A 134 20.036 12.798 -32.234 1.00 2.32 H new ATOM 0 HZ2 LYS A 134 20.436 11.408 -31.344 1.00 2.32 H new ATOM 0 HZ3 LYS A 134 19.392 11.290 -32.678 1.00 2.32 H new ATOM 2087 N MET A 135 14.099 7.374 -28.209 1.00 32.52 N ATOM 2088 CA MET A 135 13.996 5.948 -27.919 1.00 71.14 C ATOM 2089 C MET A 135 12.733 5.357 -28.538 1.00 51.42 C ATOM 2090 O MET A 135 12.782 4.321 -29.202 1.00 51.40 O ATOM 2091 CB MET A 135 13.996 5.711 -26.408 1.00 1.10 C ATOM 2092 CG MET A 135 14.738 4.452 -25.990 1.00 73.32 C ATOM 2093 SD MET A 135 15.509 4.606 -24.368 1.00 24.01 S ATOM 2094 CE MET A 135 14.087 4.997 -23.352 1.00 50.43 C ATOM 0 H MET A 135 13.843 7.982 -27.431 1.00 32.52 H new ATOM 0 HA MET A 135 14.861 5.451 -28.357 1.00 71.14 H new ATOM 0 HB2 MET A 135 14.449 6.571 -25.914 1.00 1.10 H new ATOM 0 HB3 MET A 135 12.965 5.648 -26.058 1.00 1.10 H new ATOM 0 HG2 MET A 135 14.043 3.612 -25.979 1.00 73.32 H new ATOM 0 HG3 MET A 135 15.503 4.223 -26.731 1.00 73.32 H new ATOM 0 HE1 MET A 135 14.367 4.948 -22.300 1.00 50.43 H new ATOM 0 HE2 MET A 135 13.737 6.002 -23.588 1.00 50.43 H new ATOM 0 HE3 MET A 135 13.291 4.279 -23.549 1.00 50.43 H new ATOM 2104 N ILE A 136 11.604 6.022 -28.316 1.00 41.32 N ATOM 2105 CA ILE A 136 10.329 5.563 -28.853 1.00 62.20 C ATOM 2106 C ILE A 136 10.398 5.397 -30.367 1.00 62.23 C ATOM 2107 O ILE A 136 10.164 4.309 -30.894 1.00 50.21 O ATOM 2108 CB ILE A 136 9.188 6.537 -28.506 1.00 42.31 C ATOM 2109 CG1 ILE A 136 9.071 6.700 -26.989 1.00 53.13 C ATOM 2110 CG2 ILE A 136 7.874 6.046 -29.095 1.00 24.30 C ATOM 2111 CD1 ILE A 136 8.684 5.425 -26.273 1.00 2.11 C ATOM 0 H ILE A 136 11.546 6.880 -27.768 1.00 41.32 H new ATOM 0 HA ILE A 136 10.123 4.597 -28.393 1.00 62.20 H new ATOM 0 HB ILE A 136 9.416 7.510 -28.940 1.00 42.31 H new ATOM 0 HG12 ILE A 136 10.024 7.054 -26.595 1.00 53.13 H new ATOM 0 HG13 ILE A 136 8.330 7.469 -26.770 1.00 53.13 H new ATOM 0 HG21 ILE A 136 7.077 6.745 -28.841 1.00 24.30 H new ATOM 0 HG22 ILE A 136 7.964 5.977 -30.179 1.00 24.30 H new ATOM 0 HG23 ILE A 136 7.637 5.063 -28.688 1.00 24.30 H new ATOM 0 HD11 ILE A 136 8.620 5.615 -25.202 1.00 2.11 H new ATOM 0 HD12 ILE A 136 7.717 5.081 -26.639 1.00 2.11 H new ATOM 0 HD13 ILE A 136 9.436 4.659 -26.461 1.00 2.11 H new ATOM 2123 N SER A 137 10.723 6.482 -31.062 1.00 11.50 N ATOM 2124 CA SER A 137 10.821 6.458 -32.517 1.00 2.13 C ATOM 2125 C SER A 137 12.117 5.787 -32.962 1.00 72.04 C ATOM 2126 O SER A 137 13.005 6.435 -33.515 1.00 1.21 O ATOM 2127 CB SER A 137 10.751 7.880 -33.078 1.00 32.34 C ATOM 2128 OG SER A 137 10.958 7.886 -34.479 1.00 62.34 O ATOM 0 H SER A 137 10.923 7.389 -30.641 1.00 11.50 H new ATOM 0 HA SER A 137 9.981 5.881 -32.904 1.00 2.13 H new ATOM 0 HB2 SER A 137 9.779 8.317 -32.849 1.00 32.34 H new ATOM 0 HB3 SER A 137 11.503 8.503 -32.593 1.00 32.34 H new ATOM 0 HG SER A 137 11.897 7.684 -34.672 1.00 62.34 H new ATOM 2228 N ALA A 170 25.366 22.211 -0.897 1.00 33.51 N ATOM 2229 CA ALA A 170 24.214 22.737 -1.619 1.00 61.42 C ATOM 2230 C ALA A 170 22.982 22.790 -0.723 1.00 15.11 C ATOM 2231 O ALA A 170 22.348 23.837 -0.582 1.00 75.53 O ATOM 2232 CB ALA A 170 23.935 21.893 -2.854 1.00 71.40 C ATOM 0 HA ALA A 170 24.447 23.755 -1.933 1.00 61.42 H new ATOM 0 HB1 ALA A 170 23.072 22.297 -3.384 1.00 71.40 H new ATOM 0 HB2 ALA A 170 24.805 21.911 -3.511 1.00 71.40 H new ATOM 0 HB3 ALA A 170 23.728 20.866 -2.554 1.00 71.40 H new ATOM 2238 N THR A 171 22.645 21.655 -0.118 1.00 65.10 N ATOM 2239 CA THR A 171 21.488 21.572 0.763 1.00 14.11 C ATOM 2240 C THR A 171 21.589 22.582 1.900 1.00 14.42 C ATOM 2241 O THR A 171 20.576 23.011 2.454 1.00 21.43 O ATOM 2242 CB THR A 171 21.335 20.160 1.359 1.00 73.34 C ATOM 2243 OG1 THR A 171 20.270 20.144 2.316 1.00 53.24 O ATOM 2244 CG2 THR A 171 22.627 19.710 2.023 1.00 20.31 C ATOM 0 H THR A 171 23.158 20.780 -0.223 1.00 65.10 H new ATOM 0 HA THR A 171 20.612 21.799 0.155 1.00 14.11 H new ATOM 0 HB THR A 171 21.103 19.471 0.547 1.00 73.34 H new ATOM 0 HG1 THR A 171 20.179 19.242 2.689 1.00 53.24 H new ATOM 0 HG21 THR A 171 22.495 18.710 2.437 1.00 20.31 H new ATOM 0 HG22 THR A 171 23.429 19.694 1.285 1.00 20.31 H new ATOM 0 HG23 THR A 171 22.885 20.403 2.824 1.00 20.31 H new ATOM 2252 N ARG A 172 22.816 22.960 2.243 1.00 71.13 N ATOM 2253 CA ARG A 172 23.049 23.920 3.315 1.00 55.22 C ATOM 2254 C ARG A 172 22.367 25.251 3.010 1.00 44.23 C ATOM 2255 O ARG A 172 21.596 25.764 3.820 1.00 72.25 O ATOM 2256 CB ARG A 172 24.549 24.138 3.517 1.00 63.42 C ATOM 2257 CG ARG A 172 24.988 24.045 4.969 1.00 11.32 C ATOM 2258 CD ARG A 172 24.818 25.375 5.688 1.00 61.40 C ATOM 2259 NE ARG A 172 25.238 25.299 7.085 1.00 72.02 N ATOM 2260 CZ ARG A 172 26.508 25.330 7.473 1.00 33.33 C ATOM 2261 NH1 ARG A 172 27.477 25.434 6.575 1.00 50.43 N ATOM 2262 NH2 ARG A 172 26.810 25.256 8.763 1.00 1.22 N ATOM 0 H ARG A 172 23.665 22.616 1.794 1.00 71.13 H new ATOM 0 HA ARG A 172 22.622 23.514 4.232 1.00 55.22 H new ATOM 0 HB2 ARG A 172 25.097 23.399 2.933 1.00 63.42 H new ATOM 0 HB3 ARG A 172 24.821 25.119 3.126 1.00 63.42 H new ATOM 0 HG2 ARG A 172 24.405 23.278 5.478 1.00 11.32 H new ATOM 0 HG3 ARG A 172 26.032 23.736 5.016 1.00 11.32 H new ATOM 0 HD2 ARG A 172 25.400 26.141 5.176 1.00 61.40 H new ATOM 0 HD3 ARG A 172 23.773 25.682 5.640 1.00 61.40 H new ATOM 0 HE ARG A 172 24.517 25.218 7.802 1.00 72.02 H new ATOM 0 HH11 ARG A 172 27.249 25.491 5.583 1.00 50.43 H new ATOM 0 HH12 ARG A 172 28.451 25.458 6.876 1.00 50.43 H new ATOM 0 HH21 ARG A 172 26.067 25.175 9.457 1.00 1.22 H new ATOM 0 HH22 ARG A 172 27.785 25.280 9.061 1.00 1.22 H new ATOM 2276 N GLU A 173 22.660 25.805 1.837 1.00 74.52 N ATOM 2277 CA GLU A 173 22.076 27.076 1.426 1.00 1.34 C ATOM 2278 C GLU A 173 20.555 26.980 1.360 1.00 54.44 C ATOM 2279 O GLU A 173 19.844 27.864 1.840 1.00 14.21 O ATOM 2280 CB GLU A 173 22.631 27.502 0.066 1.00 44.23 C ATOM 2281 CG GLU A 173 24.111 27.846 0.093 1.00 62.01 C ATOM 2282 CD GLU A 173 24.582 28.499 -1.192 1.00 10.40 C ATOM 2283 OE1 GLU A 173 23.839 28.440 -2.194 1.00 33.11 O ATOM 2284 OE2 GLU A 173 25.693 29.070 -1.196 1.00 32.41 O ATOM 0 H GLU A 173 23.298 25.394 1.156 1.00 74.52 H new ATOM 0 HA GLU A 173 22.343 27.826 2.170 1.00 1.34 H new ATOM 0 HB2 GLU A 173 22.466 26.699 -0.652 1.00 44.23 H new ATOM 0 HB3 GLU A 173 22.072 28.367 -0.290 1.00 44.23 H new ATOM 0 HG2 GLU A 173 24.309 28.515 0.930 1.00 62.01 H new ATOM 0 HG3 GLU A 173 24.688 26.938 0.267 1.00 62.01 H new ATOM 2291 N LEU A 174 20.062 25.902 0.760 1.00 15.33 N ATOM 2292 CA LEU A 174 18.624 25.690 0.629 1.00 22.32 C ATOM 2293 C LEU A 174 17.948 25.684 1.996 1.00 13.23 C ATOM 2294 O LEU A 174 16.908 26.315 2.188 1.00 31.20 O ATOM 2295 CB LEU A 174 18.348 24.371 -0.095 1.00 32.24 C ATOM 2296 CG LEU A 174 18.731 24.324 -1.574 1.00 63.11 C ATOM 2297 CD1 LEU A 174 19.198 22.929 -1.961 1.00 12.04 C ATOM 2298 CD2 LEU A 174 17.559 24.756 -2.443 1.00 0.11 C ATOM 0 H LEU A 174 20.636 25.162 0.357 1.00 15.33 H new ATOM 0 HA LEU A 174 18.212 26.512 0.044 1.00 22.32 H new ATOM 0 HB2 LEU A 174 18.884 23.576 0.424 1.00 32.24 H new ATOM 0 HB3 LEU A 174 17.285 24.148 -0.008 1.00 32.24 H new ATOM 0 HG LEU A 174 19.555 25.019 -1.738 1.00 63.11 H new ATOM 0 HD11 LEU A 174 19.466 22.915 -3.017 1.00 12.04 H new ATOM 0 HD12 LEU A 174 20.067 22.657 -1.362 1.00 12.04 H new ATOM 0 HD13 LEU A 174 18.395 22.214 -1.781 1.00 12.04 H new ATOM 0 HD21 LEU A 174 17.850 24.716 -3.493 1.00 0.11 H new ATOM 0 HD22 LEU A 174 16.715 24.087 -2.275 1.00 0.11 H new ATOM 0 HD23 LEU A 174 17.271 25.775 -2.185 1.00 0.11 H new ATOM 2310 N ASP A 175 18.546 24.970 2.944 1.00 52.25 N ATOM 2311 CA ASP A 175 18.003 24.885 4.294 1.00 0.24 C ATOM 2312 C ASP A 175 18.132 26.222 5.017 1.00 3.41 C ATOM 2313 O ASP A 175 17.198 26.673 5.679 1.00 51.43 O ATOM 2314 CB ASP A 175 18.720 23.791 5.087 1.00 3.53 C ATOM 2315 CG ASP A 175 18.450 23.884 6.576 1.00 31.12 C ATOM 2316 OD1 ASP A 175 17.309 23.591 6.992 1.00 51.53 O ATOM 2317 OD2 ASP A 175 19.380 24.248 7.326 1.00 34.21 O ATOM 0 H ASP A 175 19.407 24.442 2.802 1.00 52.25 H new ATOM 0 HA ASP A 175 16.945 24.634 4.218 1.00 0.24 H new ATOM 0 HB2 ASP A 175 18.401 22.814 4.723 1.00 3.53 H new ATOM 0 HB3 ASP A 175 19.793 23.862 4.910 1.00 3.53 H new ATOM 2322 N GLU A 176 19.297 26.850 4.886 1.00 53.21 N ATOM 2323 CA GLU A 176 19.548 28.135 5.528 1.00 32.15 C ATOM 2324 C GLU A 176 18.536 29.180 5.068 1.00 10.43 C ATOM 2325 O GLU A 176 17.823 29.771 5.881 1.00 72.42 O ATOM 2326 CB GLU A 176 20.968 28.614 5.222 1.00 2.43 C ATOM 2327 CG GLU A 176 21.969 28.291 6.319 1.00 64.15 C ATOM 2328 CD GLU A 176 21.972 29.323 7.429 1.00 3.22 C ATOM 2329 OE1 GLU A 176 22.461 30.448 7.192 1.00 72.23 O ATOM 2330 OE2 GLU A 176 21.487 29.007 8.535 1.00 33.12 O ATOM 0 H GLU A 176 20.081 26.490 4.342 1.00 53.21 H new ATOM 0 HA GLU A 176 19.442 28.001 6.605 1.00 32.15 H new ATOM 0 HB2 GLU A 176 21.303 28.158 4.290 1.00 2.43 H new ATOM 0 HB3 GLU A 176 20.952 29.692 5.062 1.00 2.43 H new ATOM 0 HG2 GLU A 176 21.738 27.312 6.739 1.00 64.15 H new ATOM 0 HG3 GLU A 176 22.967 28.225 5.887 1.00 64.15 H new ATOM 2337 N LEU A 177 18.480 29.405 3.760 1.00 32.12 N ATOM 2338 CA LEU A 177 17.556 30.380 3.190 1.00 21.52 C ATOM 2339 C LEU A 177 16.118 30.066 3.590 1.00 30.51 C ATOM 2340 O LEU A 177 15.307 30.970 3.787 1.00 73.30 O ATOM 2341 CB LEU A 177 17.681 30.399 1.666 1.00 72.13 C ATOM 2342 CG LEU A 177 18.652 31.427 1.085 1.00 52.42 C ATOM 2343 CD1 LEU A 177 18.160 32.840 1.358 1.00 15.12 C ATOM 2344 CD2 LEU A 177 20.047 31.227 1.658 1.00 62.33 C ATOM 0 H LEU A 177 19.063 28.926 3.074 1.00 32.12 H new ATOM 0 HA LEU A 177 17.816 31.363 3.582 1.00 21.52 H new ATOM 0 HB2 LEU A 177 17.991 29.408 1.335 1.00 72.13 H new ATOM 0 HB3 LEU A 177 16.693 30.582 1.243 1.00 72.13 H new ATOM 0 HG LEU A 177 18.700 31.283 0.006 1.00 52.42 H new ATOM 0 HD11 LEU A 177 18.864 33.558 0.937 1.00 15.12 H new ATOM 0 HD12 LEU A 177 17.181 32.980 0.899 1.00 15.12 H new ATOM 0 HD13 LEU A 177 18.082 32.997 2.434 1.00 15.12 H new ATOM 0 HD21 LEU A 177 20.725 31.968 1.233 1.00 62.33 H new ATOM 0 HD22 LEU A 177 20.015 31.343 2.741 1.00 62.33 H new ATOM 0 HD23 LEU A 177 20.402 30.226 1.411 1.00 62.33 H new ATOM 2356 N MET A 178 15.810 28.778 3.710 1.00 3.23 N ATOM 2357 CA MET A 178 14.471 28.345 4.091 1.00 54.45 C ATOM 2358 C MET A 178 14.050 28.979 5.413 1.00 75.42 C ATOM 2359 O MET A 178 12.935 29.483 5.543 1.00 75.31 O ATOM 2360 CB MET A 178 14.417 26.820 4.202 1.00 54.52 C ATOM 2361 CG MET A 178 13.006 26.271 4.337 1.00 31.30 C ATOM 2362 SD MET A 178 12.306 25.758 2.756 1.00 13.25 S ATOM 2363 CE MET A 178 11.319 27.194 2.342 1.00 52.32 C ATOM 0 H MET A 178 16.470 28.017 3.549 1.00 3.23 H new ATOM 0 HA MET A 178 13.777 28.670 3.316 1.00 54.45 H new ATOM 0 HB2 MET A 178 14.886 26.383 3.320 1.00 54.52 H new ATOM 0 HB3 MET A 178 15.005 26.505 5.064 1.00 54.52 H new ATOM 0 HG2 MET A 178 13.015 25.421 5.019 1.00 31.30 H new ATOM 0 HG3 MET A 178 12.366 27.031 4.784 1.00 31.30 H new ATOM 0 HE1 MET A 178 10.262 26.954 2.454 1.00 52.32 H new ATOM 0 HE2 MET A 178 11.577 28.017 3.009 1.00 52.32 H new ATOM 0 HE3 MET A 178 11.517 27.487 1.311 1.00 52.32 H new ATOM 2373 N ALA A 179 14.949 28.948 6.391 1.00 14.51 N ATOM 2374 CA ALA A 179 14.670 29.521 7.702 1.00 2.03 C ATOM 2375 C ALA A 179 14.555 31.040 7.625 1.00 22.41 C ATOM 2376 O ALA A 179 13.741 31.646 8.321 1.00 54.25 O ATOM 2377 CB ALA A 179 15.753 29.122 8.693 1.00 24.44 C ATOM 0 H ALA A 179 15.876 28.532 6.300 1.00 14.51 H new ATOM 0 HA ALA A 179 13.714 29.128 8.047 1.00 2.03 H new ATOM 0 HB1 ALA A 179 15.532 29.557 9.668 1.00 24.44 H new ATOM 0 HB2 ALA A 179 15.785 28.036 8.779 1.00 24.44 H new ATOM 0 HB3 ALA A 179 16.719 29.487 8.343 1.00 24.44 H new ATOM 2383 N SER A 180 15.377 31.648 6.776 1.00 54.35 N ATOM 2384 CA SER A 180 15.370 33.097 6.611 1.00 51.10 C ATOM 2385 C SER A 180 14.007 33.583 6.128 1.00 74.30 C ATOM 2386 O SER A 180 13.589 34.701 6.432 1.00 44.24 O ATOM 2387 CB SER A 180 16.456 33.524 5.622 1.00 51.33 C ATOM 2388 OG SER A 180 15.924 33.686 4.318 1.00 15.04 O ATOM 0 H SER A 180 16.056 31.160 6.192 1.00 54.35 H new ATOM 0 HA SER A 180 15.574 33.549 7.582 1.00 51.10 H new ATOM 0 HB2 SER A 180 16.906 34.460 5.953 1.00 51.33 H new ATOM 0 HB3 SER A 180 17.250 32.777 5.604 1.00 51.33 H new ATOM 0 HG SER A 180 15.635 32.816 3.972 1.00 15.04 H new ATOM 2394 N LEU A 181 13.317 32.734 5.374 1.00 14.01 N ATOM 2395 CA LEU A 181 11.999 33.075 4.848 1.00 64.12 C ATOM 2396 C LEU A 181 10.900 32.663 5.822 1.00 64.30 C ATOM 2397 O LEU A 181 9.838 33.283 5.873 1.00 22.44 O ATOM 2398 CB LEU A 181 11.778 32.397 3.495 1.00 71.43 C ATOM 2399 CG LEU A 181 12.769 32.764 2.390 1.00 53.15 C ATOM 2400 CD1 LEU A 181 12.660 31.788 1.229 1.00 74.24 C ATOM 2401 CD2 LEU A 181 12.532 34.190 1.914 1.00 60.03 C ATOM 0 H LEU A 181 13.648 31.805 5.113 1.00 14.01 H new ATOM 0 HA LEU A 181 11.956 34.156 4.717 1.00 64.12 H new ATOM 0 HB2 LEU A 181 11.812 31.318 3.642 1.00 71.43 H new ATOM 0 HB3 LEU A 181 10.773 32.640 3.149 1.00 71.43 H new ATOM 0 HG LEU A 181 13.778 32.700 2.797 1.00 53.15 H new ATOM 0 HD11 LEU A 181 13.373 32.065 0.452 1.00 74.24 H new ATOM 0 HD12 LEU A 181 12.879 30.780 1.580 1.00 74.24 H new ATOM 0 HD13 LEU A 181 11.649 31.819 0.822 1.00 74.24 H new ATOM 0 HD21 LEU A 181 13.246 34.434 1.128 1.00 60.03 H new ATOM 0 HD22 LEU A 181 11.518 34.280 1.524 1.00 60.03 H new ATOM 0 HD23 LEU A 181 12.662 34.879 2.749 1.00 60.03 H new ATOM 2413 N SER A 182 11.164 31.614 6.595 1.00 64.14 N ATOM 2414 CA SER A 182 10.197 31.118 7.567 1.00 62.23 C ATOM 2415 C SER A 182 9.983 32.132 8.686 1.00 21.02 C ATOM 2416 O SER A 182 8.851 32.507 8.991 1.00 72.01 O ATOM 2417 CB SER A 182 10.669 29.786 8.153 1.00 20.11 C ATOM 2418 OG SER A 182 10.390 28.713 7.270 1.00 23.25 O ATOM 0 H SER A 182 12.040 31.091 6.567 1.00 64.14 H new ATOM 0 HA SER A 182 9.248 30.965 7.053 1.00 62.23 H new ATOM 0 HB2 SER A 182 11.740 29.831 8.349 1.00 20.11 H new ATOM 0 HB3 SER A 182 10.177 29.611 9.110 1.00 20.11 H new ATOM 0 HG SER A 182 11.066 28.689 6.561 1.00 23.25 H new ATOM 2424 N ASP A 183 11.079 32.572 9.295 1.00 70.51 N ATOM 2425 CA ASP A 183 11.013 33.543 10.380 1.00 1.24 C ATOM 2426 C ASP A 183 12.159 34.546 10.282 1.00 34.14 C ATOM 2427 O ASP A 183 12.041 35.684 10.738 1.00 54.42 O ATOM 2428 CB ASP A 183 11.056 32.832 11.734 1.00 61.34 C ATOM 2429 CG ASP A 183 10.615 33.729 12.874 1.00 65.34 C ATOM 2430 OD1 ASP A 183 9.407 34.029 12.958 1.00 14.42 O ATOM 2431 OD2 ASP A 183 11.480 34.131 13.681 1.00 73.13 O ATOM 0 H ASP A 183 12.024 32.271 9.055 1.00 70.51 H new ATOM 0 HA ASP A 183 10.071 34.084 10.293 1.00 1.24 H new ATOM 0 HB2 ASP A 183 10.414 31.952 11.699 1.00 61.34 H new ATOM 0 HB3 ASP A 183 12.070 32.480 11.924 1.00 61.34 H new