USER MOD reduce.3.24.130724 H: found=0, std=0, add=1136, rem=0, adj=30 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 178 MET CE :methyl 161:sc= -0.0119 (180deg=-0.926) USER MOD Set 1.2: A 182 SER OG : rot -160:sc= 0 USER MOD Set 2.1: A 103 GLN : amide:sc= -5! C(o=-5.2!,f=-6.2!) USER MOD Set 2.2: A 107 LYS NZ :NH3+ -158:sc= -0.198 (180deg=-1.3) USER MOD Set 3.1: A 40 TYR OH : rot 164:sc= -1.32! USER MOD Set 3.2: A 106 TYR OH : rot -75:sc= -0.436 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= -0.916 K(o=-0.92,f=-2.8!) USER MOD Single : A 19 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 176:sc= 0 (180deg=-0.00724) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 MET CE :methyl 156:sc= -1.22 (180deg=-3.15!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 86:sc= 1.03 USER MOD Single : A 57 THR OG1 : rot 160:sc= -0.971 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -61:sc= 0.231 USER MOD Single : A 70 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-1.6) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.516 K(o=-0.52,f=-1.2) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -1.76 K(o=-1.8,f=-3!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 90 LYS NZ :NH3+ -121:sc= 0.00767 (180deg=-0.145) USER MOD Single : A 91 MET CE :methyl -113:sc= -1.57 (180deg=-8.47!) USER MOD Single : A 92 LYS NZ :NH3+ 175:sc= 0.0789 (180deg=0.0734) USER MOD Single : A 95 GLN : amide:sc= -0.157 K(o=-0.16,f=-2!) USER MOD Single : A 96 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.046) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -118:sc= -0.0396 (180deg=-2.34!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0534 USER MOD Single : A 101 SER OG : rot 65:sc= 0.157 USER MOD Single : A 104 GLN : amide:sc= -2.51 K(o=-2.5,f=-5.9!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -1.88 K(o=-1.9,f=-1.4) USER MOD Single : A 110 MET CE :methyl 168:sc= -1.53 (180deg=-2.51) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.0684 X(o=-0.068,f=-0.31) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -1.94 X(o=-1.9,f=-1.5) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 MET CE :methyl -167:sc= 0 (180deg=-0.137) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD Single : A 180 SER OG : rot 180:sc= 0.0881 USER MOD ----------------------------------------------------------------- ATOM 122 N ASP A 12 4.814 12.920 -13.367 1.00 11.32 N ATOM 123 CA ASP A 12 3.867 13.995 -13.644 1.00 65.54 C ATOM 124 C ASP A 12 4.177 15.224 -12.796 1.00 33.12 C ATOM 125 O ASP A 12 3.895 16.354 -13.195 1.00 0.23 O ATOM 126 CB ASP A 12 2.437 13.524 -13.380 1.00 34.43 C ATOM 127 CG ASP A 12 1.649 13.318 -14.659 1.00 12.34 C ATOM 128 OD1 ASP A 12 2.220 12.773 -15.626 1.00 10.02 O ATOM 129 OD2 ASP A 12 0.461 13.704 -14.693 1.00 22.23 O ATOM 0 HA ASP A 12 3.962 14.268 -14.695 1.00 65.54 H new ATOM 0 HB2 ASP A 12 2.463 12.590 -12.819 1.00 34.43 H new ATOM 0 HB3 ASP A 12 1.926 14.257 -12.756 1.00 34.43 H new ATOM 134 N LYS A 13 4.757 14.996 -11.622 1.00 71.14 N ATOM 135 CA LYS A 13 5.105 16.084 -10.716 1.00 61.22 C ATOM 136 C LYS A 13 6.247 16.921 -11.284 1.00 71.42 C ATOM 137 O LYS A 13 6.229 18.149 -11.205 1.00 13.01 O ATOM 138 CB LYS A 13 5.499 15.527 -9.346 1.00 41.41 C ATOM 139 CG LYS A 13 6.168 16.550 -8.444 1.00 32.12 C ATOM 140 CD LYS A 13 5.573 16.534 -7.046 1.00 31.43 C ATOM 141 CE LYS A 13 6.522 17.149 -6.029 1.00 22.42 C ATOM 142 NZ LYS A 13 7.097 16.123 -5.115 1.00 62.44 N ATOM 0 H LYS A 13 4.996 14.067 -11.276 1.00 71.14 H new ATOM 0 HA LYS A 13 4.230 16.724 -10.604 1.00 61.22 H new ATOM 0 HB2 LYS A 13 4.608 15.144 -8.849 1.00 41.41 H new ATOM 0 HB3 LYS A 13 6.174 14.682 -9.487 1.00 41.41 H new ATOM 0 HG2 LYS A 13 7.237 16.343 -8.388 1.00 32.12 H new ATOM 0 HG3 LYS A 13 6.058 17.545 -8.876 1.00 32.12 H new ATOM 0 HD2 LYS A 13 4.631 17.082 -7.044 1.00 31.43 H new ATOM 0 HD3 LYS A 13 5.345 15.508 -6.758 1.00 31.43 H new ATOM 0 HE2 LYS A 13 7.329 17.664 -6.550 1.00 22.42 H new ATOM 0 HE3 LYS A 13 5.991 17.900 -5.444 1.00 22.42 H new ATOM 0 HZ1 LYS A 13 7.738 16.582 -4.437 1.00 62.44 H new ATOM 0 HZ2 LYS A 13 6.329 15.649 -4.598 1.00 62.44 H new ATOM 0 HZ3 LYS A 13 7.626 15.421 -5.670 1.00 62.44 H new ATOM 156 N VAL A 14 7.239 16.248 -11.859 1.00 21.35 N ATOM 157 CA VAL A 14 8.388 16.930 -12.442 1.00 71.33 C ATOM 158 C VAL A 14 7.973 17.779 -13.638 1.00 43.43 C ATOM 159 O VAL A 14 8.429 18.912 -13.796 1.00 14.52 O ATOM 160 CB VAL A 14 9.468 15.927 -12.889 1.00 5.01 C ATOM 161 CG1 VAL A 14 10.651 16.656 -13.509 1.00 14.53 C ATOM 162 CG2 VAL A 14 9.917 15.069 -11.715 1.00 54.41 C ATOM 0 H VAL A 14 7.270 15.231 -11.933 1.00 21.35 H new ATOM 0 HA VAL A 14 8.801 17.576 -11.667 1.00 71.33 H new ATOM 0 HB VAL A 14 9.038 15.271 -13.646 1.00 5.01 H new ATOM 0 HG11 VAL A 14 11.404 15.931 -13.819 1.00 14.53 H new ATOM 0 HG12 VAL A 14 10.315 17.223 -14.377 1.00 14.53 H new ATOM 0 HG13 VAL A 14 11.083 17.337 -12.776 1.00 14.53 H new ATOM 0 HG21 VAL A 14 10.680 14.366 -12.049 1.00 54.41 H new ATOM 0 HG22 VAL A 14 10.329 15.708 -10.934 1.00 54.41 H new ATOM 0 HG23 VAL A 14 9.064 14.518 -11.320 1.00 54.41 H new ATOM 172 N TYR A 15 7.107 17.225 -14.478 1.00 55.14 N ATOM 173 CA TYR A 15 6.631 17.931 -15.662 1.00 41.22 C ATOM 174 C TYR A 15 5.676 19.057 -15.278 1.00 42.41 C ATOM 175 O TYR A 15 5.545 20.046 -15.998 1.00 52.42 O ATOM 176 CB TYR A 15 5.934 16.959 -16.616 1.00 0.51 C ATOM 177 CG TYR A 15 5.301 17.634 -17.812 1.00 45.01 C ATOM 178 CD1 TYR A 15 6.043 18.475 -18.633 1.00 73.21 C ATOM 179 CD2 TYR A 15 3.962 17.430 -18.122 1.00 24.41 C ATOM 180 CE1 TYR A 15 5.469 19.094 -19.726 1.00 75.45 C ATOM 181 CE2 TYR A 15 3.380 18.043 -19.214 1.00 42.22 C ATOM 182 CZ TYR A 15 4.137 18.875 -20.013 1.00 62.40 C ATOM 183 OH TYR A 15 3.562 19.488 -21.102 1.00 51.12 O ATOM 0 H TYR A 15 6.720 16.289 -14.361 1.00 55.14 H new ATOM 0 HA TYR A 15 7.494 18.367 -16.165 1.00 41.22 H new ATOM 0 HB2 TYR A 15 6.659 16.224 -16.966 1.00 0.51 H new ATOM 0 HB3 TYR A 15 5.166 16.414 -16.068 1.00 0.51 H new ATOM 0 HD1 TYR A 15 7.086 18.647 -18.412 1.00 73.21 H new ATOM 0 HD2 TYR A 15 3.366 16.781 -17.498 1.00 24.41 H new ATOM 0 HE1 TYR A 15 6.059 19.746 -20.353 1.00 75.45 H new ATOM 0 HE2 TYR A 15 2.338 17.872 -19.441 1.00 42.22 H new ATOM 0 HH TYR A 15 2.619 19.228 -21.164 1.00 51.12 H new ATOM 193 N GLU A 16 5.013 18.898 -14.137 1.00 53.41 N ATOM 194 CA GLU A 16 4.070 19.901 -13.657 1.00 15.33 C ATOM 195 C GLU A 16 4.802 21.061 -12.987 1.00 62.43 C ATOM 196 O GLU A 16 4.592 22.223 -13.332 1.00 24.23 O ATOM 197 CB GLU A 16 3.080 19.273 -12.673 1.00 52.22 C ATOM 198 CG GLU A 16 2.518 20.259 -11.662 1.00 70.43 C ATOM 199 CD GLU A 16 1.833 21.441 -12.319 1.00 54.10 C ATOM 200 OE1 GLU A 16 1.109 21.230 -13.314 1.00 51.44 O ATOM 201 OE2 GLU A 16 2.020 22.578 -11.837 1.00 23.34 O ATOM 0 H GLU A 16 5.111 18.085 -13.529 1.00 53.41 H new ATOM 0 HA GLU A 16 3.522 20.287 -14.517 1.00 15.33 H new ATOM 0 HB2 GLU A 16 2.256 18.830 -13.233 1.00 52.22 H new ATOM 0 HB3 GLU A 16 3.576 18.462 -12.140 1.00 52.22 H new ATOM 0 HG2 GLU A 16 1.807 19.745 -11.015 1.00 70.43 H new ATOM 0 HG3 GLU A 16 3.325 20.620 -11.025 1.00 70.43 H new ATOM 208 N ASN A 17 5.662 20.734 -12.028 1.00 2.31 N ATOM 209 CA ASN A 17 6.426 21.748 -11.309 1.00 34.33 C ATOM 210 C ASN A 17 7.113 22.703 -12.280 1.00 75.43 C ATOM 211 O ASN A 17 7.019 23.922 -12.140 1.00 14.10 O ATOM 212 CB ASN A 17 7.467 21.085 -10.405 1.00 3.32 C ATOM 213 CG ASN A 17 6.988 20.950 -8.973 1.00 34.14 C ATOM 214 OD1 ASN A 17 6.794 19.841 -8.473 1.00 43.41 O ATOM 215 ND2 ASN A 17 6.793 22.081 -8.305 1.00 11.04 N ATOM 0 H ASN A 17 5.847 19.776 -11.731 1.00 2.31 H new ATOM 0 HA ASN A 17 5.733 22.322 -10.694 1.00 34.33 H new ATOM 0 HB2 ASN A 17 7.710 20.098 -10.798 1.00 3.32 H new ATOM 0 HB3 ASN A 17 8.386 21.671 -10.424 1.00 3.32 H new ATOM 0 HD21 ASN A 17 6.470 22.053 -7.338 1.00 11.04 H new ATOM 0 HD22 ASN A 17 6.966 22.978 -8.759 1.00 11.04 H new ATOM 222 N VAL A 18 7.803 22.139 -13.267 1.00 2.35 N ATOM 223 CA VAL A 18 8.505 22.940 -14.263 1.00 33.31 C ATOM 224 C VAL A 18 7.544 23.869 -14.997 1.00 23.21 C ATOM 225 O VAL A 18 7.954 24.884 -15.562 1.00 34.33 O ATOM 226 CB VAL A 18 9.227 22.049 -15.291 1.00 53.14 C ATOM 227 CG1 VAL A 18 10.339 21.256 -14.623 1.00 62.33 C ATOM 228 CG2 VAL A 18 8.237 21.120 -15.979 1.00 2.40 C ATOM 0 H VAL A 18 7.891 21.131 -13.398 1.00 2.35 H new ATOM 0 HA VAL A 18 9.244 23.536 -13.728 1.00 33.31 H new ATOM 0 HB VAL A 18 9.676 22.690 -16.049 1.00 53.14 H new ATOM 0 HG11 VAL A 18 10.838 20.632 -15.365 1.00 62.33 H new ATOM 0 HG12 VAL A 18 11.061 21.943 -14.182 1.00 62.33 H new ATOM 0 HG13 VAL A 18 9.916 20.623 -13.842 1.00 62.33 H new ATOM 0 HG21 VAL A 18 8.764 20.498 -16.702 1.00 2.40 H new ATOM 0 HG22 VAL A 18 7.757 20.484 -15.235 1.00 2.40 H new ATOM 0 HG23 VAL A 18 7.480 21.712 -16.493 1.00 2.40 H new ATOM 238 N THR A 19 6.263 23.516 -14.985 1.00 34.41 N ATOM 239 CA THR A 19 5.243 24.317 -15.650 1.00 32.23 C ATOM 240 C THR A 19 4.672 25.372 -14.709 1.00 24.23 C ATOM 241 O THR A 19 4.561 26.543 -15.068 1.00 50.10 O ATOM 242 CB THR A 19 4.092 23.438 -16.175 1.00 41.03 C ATOM 243 OG1 THR A 19 4.617 22.356 -16.952 1.00 45.02 O ATOM 244 CG2 THR A 19 3.129 24.257 -17.022 1.00 64.52 C ATOM 0 H THR A 19 5.907 22.680 -14.522 1.00 34.41 H new ATOM 0 HA THR A 19 5.728 24.810 -16.493 1.00 32.23 H new ATOM 0 HB THR A 19 3.549 23.039 -15.318 1.00 41.03 H new ATOM 0 HG1 THR A 19 4.771 21.581 -16.372 1.00 45.02 H new ATOM 0 HG21 THR A 19 2.325 23.615 -17.382 1.00 64.52 H new ATOM 0 HG22 THR A 19 2.709 25.062 -16.419 1.00 64.52 H new ATOM 0 HG23 THR A 19 3.663 24.681 -17.873 1.00 64.52 H new ATOM 252 N GLY A 20 4.313 24.948 -13.501 1.00 13.44 N ATOM 253 CA GLY A 20 3.759 25.870 -12.526 1.00 55.12 C ATOM 254 C GLY A 20 4.591 27.129 -12.380 1.00 35.30 C ATOM 255 O GLY A 20 4.066 28.241 -12.455 1.00 22.21 O ATOM 0 H GLY A 20 4.396 23.983 -13.180 1.00 13.44 H new ATOM 0 HA2 GLY A 20 2.745 26.140 -12.821 1.00 55.12 H new ATOM 0 HA3 GLY A 20 3.687 25.372 -11.559 1.00 55.12 H new ATOM 259 N LEU A 21 5.891 26.955 -12.169 1.00 54.32 N ATOM 260 CA LEU A 21 6.797 28.087 -12.010 1.00 65.21 C ATOM 261 C LEU A 21 6.731 29.012 -13.221 1.00 2.21 C ATOM 262 O LEU A 21 6.850 30.231 -13.091 1.00 62.35 O ATOM 263 CB LEU A 21 8.231 27.592 -11.810 1.00 1.42 C ATOM 264 CG LEU A 21 8.807 26.731 -12.934 1.00 64.01 C ATOM 265 CD1 LEU A 21 9.559 27.594 -13.936 1.00 32.21 C ATOM 266 CD2 LEU A 21 9.719 25.653 -12.366 1.00 41.03 C ATOM 0 H LEU A 21 6.341 26.042 -12.104 1.00 54.32 H new ATOM 0 HA LEU A 21 6.486 28.649 -11.130 1.00 65.21 H new ATOM 0 HB2 LEU A 21 8.878 28.459 -11.676 1.00 1.42 H new ATOM 0 HB3 LEU A 21 8.270 27.019 -10.884 1.00 1.42 H new ATOM 0 HG LEU A 21 7.981 26.244 -13.453 1.00 64.01 H new ATOM 0 HD11 LEU A 21 9.962 26.964 -14.729 1.00 32.21 H new ATOM 0 HD12 LEU A 21 8.878 28.328 -14.367 1.00 32.21 H new ATOM 0 HD13 LEU A 21 10.376 28.109 -13.431 1.00 32.21 H new ATOM 0 HD21 LEU A 21 10.120 25.050 -13.180 1.00 41.03 H new ATOM 0 HD22 LEU A 21 10.540 26.120 -11.822 1.00 41.03 H new ATOM 0 HD23 LEU A 21 9.151 25.016 -11.688 1.00 41.03 H new ATOM 278 N VAL A 22 6.538 28.425 -14.398 1.00 2.41 N ATOM 279 CA VAL A 22 6.452 29.197 -15.632 1.00 4.21 C ATOM 280 C VAL A 22 5.214 30.087 -15.639 1.00 22.42 C ATOM 281 O VAL A 22 5.312 31.305 -15.790 1.00 35.41 O ATOM 282 CB VAL A 22 6.418 28.278 -16.867 1.00 53.15 C ATOM 283 CG1 VAL A 22 6.270 29.099 -18.140 1.00 34.34 C ATOM 284 CG2 VAL A 22 7.668 27.414 -16.923 1.00 62.23 C ATOM 0 H VAL A 22 6.438 27.418 -14.523 1.00 2.41 H new ATOM 0 HA VAL A 22 7.344 29.822 -15.678 1.00 4.21 H new ATOM 0 HB VAL A 22 5.553 27.620 -16.785 1.00 53.15 H new ATOM 0 HG11 VAL A 22 6.248 28.433 -19.002 1.00 34.34 H new ATOM 0 HG12 VAL A 22 5.342 29.670 -18.099 1.00 34.34 H new ATOM 0 HG13 VAL A 22 7.114 29.783 -18.232 1.00 34.34 H new ATOM 0 HG21 VAL A 22 7.627 26.771 -17.802 1.00 62.23 H new ATOM 0 HG22 VAL A 22 8.549 28.053 -16.982 1.00 62.23 H new ATOM 0 HG23 VAL A 22 7.725 26.798 -16.025 1.00 62.23 H new ATOM 294 N LYS A 23 4.049 29.470 -15.474 1.00 12.13 N ATOM 295 CA LYS A 23 2.789 30.205 -15.459 1.00 24.23 C ATOM 296 C LYS A 23 2.784 31.252 -14.350 1.00 52.41 C ATOM 297 O LYS A 23 2.076 32.256 -14.435 1.00 64.21 O ATOM 298 CB LYS A 23 1.615 29.241 -15.271 1.00 4.35 C ATOM 299 CG LYS A 23 1.600 28.559 -13.914 1.00 21.14 C ATOM 300 CD LYS A 23 0.243 27.944 -13.614 1.00 1.53 C ATOM 301 CE LYS A 23 -0.344 28.493 -12.322 1.00 61.02 C ATOM 302 NZ LYS A 23 -1.746 28.036 -12.112 1.00 43.53 N ATOM 0 H LYS A 23 3.951 28.463 -15.349 1.00 12.13 H new ATOM 0 HA LYS A 23 2.682 30.715 -16.416 1.00 24.23 H new ATOM 0 HB2 LYS A 23 0.682 29.788 -15.404 1.00 4.35 H new ATOM 0 HB3 LYS A 23 1.652 28.480 -16.050 1.00 4.35 H new ATOM 0 HG2 LYS A 23 2.366 27.784 -13.887 1.00 21.14 H new ATOM 0 HG3 LYS A 23 1.852 29.283 -13.139 1.00 21.14 H new ATOM 0 HD2 LYS A 23 -0.440 28.145 -14.440 1.00 1.53 H new ATOM 0 HD3 LYS A 23 0.342 26.861 -13.539 1.00 1.53 H new ATOM 0 HE2 LYS A 23 0.271 28.176 -11.480 1.00 61.02 H new ATOM 0 HE3 LYS A 23 -0.317 29.582 -12.345 1.00 61.02 H new ATOM 0 HZ1 LYS A 23 -2.110 28.431 -11.222 1.00 43.53 H new ATOM 0 HZ2 LYS A 23 -2.339 28.360 -12.903 1.00 43.53 H new ATOM 0 HZ3 LYS A 23 -1.769 26.997 -12.065 1.00 43.53 H new ATOM 316 N ALA A 24 3.578 31.013 -13.312 1.00 32.34 N ATOM 317 CA ALA A 24 3.666 31.937 -12.188 1.00 44.44 C ATOM 318 C ALA A 24 4.478 33.174 -12.558 1.00 51.43 C ATOM 319 O ALA A 24 4.112 34.297 -12.208 1.00 62.44 O ATOM 320 CB ALA A 24 4.279 31.244 -10.981 1.00 21.42 C ATOM 0 H ALA A 24 4.170 30.187 -13.226 1.00 32.34 H new ATOM 0 HA ALA A 24 2.656 32.259 -11.934 1.00 44.44 H new ATOM 0 HB1 ALA A 24 4.338 31.946 -10.150 1.00 21.42 H new ATOM 0 HB2 ALA A 24 3.659 30.395 -10.695 1.00 21.42 H new ATOM 0 HB3 ALA A 24 5.280 30.894 -11.232 1.00 21.42 H new ATOM 326 N VAL A 25 5.582 32.962 -13.267 1.00 71.15 N ATOM 327 CA VAL A 25 6.445 34.060 -13.685 1.00 43.02 C ATOM 328 C VAL A 25 5.686 35.056 -14.554 1.00 12.41 C ATOM 329 O VAL A 25 6.045 36.232 -14.626 1.00 61.04 O ATOM 330 CB VAL A 25 7.670 33.546 -14.465 1.00 23.44 C ATOM 331 CG1 VAL A 25 8.537 34.708 -14.925 1.00 22.33 C ATOM 332 CG2 VAL A 25 8.474 32.575 -13.613 1.00 30.23 C ATOM 0 H VAL A 25 5.900 32.039 -13.564 1.00 71.15 H new ATOM 0 HA VAL A 25 6.784 34.558 -12.777 1.00 43.02 H new ATOM 0 HB VAL A 25 7.319 33.014 -15.349 1.00 23.44 H new ATOM 0 HG11 VAL A 25 9.397 34.325 -15.474 1.00 22.33 H new ATOM 0 HG12 VAL A 25 7.954 35.362 -15.574 1.00 22.33 H new ATOM 0 HG13 VAL A 25 8.882 35.271 -14.057 1.00 22.33 H new ATOM 0 HG21 VAL A 25 9.336 32.222 -14.179 1.00 30.23 H new ATOM 0 HG22 VAL A 25 8.816 33.080 -12.710 1.00 30.23 H new ATOM 0 HG23 VAL A 25 7.847 31.726 -13.339 1.00 30.23 H new ATOM 342 N ILE A 26 4.634 34.579 -15.211 1.00 22.12 N ATOM 343 CA ILE A 26 3.823 35.429 -16.073 1.00 73.44 C ATOM 344 C ILE A 26 2.873 36.296 -15.254 1.00 50.15 C ATOM 345 O ILE A 26 2.931 37.524 -15.315 1.00 20.33 O ATOM 346 CB ILE A 26 3.003 34.594 -17.075 1.00 51.23 C ATOM 347 CG1 ILE A 26 3.909 33.604 -17.809 1.00 62.33 C ATOM 348 CG2 ILE A 26 2.292 35.504 -18.066 1.00 10.33 C ATOM 349 CD1 ILE A 26 3.172 32.732 -18.802 1.00 24.44 C ATOM 0 H ILE A 26 4.324 33.609 -15.163 1.00 22.12 H new ATOM 0 HA ILE A 26 4.512 36.070 -16.623 1.00 73.44 H new ATOM 0 HB ILE A 26 2.250 34.030 -16.524 1.00 51.23 H new ATOM 0 HG12 ILE A 26 4.689 34.157 -18.332 1.00 62.33 H new ATOM 0 HG13 ILE A 26 4.406 32.967 -17.077 1.00 62.33 H new ATOM 0 HG21 ILE A 26 1.717 34.899 -18.767 1.00 10.33 H new ATOM 0 HG22 ILE A 26 1.620 36.173 -17.528 1.00 10.33 H new ATOM 0 HG23 ILE A 26 3.029 36.092 -18.613 1.00 10.33 H new ATOM 0 HD11 ILE A 26 3.877 32.055 -19.285 1.00 24.44 H new ATOM 0 HD12 ILE A 26 2.410 32.152 -18.281 1.00 24.44 H new ATOM 0 HD13 ILE A 26 2.698 33.360 -19.556 1.00 24.44 H new ATOM 361 N GLU A 27 2.001 35.649 -14.488 1.00 75.44 N ATOM 362 CA GLU A 27 1.039 36.362 -13.656 1.00 71.12 C ATOM 363 C GLU A 27 1.742 37.381 -12.764 1.00 31.22 C ATOM 364 O GLU A 27 1.377 38.556 -12.739 1.00 21.22 O ATOM 365 CB GLU A 27 0.245 35.376 -12.796 1.00 50.33 C ATOM 366 CG GLU A 27 -1.169 35.840 -12.487 1.00 64.21 C ATOM 367 CD GLU A 27 -2.156 35.467 -13.576 1.00 31.13 C ATOM 368 OE1 GLU A 27 -1.733 34.841 -14.570 1.00 72.22 O ATOM 369 OE2 GLU A 27 -3.351 35.801 -13.434 1.00 2.03 O ATOM 0 H GLU A 27 1.941 34.633 -14.426 1.00 75.44 H new ATOM 0 HA GLU A 27 0.352 36.894 -14.314 1.00 71.12 H new ATOM 0 HB2 GLU A 27 0.199 34.415 -13.308 1.00 50.33 H new ATOM 0 HB3 GLU A 27 0.778 35.213 -11.859 1.00 50.33 H new ATOM 0 HG2 GLU A 27 -1.493 35.402 -11.543 1.00 64.21 H new ATOM 0 HG3 GLU A 27 -1.172 36.922 -12.354 1.00 64.21 H new ATOM 376 N MET A 28 2.752 36.921 -12.032 1.00 74.33 N ATOM 377 CA MET A 28 3.506 37.792 -11.139 1.00 24.43 C ATOM 378 C MET A 28 4.102 38.970 -11.903 1.00 14.02 C ATOM 379 O MET A 28 4.012 40.116 -11.462 1.00 45.15 O ATOM 380 CB MET A 28 4.620 37.004 -10.445 1.00 15.34 C ATOM 381 CG MET A 28 5.620 37.884 -9.712 1.00 34.45 C ATOM 382 SD MET A 28 6.561 36.978 -8.469 1.00 21.30 S ATOM 383 CE MET A 28 7.522 35.879 -9.507 1.00 45.30 C ATOM 0 H MET A 28 3.066 35.951 -12.040 1.00 74.33 H new ATOM 0 HA MET A 28 2.820 38.180 -10.386 1.00 24.43 H new ATOM 0 HB2 MET A 28 4.173 36.307 -9.736 1.00 15.34 H new ATOM 0 HB3 MET A 28 5.149 36.408 -11.188 1.00 15.34 H new ATOM 0 HG2 MET A 28 6.308 38.324 -10.434 1.00 34.45 H new ATOM 0 HG3 MET A 28 5.091 38.708 -9.233 1.00 34.45 H new ATOM 0 HE1 MET A 28 8.208 35.301 -8.888 1.00 45.30 H new ATOM 0 HE2 MET A 28 6.853 35.201 -10.037 1.00 45.30 H new ATOM 0 HE3 MET A 28 8.091 36.465 -10.229 1.00 45.30 H new ATOM 393 N SER A 29 4.709 38.680 -13.049 1.00 53.43 N ATOM 394 CA SER A 29 5.322 39.716 -13.872 1.00 42.13 C ATOM 395 C SER A 29 4.282 40.736 -14.326 1.00 44.20 C ATOM 396 O SER A 29 4.621 41.858 -14.703 1.00 13.22 O ATOM 397 CB SER A 29 6.006 39.091 -15.090 1.00 55.31 C ATOM 398 OG SER A 29 6.170 40.043 -16.127 1.00 5.43 O ATOM 0 H SER A 29 4.790 37.737 -13.429 1.00 53.43 H new ATOM 0 HA SER A 29 6.070 40.230 -13.268 1.00 42.13 H new ATOM 0 HB2 SER A 29 6.978 38.693 -14.800 1.00 55.31 H new ATOM 0 HB3 SER A 29 5.413 38.252 -15.453 1.00 55.31 H new ATOM 0 HG SER A 29 6.611 39.620 -16.893 1.00 5.43 H new ATOM 404 N SER A 30 3.015 40.337 -14.287 1.00 0.51 N ATOM 405 CA SER A 30 1.925 41.214 -14.697 1.00 53.54 C ATOM 406 C SER A 30 1.696 42.316 -13.667 1.00 22.02 C ATOM 407 O SER A 30 1.769 43.504 -13.983 1.00 24.30 O ATOM 408 CB SER A 30 0.639 40.408 -14.892 1.00 43.24 C ATOM 409 OG SER A 30 0.013 40.736 -16.121 1.00 22.33 O ATOM 0 H SER A 30 2.718 39.412 -13.976 1.00 0.51 H new ATOM 0 HA SER A 30 2.202 41.678 -15.644 1.00 53.54 H new ATOM 0 HB2 SER A 30 0.867 39.342 -14.869 1.00 43.24 H new ATOM 0 HB3 SER A 30 -0.046 40.605 -14.067 1.00 43.24 H new ATOM 0 HG SER A 30 -0.805 40.207 -16.223 1.00 22.33 H new ATOM 415 N LYS A 31 1.419 41.913 -12.431 1.00 54.24 N ATOM 416 CA LYS A 31 1.180 42.864 -11.352 1.00 30.43 C ATOM 417 C LYS A 31 2.418 43.011 -10.473 1.00 30.42 C ATOM 418 O LYS A 31 2.317 43.354 -9.295 1.00 13.13 O ATOM 419 CB LYS A 31 -0.011 42.414 -10.502 1.00 60.35 C ATOM 420 CG LYS A 31 0.252 41.145 -9.710 1.00 73.44 C ATOM 421 CD LYS A 31 -1.005 40.301 -9.577 1.00 23.43 C ATOM 422 CE LYS A 31 -0.700 38.819 -9.735 1.00 73.21 C ATOM 423 NZ LYS A 31 -1.871 37.971 -9.378 1.00 72.33 N ATOM 0 H LYS A 31 1.355 40.934 -12.152 1.00 54.24 H new ATOM 0 HA LYS A 31 0.955 43.833 -11.798 1.00 30.43 H new ATOM 0 HB2 LYS A 31 -0.277 43.215 -9.812 1.00 60.35 H new ATOM 0 HB3 LYS A 31 -0.871 42.255 -11.152 1.00 60.35 H new ATOM 0 HG2 LYS A 31 1.032 40.563 -10.201 1.00 73.44 H new ATOM 0 HG3 LYS A 31 0.624 41.404 -8.719 1.00 73.44 H new ATOM 0 HD2 LYS A 31 -1.462 40.478 -8.603 1.00 23.43 H new ATOM 0 HD3 LYS A 31 -1.731 40.607 -10.330 1.00 23.43 H new ATOM 0 HE2 LYS A 31 -0.405 38.617 -10.765 1.00 73.21 H new ATOM 0 HE3 LYS A 31 0.147 38.553 -9.103 1.00 73.21 H new ATOM 0 HZ1 LYS A 31 -1.623 36.968 -9.499 1.00 72.33 H new ATOM 0 HZ2 LYS A 31 -2.137 38.145 -8.388 1.00 72.33 H new ATOM 0 HZ3 LYS A 31 -2.672 38.207 -9.998 1.00 72.33 H new ATOM 437 N ILE A 32 3.584 42.750 -11.053 1.00 64.12 N ATOM 438 CA ILE A 32 4.841 42.856 -10.323 1.00 2.03 C ATOM 439 C ILE A 32 5.068 44.279 -9.823 1.00 31.44 C ATOM 440 O ILE A 32 5.509 44.486 -8.693 1.00 10.24 O ATOM 441 CB ILE A 32 6.037 42.434 -11.196 1.00 45.33 C ATOM 442 CG1 ILE A 32 7.346 42.592 -10.418 1.00 54.15 C ATOM 443 CG2 ILE A 32 6.074 43.255 -12.477 1.00 11.34 C ATOM 444 CD1 ILE A 32 7.410 41.745 -9.167 1.00 2.23 C ATOM 0 H ILE A 32 3.685 42.463 -12.027 1.00 64.12 H new ATOM 0 HA ILE A 32 4.768 42.181 -9.470 1.00 2.03 H new ATOM 0 HB ILE A 32 5.920 41.384 -11.463 1.00 45.33 H new ATOM 0 HG12 ILE A 32 8.180 42.329 -11.068 1.00 54.15 H new ATOM 0 HG13 ILE A 32 7.473 43.640 -10.145 1.00 54.15 H new ATOM 0 HG21 ILE A 32 6.925 42.945 -13.083 1.00 11.34 H new ATOM 0 HG22 ILE A 32 5.152 43.097 -13.037 1.00 11.34 H new ATOM 0 HG23 ILE A 32 6.171 44.312 -12.229 1.00 11.34 H new ATOM 0 HD11 ILE A 32 8.365 41.907 -8.666 1.00 2.23 H new ATOM 0 HD12 ILE A 32 6.597 42.024 -8.497 1.00 2.23 H new ATOM 0 HD13 ILE A 32 7.315 40.693 -9.435 1.00 2.23 H new ATOM 456 N GLN A 33 4.761 45.254 -10.671 1.00 43.44 N ATOM 457 CA GLN A 33 4.931 46.658 -10.314 1.00 72.15 C ATOM 458 C GLN A 33 4.090 47.014 -9.093 1.00 3.23 C ATOM 459 O GLN A 33 4.607 47.413 -8.049 1.00 14.23 O ATOM 460 CB GLN A 33 4.546 47.555 -11.492 1.00 43.40 C ATOM 461 CG GLN A 33 5.741 48.084 -12.269 1.00 51.05 C ATOM 462 CD GLN A 33 5.514 48.071 -13.768 1.00 60.23 C ATOM 463 OE1 GLN A 33 4.854 48.955 -14.316 1.00 21.53 O ATOM 464 NE2 GLN A 33 6.061 47.065 -14.441 1.00 44.43 N ATOM 0 H GLN A 33 4.393 45.099 -11.610 1.00 43.44 H new ATOM 0 HA GLN A 33 5.981 46.821 -10.070 1.00 72.15 H new ATOM 0 HB2 GLN A 33 3.902 46.995 -12.169 1.00 43.40 H new ATOM 0 HB3 GLN A 33 3.962 48.398 -11.121 1.00 43.40 H new ATOM 0 HG2 GLN A 33 5.957 49.103 -11.947 1.00 51.05 H new ATOM 0 HG3 GLN A 33 6.619 47.482 -12.033 1.00 51.05 H new ATOM 0 HE21 GLN A 33 6.600 46.354 -13.947 1.00 44.43 H new ATOM 0 HE22 GLN A 33 5.942 47.003 -15.452 1.00 44.43 H new ATOM 473 N PRO A 34 2.763 46.868 -9.224 1.00 4.14 N ATOM 474 CA PRO A 34 1.823 47.169 -8.140 1.00 2.11 C ATOM 475 C PRO A 34 1.919 46.167 -6.994 1.00 42.42 C ATOM 476 O PRO A 34 1.314 46.357 -5.940 1.00 21.35 O ATOM 477 CB PRO A 34 0.455 47.074 -8.820 1.00 64.44 C ATOM 478 CG PRO A 34 0.669 46.156 -9.974 1.00 65.21 C ATOM 479 CD PRO A 34 2.079 46.397 -10.439 1.00 51.13 C ATOM 0 HA PRO A 34 2.022 48.140 -7.686 1.00 2.11 H new ATOM 0 HB2 PRO A 34 -0.300 46.683 -8.138 1.00 64.44 H new ATOM 0 HB3 PRO A 34 0.109 48.053 -9.152 1.00 64.44 H new ATOM 0 HG2 PRO A 34 0.528 45.117 -9.677 1.00 65.21 H new ATOM 0 HG3 PRO A 34 -0.045 46.359 -10.772 1.00 65.21 H new ATOM 0 HD2 PRO A 34 2.534 45.487 -10.829 1.00 51.13 H new ATOM 0 HD3 PRO A 34 2.118 47.140 -11.236 1.00 51.13 H new ATOM 487 N ALA A 35 2.684 45.102 -7.209 1.00 32.35 N ATOM 488 CA ALA A 35 2.861 44.072 -6.192 1.00 72.35 C ATOM 489 C ALA A 35 3.191 44.688 -4.837 1.00 43.25 C ATOM 490 O ALA A 35 4.295 45.183 -4.606 1.00 54.43 O ATOM 491 CB ALA A 35 3.952 43.098 -6.612 1.00 44.51 C ATOM 0 H ALA A 35 3.191 44.930 -8.077 1.00 32.35 H new ATOM 0 HA ALA A 35 1.922 43.528 -6.094 1.00 72.35 H new ATOM 0 HB1 ALA A 35 4.074 42.334 -5.844 1.00 44.51 H new ATOM 0 HB2 ALA A 35 3.674 42.624 -7.554 1.00 44.51 H new ATOM 0 HB3 ALA A 35 4.891 43.637 -6.740 1.00 44.51 H new ATOM 497 N PRO A 36 2.214 44.660 -3.919 1.00 61.52 N ATOM 498 CA PRO A 36 2.378 45.212 -2.571 1.00 61.22 C ATOM 499 C PRO A 36 3.337 44.387 -1.719 1.00 73.24 C ATOM 500 O PRO A 36 3.719 43.272 -2.075 1.00 71.21 O ATOM 501 CB PRO A 36 0.963 45.156 -1.990 1.00 70.53 C ATOM 502 CG PRO A 36 0.289 44.060 -2.741 1.00 74.30 C ATOM 503 CD PRO A 36 0.874 44.085 -4.126 1.00 0.11 C ATOM 0 HA PRO A 36 2.806 46.214 -2.591 1.00 61.22 H new ATOM 0 HB2 PRO A 36 0.982 44.949 -0.920 1.00 70.53 H new ATOM 0 HB3 PRO A 36 0.443 46.105 -2.122 1.00 70.53 H new ATOM 0 HG2 PRO A 36 0.461 43.096 -2.262 1.00 74.30 H new ATOM 0 HG3 PRO A 36 -0.790 44.213 -2.770 1.00 74.30 H new ATOM 0 HD2 PRO A 36 0.928 43.086 -4.558 1.00 0.11 H new ATOM 0 HD3 PRO A 36 0.276 44.694 -4.804 1.00 0.11 H new ATOM 511 N PRO A 37 3.736 44.945 -0.567 1.00 14.02 N ATOM 512 CA PRO A 37 4.654 44.277 0.360 1.00 1.10 C ATOM 513 C PRO A 37 4.012 43.078 1.049 1.00 12.24 C ATOM 514 O PRO A 37 4.706 42.207 1.573 1.00 52.23 O ATOM 515 CB PRO A 37 4.983 45.369 1.382 1.00 72.43 C ATOM 516 CG PRO A 37 3.813 46.290 1.341 1.00 42.30 C ATOM 517 CD PRO A 37 3.320 46.271 -0.079 1.00 40.04 C ATOM 0 HA PRO A 37 5.529 43.875 -0.151 1.00 1.10 H new ATOM 0 HB2 PRO A 37 5.122 44.950 2.378 1.00 72.43 H new ATOM 0 HB3 PRO A 37 5.905 45.889 1.123 1.00 72.43 H new ATOM 0 HG2 PRO A 37 3.034 45.962 2.029 1.00 42.30 H new ATOM 0 HG3 PRO A 37 4.099 47.298 1.641 1.00 42.30 H new ATOM 0 HD2 PRO A 37 2.239 46.397 -0.131 1.00 40.04 H new ATOM 0 HD3 PRO A 37 3.763 47.073 -0.669 1.00 40.04 H new ATOM 525 N GLU A 38 2.683 43.041 1.045 1.00 30.40 N ATOM 526 CA GLU A 38 1.948 41.947 1.671 1.00 44.50 C ATOM 527 C GLU A 38 1.788 40.776 0.706 1.00 44.43 C ATOM 528 O GLU A 38 1.685 39.624 1.124 1.00 10.04 O ATOM 529 CB GLU A 38 0.573 42.429 2.138 1.00 42.20 C ATOM 530 CG GLU A 38 0.149 41.853 3.479 1.00 43.05 C ATOM 531 CD GLU A 38 0.280 42.853 4.611 1.00 52.11 C ATOM 532 OE1 GLU A 38 1.394 42.990 5.157 1.00 22.42 O ATOM 533 OE2 GLU A 38 -0.734 43.500 4.950 1.00 25.52 O ATOM 0 H GLU A 38 2.094 43.755 0.616 1.00 30.40 H new ATOM 0 HA GLU A 38 2.519 41.607 2.535 1.00 44.50 H new ATOM 0 HB2 GLU A 38 0.583 43.517 2.206 1.00 42.20 H new ATOM 0 HB3 GLU A 38 -0.170 42.163 1.386 1.00 42.20 H new ATOM 0 HG2 GLU A 38 -0.886 41.516 3.415 1.00 43.05 H new ATOM 0 HG3 GLU A 38 0.757 40.976 3.702 1.00 43.05 H new ATOM 540 N GLU A 39 1.769 41.082 -0.588 1.00 35.10 N ATOM 541 CA GLU A 39 1.620 40.055 -1.612 1.00 53.05 C ATOM 542 C GLU A 39 2.980 39.516 -2.044 1.00 24.52 C ATOM 543 O GLU A 39 3.072 38.456 -2.664 1.00 51.04 O ATOM 544 CB GLU A 39 0.874 40.617 -2.825 1.00 31.23 C ATOM 545 CG GLU A 39 0.382 39.548 -3.786 1.00 63.20 C ATOM 546 CD GLU A 39 -0.941 38.943 -3.359 1.00 21.12 C ATOM 547 OE1 GLU A 39 -0.954 38.182 -2.368 1.00 51.55 O ATOM 548 OE2 GLU A 39 -1.964 39.231 -4.015 1.00 64.34 O ATOM 0 H GLU A 39 1.855 42.031 -0.951 1.00 35.10 H new ATOM 0 HA GLU A 39 1.042 39.235 -1.186 1.00 53.05 H new ATOM 0 HB2 GLU A 39 0.022 41.202 -2.478 1.00 31.23 H new ATOM 0 HB3 GLU A 39 1.532 41.300 -3.361 1.00 31.23 H new ATOM 0 HG2 GLU A 39 0.275 39.981 -4.781 1.00 63.20 H new ATOM 0 HG3 GLU A 39 1.131 38.759 -3.860 1.00 63.20 H new ATOM 555 N TYR A 40 4.034 40.252 -1.711 1.00 45.22 N ATOM 556 CA TYR A 40 5.390 39.850 -2.066 1.00 44.43 C ATOM 557 C TYR A 40 5.897 38.757 -1.130 1.00 43.35 C ATOM 558 O TYR A 40 6.650 37.873 -1.540 1.00 32.03 O ATOM 559 CB TYR A 40 6.331 41.056 -2.018 1.00 21.53 C ATOM 560 CG TYR A 40 7.129 41.252 -3.287 1.00 1.32 C ATOM 561 CD1 TYR A 40 6.495 41.372 -4.518 1.00 3.04 C ATOM 562 CD2 TYR A 40 8.517 41.317 -3.256 1.00 14.54 C ATOM 563 CE1 TYR A 40 7.220 41.551 -5.680 1.00 1.21 C ATOM 564 CE2 TYR A 40 9.249 41.498 -4.413 1.00 24.04 C ATOM 565 CZ TYR A 40 8.597 41.614 -5.622 1.00 52.02 C ATOM 566 OH TYR A 40 9.323 41.792 -6.777 1.00 43.51 O ATOM 0 H TYR A 40 3.976 41.130 -1.196 1.00 45.22 H new ATOM 0 HA TYR A 40 5.370 39.453 -3.081 1.00 44.43 H new ATOM 0 HB2 TYR A 40 5.746 41.955 -1.824 1.00 21.53 H new ATOM 0 HB3 TYR A 40 7.019 40.936 -1.181 1.00 21.53 H new ATOM 0 HD1 TYR A 40 5.417 41.324 -4.567 1.00 3.04 H new ATOM 0 HD2 TYR A 40 9.032 41.224 -2.311 1.00 14.54 H new ATOM 0 HE1 TYR A 40 6.712 41.641 -6.629 1.00 1.21 H new ATOM 0 HE2 TYR A 40 10.327 41.548 -4.371 1.00 24.04 H new ATOM 0 HH TYR A 40 10.236 42.068 -6.550 1.00 43.51 H new ATOM 576 N VAL A 41 5.479 38.825 0.129 1.00 34.33 N ATOM 577 CA VAL A 41 5.888 37.841 1.125 1.00 75.14 C ATOM 578 C VAL A 41 5.637 36.421 0.629 1.00 10.11 C ATOM 579 O VAL A 41 6.547 35.596 0.548 1.00 71.31 O ATOM 580 CB VAL A 41 5.142 38.047 2.457 1.00 63.03 C ATOM 581 CG1 VAL A 41 4.958 36.720 3.176 1.00 35.33 C ATOM 582 CG2 VAL A 41 5.888 39.040 3.336 1.00 54.14 C ATOM 0 H VAL A 41 4.857 39.551 0.484 1.00 34.33 H new ATOM 0 HA VAL A 41 6.956 37.982 1.290 1.00 75.14 H new ATOM 0 HB VAL A 41 4.155 38.456 2.242 1.00 63.03 H new ATOM 0 HG11 VAL A 41 4.429 36.885 4.115 1.00 35.33 H new ATOM 0 HG12 VAL A 41 4.379 36.043 2.548 1.00 35.33 H new ATOM 0 HG13 VAL A 41 5.933 36.279 3.382 1.00 35.33 H new ATOM 0 HG21 VAL A 41 5.348 39.174 4.273 1.00 54.14 H new ATOM 0 HG22 VAL A 41 6.888 38.661 3.545 1.00 54.14 H new ATOM 0 HG23 VAL A 41 5.963 39.997 2.820 1.00 54.14 H new ATOM 592 N PRO A 42 4.373 36.128 0.289 1.00 62.43 N ATOM 593 CA PRO A 42 3.973 34.807 -0.206 1.00 50.12 C ATOM 594 C PRO A 42 4.519 34.521 -1.601 1.00 32.20 C ATOM 595 O PRO A 42 4.826 33.377 -1.935 1.00 34.24 O ATOM 596 CB PRO A 42 2.445 34.888 -0.236 1.00 73.32 C ATOM 597 CG PRO A 42 2.145 36.340 -0.378 1.00 13.12 C ATOM 598 CD PRO A 42 3.238 37.063 0.360 1.00 32.51 C ATOM 0 HA PRO A 42 4.359 34.003 0.420 1.00 50.12 H new ATOM 0 HB2 PRO A 42 2.035 34.316 -1.068 1.00 73.32 H new ATOM 0 HB3 PRO A 42 2.009 34.481 0.676 1.00 73.32 H new ATOM 0 HG2 PRO A 42 2.123 36.633 -1.428 1.00 13.12 H new ATOM 0 HG3 PRO A 42 1.167 36.579 0.040 1.00 13.12 H new ATOM 0 HD2 PRO A 42 3.475 38.019 -0.108 1.00 32.51 H new ATOM 0 HD3 PRO A 42 2.955 37.274 1.391 1.00 32.51 H new ATOM 606 N MET A 43 4.637 35.568 -2.411 1.00 65.52 N ATOM 607 CA MET A 43 5.148 35.428 -3.770 1.00 23.40 C ATOM 608 C MET A 43 6.478 34.679 -3.777 1.00 14.54 C ATOM 609 O MET A 43 6.685 33.768 -4.578 1.00 55.21 O ATOM 610 CB MET A 43 5.321 36.803 -4.417 1.00 54.11 C ATOM 611 CG MET A 43 4.559 36.960 -5.723 1.00 51.01 C ATOM 612 SD MET A 43 2.786 37.174 -5.472 1.00 22.11 S ATOM 613 CE MET A 43 2.568 38.865 -6.022 1.00 31.53 C ATOM 0 H MET A 43 4.386 36.522 -2.150 1.00 65.52 H new ATOM 0 HA MET A 43 4.424 34.852 -4.346 1.00 23.40 H new ATOM 0 HB2 MET A 43 4.988 37.569 -3.717 1.00 54.11 H new ATOM 0 HB3 MET A 43 6.381 36.978 -4.601 1.00 54.11 H new ATOM 0 HG2 MET A 43 4.951 37.819 -6.267 1.00 51.01 H new ATOM 0 HG3 MET A 43 4.730 36.083 -6.347 1.00 51.01 H new ATOM 0 HE1 MET A 43 1.535 39.016 -6.334 1.00 31.53 H new ATOM 0 HE2 MET A 43 2.803 39.547 -5.205 1.00 31.53 H new ATOM 0 HE3 MET A 43 3.233 39.063 -6.862 1.00 31.53 H new ATOM 623 N VAL A 44 7.376 35.071 -2.879 1.00 23.55 N ATOM 624 CA VAL A 44 8.685 34.436 -2.781 1.00 4.23 C ATOM 625 C VAL A 44 8.553 32.945 -2.495 1.00 24.44 C ATOM 626 O VAL A 44 9.236 32.121 -3.104 1.00 42.11 O ATOM 627 CB VAL A 44 9.543 35.085 -1.678 1.00 13.41 C ATOM 628 CG1 VAL A 44 10.932 34.468 -1.649 1.00 24.45 C ATOM 629 CG2 VAL A 44 9.624 36.590 -1.883 1.00 55.53 C ATOM 0 H VAL A 44 7.221 35.825 -2.209 1.00 23.55 H new ATOM 0 HA VAL A 44 9.177 34.576 -3.744 1.00 4.23 H new ATOM 0 HB VAL A 44 9.068 34.897 -0.715 1.00 13.41 H new ATOM 0 HG11 VAL A 44 11.523 34.939 -0.864 1.00 24.45 H new ATOM 0 HG12 VAL A 44 10.851 33.399 -1.451 1.00 24.45 H new ATOM 0 HG13 VAL A 44 11.419 34.623 -2.612 1.00 24.45 H new ATOM 0 HG21 VAL A 44 10.234 37.032 -1.095 1.00 55.53 H new ATOM 0 HG22 VAL A 44 10.075 36.801 -2.853 1.00 55.53 H new ATOM 0 HG23 VAL A 44 8.621 37.016 -1.848 1.00 55.53 H new ATOM 639 N LYS A 45 7.670 32.602 -1.563 1.00 53.52 N ATOM 640 CA LYS A 45 7.445 31.209 -1.196 1.00 1.41 C ATOM 641 C LYS A 45 7.168 30.359 -2.431 1.00 61.24 C ATOM 642 O LYS A 45 7.593 29.207 -2.510 1.00 35.51 O ATOM 643 CB LYS A 45 6.274 31.101 -0.216 1.00 44.22 C ATOM 644 CG LYS A 45 6.686 30.657 1.177 1.00 50.42 C ATOM 645 CD LYS A 45 7.085 31.840 2.044 1.00 62.14 C ATOM 646 CE LYS A 45 8.420 31.600 2.733 1.00 54.30 C ATOM 647 NZ LYS A 45 8.465 32.222 4.085 1.00 12.04 N ATOM 0 H LYS A 45 7.098 33.271 -1.048 1.00 53.52 H new ATOM 0 HA LYS A 45 8.349 30.836 -0.715 1.00 1.41 H new ATOM 0 HB2 LYS A 45 5.778 32.069 -0.148 1.00 44.22 H new ATOM 0 HB3 LYS A 45 5.544 30.396 -0.612 1.00 44.22 H new ATOM 0 HG2 LYS A 45 5.862 30.121 1.648 1.00 50.42 H new ATOM 0 HG3 LYS A 45 7.520 29.959 1.106 1.00 50.42 H new ATOM 0 HD2 LYS A 45 7.148 32.738 1.430 1.00 62.14 H new ATOM 0 HD3 LYS A 45 6.314 32.020 2.794 1.00 62.14 H new ATOM 0 HE2 LYS A 45 8.596 30.528 2.820 1.00 54.30 H new ATOM 0 HE3 LYS A 45 9.224 32.006 2.119 1.00 54.30 H new ATOM 0 HZ1 LYS A 45 9.390 32.036 4.522 1.00 12.04 H new ATOM 0 HZ2 LYS A 45 8.322 33.249 4.000 1.00 12.04 H new ATOM 0 HZ3 LYS A 45 7.714 31.816 4.679 1.00 12.04 H new ATOM 661 N GLU A 46 6.455 30.936 -3.394 1.00 21.42 N ATOM 662 CA GLU A 46 6.123 30.229 -4.625 1.00 41.14 C ATOM 663 C GLU A 46 7.379 29.938 -5.441 1.00 64.12 C ATOM 664 O GLU A 46 7.609 28.805 -5.866 1.00 53.53 O ATOM 665 CB GLU A 46 5.138 31.050 -5.461 1.00 21.23 C ATOM 666 CG GLU A 46 3.834 31.352 -4.741 1.00 63.24 C ATOM 667 CD GLU A 46 2.803 30.255 -4.919 1.00 35.33 C ATOM 668 OE1 GLU A 46 3.113 29.251 -5.593 1.00 71.03 O ATOM 669 OE2 GLU A 46 1.684 30.401 -4.382 1.00 23.41 O ATOM 0 H GLU A 46 6.097 31.890 -3.345 1.00 21.42 H new ATOM 0 HA GLU A 46 5.658 29.281 -4.355 1.00 41.14 H new ATOM 0 HB2 GLU A 46 5.612 31.989 -5.747 1.00 21.23 H new ATOM 0 HB3 GLU A 46 4.918 30.510 -6.382 1.00 21.23 H new ATOM 0 HG2 GLU A 46 4.033 31.489 -3.678 1.00 63.24 H new ATOM 0 HG3 GLU A 46 3.427 32.292 -5.113 1.00 63.24 H new ATOM 676 N VAL A 47 8.190 30.969 -5.657 1.00 2.04 N ATOM 677 CA VAL A 47 9.424 30.825 -6.421 1.00 14.13 C ATOM 678 C VAL A 47 10.396 29.881 -5.722 1.00 52.22 C ATOM 679 O VAL A 47 10.986 29.004 -6.351 1.00 73.22 O ATOM 680 CB VAL A 47 10.112 32.186 -6.637 1.00 21.13 C ATOM 681 CG1 VAL A 47 11.268 32.050 -7.617 1.00 14.45 C ATOM 682 CG2 VAL A 47 9.108 33.219 -7.124 1.00 13.44 C ATOM 0 H VAL A 47 8.015 31.913 -5.314 1.00 2.04 H new ATOM 0 HA VAL A 47 9.150 30.407 -7.390 1.00 14.13 H new ATOM 0 HB VAL A 47 10.514 32.526 -5.683 1.00 21.13 H new ATOM 0 HG11 VAL A 47 11.742 33.021 -7.757 1.00 14.45 H new ATOM 0 HG12 VAL A 47 11.998 31.343 -7.223 1.00 14.45 H new ATOM 0 HG13 VAL A 47 10.893 31.688 -8.574 1.00 14.45 H new ATOM 0 HG21 VAL A 47 9.611 34.174 -7.271 1.00 13.44 H new ATOM 0 HG22 VAL A 47 8.674 32.888 -8.068 1.00 13.44 H new ATOM 0 HG23 VAL A 47 8.318 33.336 -6.383 1.00 13.44 H new ATOM 692 N GLY A 48 10.558 30.068 -4.416 1.00 32.43 N ATOM 693 CA GLY A 48 11.460 29.225 -3.652 1.00 75.23 C ATOM 694 C GLY A 48 11.146 27.750 -3.808 1.00 63.13 C ATOM 695 O GLY A 48 12.050 26.913 -3.811 1.00 74.51 O ATOM 0 H GLY A 48 10.081 30.788 -3.873 1.00 32.43 H new ATOM 0 HA2 GLY A 48 12.485 29.411 -3.972 1.00 75.23 H new ATOM 0 HA3 GLY A 48 11.401 29.496 -2.598 1.00 75.23 H new ATOM 699 N LEU A 49 9.863 27.430 -3.937 1.00 25.32 N ATOM 700 CA LEU A 49 9.432 26.045 -4.092 1.00 65.33 C ATOM 701 C LEU A 49 9.824 25.503 -5.463 1.00 41.24 C ATOM 702 O LEU A 49 10.206 24.341 -5.597 1.00 32.02 O ATOM 703 CB LEU A 49 7.919 25.937 -3.902 1.00 75.41 C ATOM 704 CG LEU A 49 7.379 24.540 -3.590 1.00 42.23 C ATOM 705 CD1 LEU A 49 6.373 24.599 -2.452 1.00 35.32 C ATOM 706 CD2 LEU A 49 6.750 23.922 -4.830 1.00 55.53 C ATOM 0 H LEU A 49 9.103 28.111 -3.937 1.00 25.32 H new ATOM 0 HA LEU A 49 9.931 25.447 -3.329 1.00 65.33 H new ATOM 0 HB2 LEU A 49 7.626 26.607 -3.094 1.00 75.41 H new ATOM 0 HB3 LEU A 49 7.433 26.299 -4.808 1.00 75.41 H new ATOM 0 HG LEU A 49 8.212 23.910 -3.278 1.00 42.23 H new ATOM 0 HD11 LEU A 49 6.000 23.596 -2.244 1.00 35.32 H new ATOM 0 HD12 LEU A 49 6.856 24.999 -1.560 1.00 35.32 H new ATOM 0 HD13 LEU A 49 5.541 25.244 -2.735 1.00 35.32 H new ATOM 0 HD21 LEU A 49 6.371 22.929 -4.589 1.00 55.53 H new ATOM 0 HD22 LEU A 49 5.928 24.550 -5.173 1.00 55.53 H new ATOM 0 HD23 LEU A 49 7.499 23.844 -5.618 1.00 55.53 H new ATOM 718 N ALA A 50 9.729 26.355 -6.479 1.00 73.44 N ATOM 719 CA ALA A 50 10.077 25.963 -7.840 1.00 21.14 C ATOM 720 C ALA A 50 11.540 25.542 -7.932 1.00 33.30 C ATOM 721 O ALA A 50 11.853 24.450 -8.410 1.00 2.44 O ATOM 722 CB ALA A 50 9.792 27.103 -8.806 1.00 70.34 C ATOM 0 H ALA A 50 9.414 27.321 -6.386 1.00 73.44 H new ATOM 0 HA ALA A 50 9.461 25.106 -8.115 1.00 21.14 H new ATOM 0 HB1 ALA A 50 10.056 26.797 -9.818 1.00 70.34 H new ATOM 0 HB2 ALA A 50 8.732 27.356 -8.768 1.00 70.34 H new ATOM 0 HB3 ALA A 50 10.383 27.975 -8.525 1.00 70.34 H new ATOM 728 N LEU A 51 12.431 26.413 -7.473 1.00 65.12 N ATOM 729 CA LEU A 51 13.863 26.131 -7.505 1.00 15.34 C ATOM 730 C LEU A 51 14.203 24.940 -6.615 1.00 73.32 C ATOM 731 O LEU A 51 14.844 23.986 -7.057 1.00 11.03 O ATOM 732 CB LEU A 51 14.654 27.360 -7.055 1.00 2.51 C ATOM 733 CG LEU A 51 14.198 28.701 -7.632 1.00 34.12 C ATOM 734 CD1 LEU A 51 13.793 29.652 -6.516 1.00 74.03 C ATOM 735 CD2 LEU A 51 15.296 29.316 -8.487 1.00 22.43 C ATOM 0 H LEU A 51 12.188 27.320 -7.074 1.00 65.12 H new ATOM 0 HA LEU A 51 14.137 25.885 -8.531 1.00 15.34 H new ATOM 0 HB2 LEU A 51 14.606 27.420 -5.968 1.00 2.51 H new ATOM 0 HB3 LEU A 51 15.701 27.210 -7.320 1.00 2.51 H new ATOM 0 HG LEU A 51 13.329 28.525 -8.265 1.00 34.12 H new ATOM 0 HD11 LEU A 51 13.471 30.601 -6.945 1.00 74.03 H new ATOM 0 HD12 LEU A 51 12.973 29.215 -5.946 1.00 74.03 H new ATOM 0 HD13 LEU A 51 14.644 29.822 -5.856 1.00 74.03 H new ATOM 0 HD21 LEU A 51 14.953 30.269 -8.889 1.00 22.43 H new ATOM 0 HD22 LEU A 51 16.185 29.478 -7.877 1.00 22.43 H new ATOM 0 HD23 LEU A 51 15.538 28.642 -9.309 1.00 22.43 H new ATOM 747 N ARG A 52 13.767 25.001 -5.361 1.00 63.30 N ATOM 748 CA ARG A 52 14.025 23.926 -4.410 1.00 12.32 C ATOM 749 C ARG A 52 13.536 22.588 -4.956 1.00 33.03 C ATOM 750 O ARG A 52 14.294 21.621 -5.032 1.00 24.11 O ATOM 751 CB ARG A 52 13.342 24.225 -3.074 1.00 31.42 C ATOM 752 CG ARG A 52 13.821 23.340 -1.934 1.00 53.22 C ATOM 753 CD ARG A 52 12.812 23.302 -0.797 1.00 1.53 C ATOM 754 NE ARG A 52 13.432 22.929 0.472 1.00 13.51 N ATOM 755 CZ ARG A 52 13.833 21.696 0.759 1.00 10.25 C ATOM 756 NH1 ARG A 52 13.681 20.722 -0.127 1.00 52.44 N ATOM 757 NH2 ARG A 52 14.388 21.435 1.936 1.00 43.20 N ATOM 0 H ARG A 52 13.234 25.783 -4.980 1.00 63.30 H new ATOM 0 HA ARG A 52 15.102 23.863 -4.254 1.00 12.32 H new ATOM 0 HB2 ARG A 52 13.517 25.268 -2.811 1.00 31.42 H new ATOM 0 HB3 ARG A 52 12.265 24.102 -3.190 1.00 31.42 H new ATOM 0 HG2 ARG A 52 13.992 22.329 -2.304 1.00 53.22 H new ATOM 0 HG3 ARG A 52 14.777 23.709 -1.562 1.00 53.22 H new ATOM 0 HD2 ARG A 52 12.341 24.280 -0.697 1.00 1.53 H new ATOM 0 HD3 ARG A 52 12.022 22.591 -1.037 1.00 1.53 H new ATOM 0 HE ARG A 52 13.564 23.655 1.176 1.00 13.51 H new ATOM 0 HH11 ARG A 52 13.255 20.918 -1.033 1.00 52.44 H new ATOM 0 HH12 ARG A 52 13.990 19.776 0.097 1.00 52.44 H new ATOM 0 HH21 ARG A 52 14.507 22.182 2.621 1.00 43.20 H new ATOM 0 HH22 ARG A 52 14.696 20.488 2.156 1.00 43.20 H new ATOM 771 N THR A 53 12.262 22.539 -5.334 1.00 62.14 N ATOM 772 CA THR A 53 11.671 21.320 -5.871 1.00 60.24 C ATOM 773 C THR A 53 12.362 20.896 -7.162 1.00 40.04 C ATOM 774 O THR A 53 12.585 19.708 -7.398 1.00 60.22 O ATOM 775 CB THR A 53 10.165 21.498 -6.143 1.00 43.10 C ATOM 776 OG1 THR A 53 9.488 21.855 -4.933 1.00 2.40 O ATOM 777 CG2 THR A 53 9.563 20.221 -6.709 1.00 53.23 C ATOM 0 H THR A 53 11.620 23.330 -5.278 1.00 62.14 H new ATOM 0 HA THR A 53 11.808 20.544 -5.117 1.00 60.24 H new ATOM 0 HB THR A 53 10.042 22.295 -6.876 1.00 43.10 H new ATOM 0 HG1 THR A 53 9.525 22.827 -4.812 1.00 2.40 H new ATOM 0 HG21 THR A 53 8.499 20.371 -6.893 1.00 53.23 H new ATOM 0 HG22 THR A 53 10.061 19.968 -7.645 1.00 53.23 H new ATOM 0 HG23 THR A 53 9.697 19.408 -5.995 1.00 53.23 H new ATOM 785 N LEU A 54 12.700 21.874 -7.996 1.00 33.04 N ATOM 786 CA LEU A 54 13.367 21.602 -9.264 1.00 41.10 C ATOM 787 C LEU A 54 14.596 20.723 -9.055 1.00 42.32 C ATOM 788 O LEU A 54 14.842 19.789 -9.819 1.00 73.04 O ATOM 789 CB LEU A 54 13.772 22.913 -9.941 1.00 21.31 C ATOM 790 CG LEU A 54 12.804 23.451 -10.995 1.00 71.11 C ATOM 791 CD1 LEU A 54 13.285 24.792 -11.526 1.00 51.23 C ATOM 792 CD2 LEU A 54 12.644 22.452 -12.131 1.00 75.45 C ATOM 0 H LEU A 54 12.523 22.862 -7.816 1.00 33.04 H new ATOM 0 HA LEU A 54 12.667 21.069 -9.908 1.00 41.10 H new ATOM 0 HB2 LEU A 54 13.897 23.673 -9.170 1.00 21.31 H new ATOM 0 HB3 LEU A 54 14.746 22.771 -10.410 1.00 21.31 H new ATOM 0 HG LEU A 54 11.831 23.597 -10.526 1.00 71.11 H new ATOM 0 HD11 LEU A 54 12.584 25.159 -12.275 1.00 51.23 H new ATOM 0 HD12 LEU A 54 13.347 25.507 -10.706 1.00 51.23 H new ATOM 0 HD13 LEU A 54 14.269 24.672 -11.979 1.00 51.23 H new ATOM 0 HD21 LEU A 54 11.952 22.851 -12.872 1.00 75.45 H new ATOM 0 HD22 LEU A 54 13.613 22.274 -12.598 1.00 75.45 H new ATOM 0 HD23 LEU A 54 12.253 21.514 -11.738 1.00 75.45 H new ATOM 804 N LEU A 55 15.364 21.027 -8.015 1.00 44.30 N ATOM 805 CA LEU A 55 16.568 20.264 -7.703 1.00 73.45 C ATOM 806 C LEU A 55 16.247 18.781 -7.549 1.00 35.54 C ATOM 807 O LEU A 55 16.954 17.924 -8.077 1.00 62.32 O ATOM 808 CB LEU A 55 17.214 20.794 -6.422 1.00 64.55 C ATOM 809 CG LEU A 55 18.492 21.613 -6.605 1.00 43.12 C ATOM 810 CD1 LEU A 55 18.157 23.044 -6.998 1.00 64.54 C ATOM 811 CD2 LEU A 55 19.328 21.589 -5.333 1.00 54.34 C ATOM 0 H LEU A 55 15.175 21.797 -7.373 1.00 44.30 H new ATOM 0 HA LEU A 55 17.268 20.381 -8.530 1.00 73.45 H new ATOM 0 HB2 LEU A 55 16.483 21.410 -5.898 1.00 64.55 H new ATOM 0 HB3 LEU A 55 17.439 19.946 -5.775 1.00 64.55 H new ATOM 0 HG LEU A 55 19.076 21.164 -7.408 1.00 43.12 H new ATOM 0 HD11 LEU A 55 19.079 23.612 -7.124 1.00 64.54 H new ATOM 0 HD12 LEU A 55 17.600 23.043 -7.935 1.00 64.54 H new ATOM 0 HD13 LEU A 55 17.551 23.504 -6.217 1.00 64.54 H new ATOM 0 HD21 LEU A 55 20.234 22.177 -5.482 1.00 54.34 H new ATOM 0 HD22 LEU A 55 18.751 22.012 -4.511 1.00 54.34 H new ATOM 0 HD23 LEU A 55 19.598 20.560 -5.095 1.00 54.34 H new ATOM 823 N ALA A 56 15.174 18.485 -6.822 1.00 55.51 N ATOM 824 CA ALA A 56 14.756 17.106 -6.601 1.00 50.55 C ATOM 825 C ALA A 56 14.147 16.508 -7.865 1.00 42.32 C ATOM 826 O ALA A 56 14.548 15.433 -8.312 1.00 20.24 O ATOM 827 CB ALA A 56 13.764 17.033 -5.450 1.00 4.12 C ATOM 0 H ALA A 56 14.578 19.183 -6.376 1.00 55.51 H new ATOM 0 HA ALA A 56 15.639 16.522 -6.343 1.00 50.55 H new ATOM 0 HB1 ALA A 56 13.461 15.997 -5.296 1.00 4.12 H new ATOM 0 HB2 ALA A 56 14.232 17.413 -4.542 1.00 4.12 H new ATOM 0 HB3 ALA A 56 12.888 17.637 -5.686 1.00 4.12 H new ATOM 833 N THR A 57 13.175 17.211 -8.439 1.00 3.55 N ATOM 834 CA THR A 57 12.510 16.749 -9.650 1.00 12.02 C ATOM 835 C THR A 57 13.522 16.407 -10.737 1.00 21.11 C ATOM 836 O THR A 57 13.472 15.329 -11.329 1.00 72.30 O ATOM 837 CB THR A 57 11.530 17.807 -10.191 1.00 51.12 C ATOM 838 OG1 THR A 57 12.253 18.952 -10.657 1.00 21.21 O ATOM 839 CG2 THR A 57 10.541 18.229 -9.115 1.00 55.15 C ATOM 0 H THR A 57 12.831 18.103 -8.084 1.00 3.55 H new ATOM 0 HA THR A 57 11.953 15.852 -9.382 1.00 12.02 H new ATOM 0 HB THR A 57 10.975 17.366 -11.019 1.00 51.12 H new ATOM 0 HG1 THR A 57 11.690 19.465 -11.274 1.00 21.21 H new ATOM 0 HG21 THR A 57 9.859 18.977 -9.520 1.00 55.15 H new ATOM 0 HG22 THR A 57 9.972 17.361 -8.783 1.00 55.15 H new ATOM 0 HG23 THR A 57 11.082 18.653 -8.269 1.00 55.15 H new ATOM 847 N VAL A 58 14.442 17.331 -10.995 1.00 13.40 N ATOM 848 CA VAL A 58 15.468 17.127 -12.010 1.00 72.53 C ATOM 849 C VAL A 58 16.405 15.988 -11.623 1.00 11.22 C ATOM 850 O VAL A 58 16.751 15.146 -12.452 1.00 5.35 O ATOM 851 CB VAL A 58 16.297 18.405 -12.236 1.00 72.25 C ATOM 852 CG1 VAL A 58 17.382 18.161 -13.275 1.00 14.35 C ATOM 853 CG2 VAL A 58 15.396 19.557 -12.655 1.00 75.42 C ATOM 0 H VAL A 58 14.498 18.229 -10.514 1.00 13.40 H new ATOM 0 HA VAL A 58 14.951 16.870 -12.935 1.00 72.53 H new ATOM 0 HB VAL A 58 16.780 18.675 -11.297 1.00 72.25 H new ATOM 0 HG11 VAL A 58 17.958 19.075 -13.422 1.00 14.35 H new ATOM 0 HG12 VAL A 58 18.044 17.367 -12.930 1.00 14.35 H new ATOM 0 HG13 VAL A 58 16.923 17.866 -14.219 1.00 14.35 H new ATOM 0 HG21 VAL A 58 15.998 20.452 -12.810 1.00 75.42 H new ATOM 0 HG22 VAL A 58 14.883 19.299 -13.582 1.00 75.42 H new ATOM 0 HG23 VAL A 58 14.660 19.746 -11.874 1.00 75.42 H new ATOM 863 N ASP A 59 16.811 15.968 -10.358 1.00 43.52 N ATOM 864 CA ASP A 59 17.708 14.932 -9.859 1.00 53.12 C ATOM 865 C ASP A 59 17.117 13.545 -10.091 1.00 33.14 C ATOM 866 O ASP A 59 17.821 12.620 -10.494 1.00 74.12 O ATOM 867 CB ASP A 59 17.984 15.141 -8.369 1.00 74.54 C ATOM 868 CG ASP A 59 19.224 15.977 -8.122 1.00 33.23 C ATOM 869 OD1 ASP A 59 20.177 15.877 -8.923 1.00 54.51 O ATOM 870 OD2 ASP A 59 19.241 16.731 -7.127 1.00 10.21 O ATOM 0 H ASP A 59 16.533 16.657 -9.660 1.00 43.52 H new ATOM 0 HA ASP A 59 18.647 15.003 -10.407 1.00 53.12 H new ATOM 0 HB2 ASP A 59 17.124 15.627 -7.908 1.00 74.54 H new ATOM 0 HB3 ASP A 59 18.100 14.172 -7.884 1.00 74.54 H new ATOM 875 N GLU A 60 15.820 13.409 -9.831 1.00 21.32 N ATOM 876 CA GLU A 60 15.136 12.133 -10.009 1.00 52.42 C ATOM 877 C GLU A 60 14.809 11.892 -11.480 1.00 40.42 C ATOM 878 O GLU A 60 14.564 10.760 -11.895 1.00 71.21 O ATOM 879 CB GLU A 60 13.852 12.098 -9.178 1.00 32.43 C ATOM 880 CG GLU A 60 12.782 13.058 -9.669 1.00 34.22 C ATOM 881 CD GLU A 60 11.435 12.814 -9.016 1.00 31.01 C ATOM 882 OE1 GLU A 60 11.195 11.678 -8.556 1.00 53.13 O ATOM 883 OE2 GLU A 60 10.621 13.760 -8.964 1.00 43.25 O ATOM 0 H GLU A 60 15.223 14.165 -9.497 1.00 21.32 H new ATOM 0 HA GLU A 60 15.803 11.341 -9.668 1.00 52.42 H new ATOM 0 HB2 GLU A 60 13.451 11.085 -9.188 1.00 32.43 H new ATOM 0 HB3 GLU A 60 14.093 12.336 -8.142 1.00 32.43 H new ATOM 0 HG2 GLU A 60 13.098 14.082 -9.469 1.00 34.22 H new ATOM 0 HG3 GLU A 60 12.680 12.961 -10.750 1.00 34.22 H new ATOM 890 N SER A 61 14.807 12.966 -12.263 1.00 40.35 N ATOM 891 CA SER A 61 14.506 12.873 -13.687 1.00 42.43 C ATOM 892 C SER A 61 15.671 12.248 -14.449 1.00 11.21 C ATOM 893 O SER A 61 15.491 11.685 -15.530 1.00 12.43 O ATOM 894 CB SER A 61 14.195 14.259 -14.256 1.00 3.20 C ATOM 895 OG SER A 61 14.487 14.319 -15.641 1.00 43.23 O ATOM 0 H SER A 61 15.010 13.910 -11.936 1.00 40.35 H new ATOM 0 HA SER A 61 13.631 12.234 -13.807 1.00 42.43 H new ATOM 0 HB2 SER A 61 13.144 14.495 -14.092 1.00 3.20 H new ATOM 0 HB3 SER A 61 14.777 15.012 -13.725 1.00 3.20 H new ATOM 0 HG SER A 61 14.278 15.214 -15.981 1.00 43.23 H new ATOM 901 N LEU A 62 16.866 12.351 -13.878 1.00 31.11 N ATOM 902 CA LEU A 62 18.062 11.796 -14.502 1.00 22.03 C ATOM 903 C LEU A 62 17.851 10.333 -14.880 1.00 13.43 C ATOM 904 O LEU A 62 17.932 9.950 -16.047 1.00 13.50 O ATOM 905 CB LEU A 62 19.259 11.923 -13.558 1.00 21.45 C ATOM 906 CG LEU A 62 20.283 13.002 -13.912 1.00 74.23 C ATOM 907 CD1 LEU A 62 21.079 13.408 -12.682 1.00 34.33 C ATOM 908 CD2 LEU A 62 21.212 12.514 -15.014 1.00 21.21 C ATOM 0 H LEU A 62 17.033 12.814 -12.984 1.00 31.11 H new ATOM 0 HA LEU A 62 18.263 12.362 -15.412 1.00 22.03 H new ATOM 0 HB2 LEU A 62 18.884 12.122 -12.554 1.00 21.45 H new ATOM 0 HB3 LEU A 62 19.772 10.962 -13.523 1.00 21.45 H new ATOM 0 HG LEU A 62 19.747 13.878 -14.277 1.00 74.23 H new ATOM 0 HD11 LEU A 62 21.802 14.177 -12.954 1.00 34.33 H new ATOM 0 HD12 LEU A 62 20.402 13.800 -11.923 1.00 34.33 H new ATOM 0 HD13 LEU A 62 21.605 12.539 -12.286 1.00 34.33 H new ATOM 0 HD21 LEU A 62 21.934 13.295 -15.253 1.00 21.21 H new ATOM 0 HD22 LEU A 62 21.740 11.622 -14.676 1.00 21.21 H new ATOM 0 HD23 LEU A 62 20.628 12.275 -15.903 1.00 21.21 H new ATOM 920 N PRO A 63 17.571 9.496 -13.870 1.00 72.43 N ATOM 921 CA PRO A 63 17.339 8.062 -14.072 1.00 51.34 C ATOM 922 C PRO A 63 16.026 7.784 -14.797 1.00 4.00 C ATOM 923 O PRO A 63 15.977 6.978 -15.726 1.00 63.20 O ATOM 924 CB PRO A 63 17.291 7.506 -12.647 1.00 41.30 C ATOM 925 CG PRO A 63 16.872 8.661 -11.804 1.00 31.21 C ATOM 926 CD PRO A 63 17.459 9.883 -12.454 1.00 53.11 C ATOM 0 HA PRO A 63 18.110 7.608 -14.695 1.00 51.34 H new ATOM 0 HB2 PRO A 63 16.583 6.681 -12.568 1.00 41.30 H new ATOM 0 HB3 PRO A 63 18.264 7.123 -12.338 1.00 41.30 H new ATOM 0 HG2 PRO A 63 15.786 8.731 -11.751 1.00 31.21 H new ATOM 0 HG3 PRO A 63 17.235 8.550 -10.782 1.00 31.21 H new ATOM 0 HD2 PRO A 63 16.817 10.754 -12.325 1.00 53.11 H new ATOM 0 HD3 PRO A 63 18.430 10.137 -12.029 1.00 53.11 H new ATOM 934 N VAL A 64 14.964 8.457 -14.366 1.00 72.25 N ATOM 935 CA VAL A 64 13.651 8.283 -14.976 1.00 35.14 C ATOM 936 C VAL A 64 13.725 8.424 -16.492 1.00 30.22 C ATOM 937 O VAL A 64 13.001 7.749 -17.225 1.00 63.14 O ATOM 938 CB VAL A 64 12.637 9.304 -14.425 1.00 70.23 C ATOM 939 CG1 VAL A 64 11.302 9.170 -15.141 1.00 73.14 C ATOM 940 CG2 VAL A 64 12.466 9.128 -12.924 1.00 2.10 C ATOM 0 H VAL A 64 14.987 9.127 -13.597 1.00 72.25 H new ATOM 0 HA VAL A 64 13.316 7.277 -14.724 1.00 35.14 H new ATOM 0 HB VAL A 64 13.022 10.307 -14.609 1.00 70.23 H new ATOM 0 HG11 VAL A 64 10.599 9.899 -14.739 1.00 73.14 H new ATOM 0 HG12 VAL A 64 11.441 9.350 -16.207 1.00 73.14 H new ATOM 0 HG13 VAL A 64 10.908 8.165 -14.991 1.00 73.14 H new ATOM 0 HG21 VAL A 64 11.746 9.857 -12.552 1.00 2.10 H new ATOM 0 HG22 VAL A 64 12.104 8.121 -12.715 1.00 2.10 H new ATOM 0 HG23 VAL A 64 13.425 9.279 -12.428 1.00 2.10 H new ATOM 950 N LEU A 65 14.605 9.304 -16.956 1.00 13.30 N ATOM 951 CA LEU A 65 14.775 9.534 -18.386 1.00 41.24 C ATOM 952 C LEU A 65 16.050 8.870 -18.897 1.00 33.43 C ATOM 953 O LEU A 65 16.979 8.589 -18.139 1.00 74.51 O ATOM 954 CB LEU A 65 14.816 11.035 -18.681 1.00 32.24 C ATOM 955 CG LEU A 65 13.463 11.745 -18.735 1.00 12.01 C ATOM 956 CD1 LEU A 65 12.568 11.109 -19.788 1.00 1.25 C ATOM 957 CD2 LEU A 65 12.789 11.714 -17.371 1.00 2.43 C ATOM 0 H LEU A 65 15.212 9.870 -16.363 1.00 13.30 H new ATOM 0 HA LEU A 65 13.924 9.091 -18.903 1.00 41.24 H new ATOM 0 HB2 LEU A 65 15.427 11.518 -17.919 1.00 32.24 H new ATOM 0 HB3 LEU A 65 15.320 11.184 -19.636 1.00 32.24 H new ATOM 0 HG LEU A 65 13.632 12.786 -19.011 1.00 12.01 H new ATOM 0 HD11 LEU A 65 11.609 11.627 -19.812 1.00 1.25 H new ATOM 0 HD12 LEU A 65 13.046 11.184 -20.765 1.00 1.25 H new ATOM 0 HD13 LEU A 65 12.407 10.059 -19.543 1.00 1.25 H new ATOM 0 HD21 LEU A 65 11.827 12.224 -17.429 1.00 2.43 H new ATOM 0 HD22 LEU A 65 12.633 10.679 -17.066 1.00 2.43 H new ATOM 0 HD23 LEU A 65 13.423 12.216 -16.640 1.00 2.43 H new ATOM 969 N PRO A 66 16.098 8.614 -20.212 1.00 70.44 N ATOM 970 CA PRO A 66 17.255 7.982 -20.854 1.00 72.11 C ATOM 971 C PRO A 66 18.472 8.900 -20.889 1.00 13.14 C ATOM 972 O PRO A 66 18.365 10.075 -21.239 1.00 33.13 O ATOM 973 CB PRO A 66 16.760 7.696 -22.274 1.00 63.22 C ATOM 974 CG PRO A 66 15.684 8.698 -22.510 1.00 15.05 C ATOM 975 CD PRO A 66 15.027 8.922 -21.175 1.00 62.32 C ATOM 0 HA PRO A 66 17.585 7.094 -20.316 1.00 72.11 H new ATOM 0 HB2 PRO A 66 17.564 7.800 -23.002 1.00 63.22 H new ATOM 0 HB3 PRO A 66 16.380 6.678 -22.363 1.00 63.22 H new ATOM 0 HG2 PRO A 66 16.096 9.627 -22.903 1.00 15.05 H new ATOM 0 HG3 PRO A 66 14.964 8.333 -23.243 1.00 15.05 H new ATOM 0 HD2 PRO A 66 14.673 9.947 -21.068 1.00 62.32 H new ATOM 0 HD3 PRO A 66 14.164 8.271 -21.038 1.00 62.32 H new ATOM 983 N ALA A 67 19.628 8.356 -20.523 1.00 41.35 N ATOM 984 CA ALA A 67 20.866 9.126 -20.515 1.00 54.44 C ATOM 985 C ALA A 67 21.095 9.810 -21.859 1.00 3.43 C ATOM 986 O ALA A 67 21.091 9.162 -22.905 1.00 50.00 O ATOM 987 CB ALA A 67 22.044 8.228 -20.170 1.00 20.00 C ATOM 0 H ALA A 67 19.733 7.385 -20.228 1.00 41.35 H new ATOM 0 HA ALA A 67 20.779 9.900 -19.753 1.00 54.44 H new ATOM 0 HB1 ALA A 67 22.962 8.816 -20.168 1.00 20.00 H new ATOM 0 HB2 ALA A 67 21.891 7.790 -19.184 1.00 20.00 H new ATOM 0 HB3 ALA A 67 22.125 7.433 -20.911 1.00 20.00 H new ATOM 993 N SER A 68 21.295 11.124 -21.822 1.00 40.02 N ATOM 994 CA SER A 68 21.522 11.897 -23.038 1.00 30.22 C ATOM 995 C SER A 68 21.683 13.380 -22.717 1.00 31.42 C ATOM 996 O SER A 68 22.435 14.093 -23.381 1.00 4.41 O ATOM 997 CB SER A 68 20.364 11.698 -24.017 1.00 53.24 C ATOM 998 OG SER A 68 20.838 11.314 -25.296 1.00 73.04 O ATOM 0 H SER A 68 21.304 11.675 -20.964 1.00 40.02 H new ATOM 0 HA SER A 68 22.443 11.541 -23.499 1.00 30.22 H new ATOM 0 HB2 SER A 68 19.686 10.936 -23.633 1.00 53.24 H new ATOM 0 HB3 SER A 68 19.791 12.622 -24.100 1.00 53.24 H new ATOM 0 HG SER A 68 20.079 11.191 -25.903 1.00 73.04 H new ATOM 1004 N THR A 69 20.970 13.838 -21.693 1.00 32.25 N ATOM 1005 CA THR A 69 21.031 15.235 -21.283 1.00 2.03 C ATOM 1006 C THR A 69 21.702 15.380 -19.921 1.00 73.33 C ATOM 1007 O THR A 69 21.433 16.328 -19.183 1.00 50.34 O ATOM 1008 CB THR A 69 19.627 15.864 -21.220 1.00 53.40 C ATOM 1009 OG1 THR A 69 19.730 17.269 -20.959 1.00 63.51 O ATOM 1010 CG2 THR A 69 18.785 15.203 -20.139 1.00 2.21 C ATOM 0 H THR A 69 20.343 13.261 -21.132 1.00 32.25 H new ATOM 0 HA THR A 69 21.622 15.759 -22.034 1.00 2.03 H new ATOM 0 HB THR A 69 19.141 15.708 -22.183 1.00 53.40 H new ATOM 0 HG1 THR A 69 20.174 17.410 -20.097 1.00 63.51 H new ATOM 0 HG21 THR A 69 17.798 15.664 -20.114 1.00 2.21 H new ATOM 0 HG22 THR A 69 18.683 14.140 -20.356 1.00 2.21 H new ATOM 0 HG23 THR A 69 19.270 15.331 -19.171 1.00 2.21 H new ATOM 1018 N HIS A 70 22.576 14.434 -19.594 1.00 23.31 N ATOM 1019 CA HIS A 70 23.287 14.457 -18.320 1.00 52.23 C ATOM 1020 C HIS A 70 24.044 15.770 -18.145 1.00 23.11 C ATOM 1021 O HIS A 70 23.949 16.418 -17.103 1.00 1.05 O ATOM 1022 CB HIS A 70 24.257 13.279 -18.232 1.00 4.10 C ATOM 1023 CG HIS A 70 25.134 13.133 -19.438 1.00 14.21 C ATOM 1024 ND1 HIS A 70 26.384 13.706 -19.533 1.00 43.01 N ATOM 1025 CD2 HIS A 70 24.934 12.473 -20.602 1.00 61.15 C ATOM 1026 CE1 HIS A 70 26.915 13.406 -20.705 1.00 25.11 C ATOM 1027 NE2 HIS A 70 26.056 12.658 -21.373 1.00 32.12 N ATOM 0 H HIS A 70 22.809 13.642 -20.193 1.00 23.31 H new ATOM 0 HA HIS A 70 22.552 14.372 -17.520 1.00 52.23 H new ATOM 0 HB2 HIS A 70 24.885 13.401 -17.349 1.00 4.10 H new ATOM 0 HB3 HIS A 70 23.688 12.360 -18.094 1.00 4.10 H new ATOM 0 HD2 HIS A 70 24.056 11.906 -20.874 1.00 61.15 H new ATOM 0 HE1 HIS A 70 27.887 13.719 -21.057 1.00 25.11 H new ATOM 0 HE2 HIS A 70 26.202 12.279 -22.309 1.00 32.12 H new ATOM 1035 N ARG A 71 24.796 16.155 -19.171 1.00 5.14 N ATOM 1036 CA ARG A 71 25.572 17.389 -19.129 1.00 13.15 C ATOM 1037 C ARG A 71 24.692 18.570 -18.730 1.00 0.43 C ATOM 1038 O ARG A 71 24.955 19.243 -17.733 1.00 75.22 O ATOM 1039 CB ARG A 71 26.218 17.657 -20.489 1.00 52.10 C ATOM 1040 CG ARG A 71 27.380 18.635 -20.429 1.00 55.54 C ATOM 1041 CD ARG A 71 27.668 19.242 -21.794 1.00 32.22 C ATOM 1042 NE ARG A 71 29.070 19.091 -22.175 1.00 35.31 N ATOM 1043 CZ ARG A 71 29.548 19.431 -23.366 1.00 70.35 C ATOM 1044 NH1 ARG A 71 28.741 19.939 -24.288 1.00 24.10 N ATOM 1045 NH2 ARG A 71 30.836 19.263 -23.638 1.00 71.02 N ATOM 0 H ARG A 71 24.884 15.630 -20.041 1.00 5.14 H new ATOM 0 HA ARG A 71 26.355 17.271 -18.380 1.00 13.15 H new ATOM 0 HB2 ARG A 71 26.569 16.714 -20.907 1.00 52.10 H new ATOM 0 HB3 ARG A 71 25.462 18.046 -21.171 1.00 52.10 H new ATOM 0 HG2 ARG A 71 27.153 19.429 -19.717 1.00 55.54 H new ATOM 0 HG3 ARG A 71 28.270 18.123 -20.062 1.00 55.54 H new ATOM 0 HD2 ARG A 71 27.035 18.766 -22.543 1.00 32.22 H new ATOM 0 HD3 ARG A 71 27.407 20.300 -21.783 1.00 32.22 H new ATOM 0 HE ARG A 71 29.717 18.703 -21.489 1.00 35.31 H new ATOM 0 HH11 ARG A 71 27.750 20.069 -24.083 1.00 24.10 H new ATOM 0 HH12 ARG A 71 29.111 20.199 -25.202 1.00 24.10 H new ATOM 0 HH21 ARG A 71 31.460 18.872 -22.932 1.00 71.02 H new ATOM 0 HH22 ARG A 71 31.202 19.525 -24.553 1.00 71.02 H new ATOM 1059 N GLU A 72 23.648 18.816 -19.515 1.00 42.44 N ATOM 1060 CA GLU A 72 22.731 19.917 -19.244 1.00 44.31 C ATOM 1061 C GLU A 72 22.231 19.866 -17.803 1.00 42.43 C ATOM 1062 O GLU A 72 22.392 20.824 -17.045 1.00 75.45 O ATOM 1063 CB GLU A 72 21.545 19.872 -20.209 1.00 60.03 C ATOM 1064 CG GLU A 72 21.679 20.826 -21.384 1.00 44.12 C ATOM 1065 CD GLU A 72 20.353 21.104 -22.065 1.00 21.12 C ATOM 1066 OE1 GLU A 72 19.305 20.961 -21.401 1.00 10.43 O ATOM 1067 OE2 GLU A 72 20.363 21.463 -23.261 1.00 10.24 O ATOM 0 H GLU A 72 23.416 18.268 -20.343 1.00 42.44 H new ATOM 0 HA GLU A 72 23.273 20.852 -19.390 1.00 44.31 H new ATOM 0 HB2 GLU A 72 21.434 18.856 -20.588 1.00 60.03 H new ATOM 0 HB3 GLU A 72 20.633 20.109 -19.661 1.00 60.03 H new ATOM 0 HG2 GLU A 72 22.109 21.766 -21.037 1.00 44.12 H new ATOM 0 HG3 GLU A 72 22.375 20.406 -22.110 1.00 44.12 H new ATOM 1074 N ILE A 73 21.625 18.744 -17.433 1.00 74.33 N ATOM 1075 CA ILE A 73 21.101 18.567 -16.084 1.00 44.53 C ATOM 1076 C ILE A 73 22.176 18.843 -15.038 1.00 13.13 C ATOM 1077 O ILE A 73 21.895 19.407 -13.980 1.00 63.54 O ATOM 1078 CB ILE A 73 20.550 17.145 -15.876 1.00 24.54 C ATOM 1079 CG1 ILE A 73 19.391 16.877 -16.837 1.00 54.11 C ATOM 1080 CG2 ILE A 73 20.104 16.956 -14.433 1.00 63.44 C ATOM 1081 CD1 ILE A 73 18.181 17.749 -16.582 1.00 32.53 C ATOM 0 H ILE A 73 21.484 17.943 -18.048 1.00 74.33 H new ATOM 0 HA ILE A 73 20.288 19.283 -15.964 1.00 44.53 H new ATOM 0 HB ILE A 73 21.344 16.429 -16.087 1.00 24.54 H new ATOM 0 HG12 ILE A 73 19.734 17.035 -17.860 1.00 54.11 H new ATOM 0 HG13 ILE A 73 19.098 15.830 -16.757 1.00 54.11 H new ATOM 0 HG21 ILE A 73 19.717 15.946 -14.301 1.00 63.44 H new ATOM 0 HG22 ILE A 73 20.953 17.109 -13.767 1.00 63.44 H new ATOM 0 HG23 ILE A 73 19.322 17.678 -14.196 1.00 63.44 H new ATOM 0 HD11 ILE A 73 17.398 17.505 -17.300 1.00 32.53 H new ATOM 0 HD12 ILE A 73 17.813 17.574 -15.571 1.00 32.53 H new ATOM 0 HD13 ILE A 73 18.459 18.797 -16.691 1.00 32.53 H new ATOM 1093 N GLU A 74 23.407 18.443 -15.341 1.00 54.25 N ATOM 1094 CA GLU A 74 24.523 18.649 -14.427 1.00 23.54 C ATOM 1095 C GLU A 74 24.733 20.134 -14.148 1.00 53.34 C ATOM 1096 O GLU A 74 24.762 20.562 -12.995 1.00 10.30 O ATOM 1097 CB GLU A 74 25.803 18.041 -15.005 1.00 4.44 C ATOM 1098 CG GLU A 74 26.228 16.753 -14.321 1.00 63.40 C ATOM 1099 CD GLU A 74 27.625 16.315 -14.718 1.00 31.14 C ATOM 1100 OE1 GLU A 74 27.839 16.028 -15.914 1.00 53.32 O ATOM 1101 OE2 GLU A 74 28.503 16.259 -13.832 1.00 65.21 O ATOM 0 H GLU A 74 23.656 17.975 -16.212 1.00 54.25 H new ATOM 0 HA GLU A 74 24.285 18.152 -13.487 1.00 23.54 H new ATOM 0 HB2 GLU A 74 25.655 17.847 -16.067 1.00 4.44 H new ATOM 0 HB3 GLU A 74 26.610 18.769 -14.923 1.00 4.44 H new ATOM 0 HG2 GLU A 74 26.187 16.889 -13.240 1.00 63.40 H new ATOM 0 HG3 GLU A 74 25.519 15.963 -14.569 1.00 63.40 H new ATOM 1108 N MET A 75 24.878 20.915 -15.214 1.00 63.00 N ATOM 1109 CA MET A 75 25.084 22.353 -15.085 1.00 64.10 C ATOM 1110 C MET A 75 23.826 23.037 -14.560 1.00 5.51 C ATOM 1111 O MET A 75 23.901 24.079 -13.909 1.00 23.02 O ATOM 1112 CB MET A 75 25.482 22.956 -16.434 1.00 20.32 C ATOM 1113 CG MET A 75 26.827 22.466 -16.945 1.00 42.43 C ATOM 1114 SD MET A 75 28.210 23.096 -15.975 1.00 2.40 S ATOM 1115 CE MET A 75 29.443 23.327 -17.253 1.00 64.13 C ATOM 0 H MET A 75 24.857 20.576 -16.176 1.00 63.00 H new ATOM 0 HA MET A 75 25.890 22.517 -14.370 1.00 64.10 H new ATOM 0 HB2 MET A 75 24.714 22.718 -17.170 1.00 20.32 H new ATOM 0 HB3 MET A 75 25.511 24.042 -16.343 1.00 20.32 H new ATOM 0 HG2 MET A 75 26.843 21.376 -16.928 1.00 42.43 H new ATOM 0 HG3 MET A 75 26.949 22.770 -17.985 1.00 42.43 H new ATOM 0 HE1 MET A 75 30.360 23.714 -16.808 1.00 64.13 H new ATOM 0 HE2 MET A 75 29.649 22.372 -17.737 1.00 64.13 H new ATOM 0 HE3 MET A 75 29.071 24.036 -17.993 1.00 64.13 H new ATOM 1125 N ALA A 76 22.672 22.445 -14.848 1.00 10.42 N ATOM 1126 CA ALA A 76 21.398 22.998 -14.403 1.00 25.30 C ATOM 1127 C ALA A 76 21.287 22.965 -12.882 1.00 41.15 C ATOM 1128 O ALA A 76 20.661 23.836 -12.279 1.00 33.52 O ATOM 1129 CB ALA A 76 20.243 22.236 -15.035 1.00 62.22 C ATOM 0 H ALA A 76 22.593 21.583 -15.387 1.00 10.42 H new ATOM 0 HA ALA A 76 21.350 24.039 -14.722 1.00 25.30 H new ATOM 0 HB1 ALA A 76 19.298 22.659 -14.694 1.00 62.22 H new ATOM 0 HB2 ALA A 76 20.306 22.315 -16.120 1.00 62.22 H new ATOM 0 HB3 ALA A 76 20.297 21.187 -14.744 1.00 62.22 H new ATOM 1135 N GLN A 77 21.898 21.956 -12.271 1.00 30.34 N ATOM 1136 CA GLN A 77 21.865 21.810 -10.820 1.00 43.11 C ATOM 1137 C GLN A 77 22.543 22.994 -10.139 1.00 0.33 C ATOM 1138 O GLN A 77 21.893 23.790 -9.460 1.00 74.34 O ATOM 1139 CB GLN A 77 22.548 20.507 -10.402 1.00 31.42 C ATOM 1140 CG GLN A 77 21.575 19.370 -10.132 1.00 63.11 C ATOM 1141 CD GLN A 77 21.533 18.973 -8.670 1.00 21.53 C ATOM 1142 OE1 GLN A 77 21.027 19.714 -7.827 1.00 41.42 O ATOM 1143 NE2 GLN A 77 22.066 17.796 -8.360 1.00 12.20 N ATOM 0 H GLN A 77 22.422 21.228 -12.757 1.00 30.34 H new ATOM 0 HA GLN A 77 20.822 21.782 -10.506 1.00 43.11 H new ATOM 0 HB2 GLN A 77 23.242 20.202 -11.186 1.00 31.42 H new ATOM 0 HB3 GLN A 77 23.140 20.688 -9.505 1.00 31.42 H new ATOM 0 HG2 GLN A 77 20.577 19.667 -10.453 1.00 63.11 H new ATOM 0 HG3 GLN A 77 21.858 18.505 -10.732 1.00 63.11 H new ATOM 0 HE21 GLN A 77 22.475 17.213 -9.090 1.00 12.20 H new ATOM 0 HE22 GLN A 77 22.066 17.475 -7.392 1.00 12.20 H new ATOM 1152 N LYS A 78 23.854 23.106 -10.323 1.00 62.51 N ATOM 1153 CA LYS A 78 24.621 24.193 -9.727 1.00 65.14 C ATOM 1154 C LYS A 78 23.991 25.544 -10.049 1.00 35.11 C ATOM 1155 O LYS A 78 23.888 26.414 -9.183 1.00 53.34 O ATOM 1156 CB LYS A 78 26.066 24.160 -10.231 1.00 4.24 C ATOM 1157 CG LYS A 78 27.052 23.611 -9.214 1.00 62.31 C ATOM 1158 CD LYS A 78 28.459 24.125 -9.467 1.00 43.23 C ATOM 1159 CE LYS A 78 29.134 23.368 -10.601 1.00 22.34 C ATOM 1160 NZ LYS A 78 30.538 23.817 -10.809 1.00 44.33 N ATOM 0 H LYS A 78 24.408 22.456 -10.881 1.00 62.51 H new ATOM 0 HA LYS A 78 24.616 24.058 -8.645 1.00 65.14 H new ATOM 0 HB2 LYS A 78 26.113 23.553 -11.135 1.00 4.24 H new ATOM 0 HB3 LYS A 78 26.368 25.170 -10.509 1.00 4.24 H new ATOM 0 HG2 LYS A 78 26.736 23.894 -8.210 1.00 62.31 H new ATOM 0 HG3 LYS A 78 27.049 22.522 -9.254 1.00 62.31 H new ATOM 0 HD2 LYS A 78 28.421 25.187 -9.709 1.00 43.23 H new ATOM 0 HD3 LYS A 78 29.053 24.026 -8.558 1.00 43.23 H new ATOM 0 HE2 LYS A 78 29.123 22.300 -10.382 1.00 22.34 H new ATOM 0 HE3 LYS A 78 28.567 23.511 -11.521 1.00 22.34 H new ATOM 0 HZ1 LYS A 78 30.963 23.277 -11.590 1.00 44.33 H new ATOM 0 HZ2 LYS A 78 30.547 24.830 -11.043 1.00 44.33 H new ATOM 0 HZ3 LYS A 78 31.086 23.657 -9.940 1.00 44.33 H new ATOM 1174 N LEU A 79 23.568 25.712 -11.297 1.00 42.30 N ATOM 1175 CA LEU A 79 22.945 26.957 -11.732 1.00 42.55 C ATOM 1176 C LEU A 79 21.780 27.331 -10.822 1.00 30.02 C ATOM 1177 O LEU A 79 21.684 28.466 -10.353 1.00 35.12 O ATOM 1178 CB LEU A 79 22.458 26.829 -13.177 1.00 33.03 C ATOM 1179 CG LEU A 79 23.303 27.538 -14.236 1.00 34.31 C ATOM 1180 CD1 LEU A 79 24.651 26.851 -14.390 1.00 0.50 C ATOM 1181 CD2 LEU A 79 22.567 27.576 -15.567 1.00 55.32 C ATOM 0 H LEU A 79 23.645 25.002 -12.025 1.00 42.30 H new ATOM 0 HA LEU A 79 23.693 27.747 -11.676 1.00 42.55 H new ATOM 0 HB2 LEU A 79 22.408 25.770 -13.430 1.00 33.03 H new ATOM 0 HB3 LEU A 79 21.441 27.218 -13.232 1.00 33.03 H new ATOM 0 HG LEU A 79 23.476 28.563 -13.909 1.00 34.31 H new ATOM 0 HD11 LEU A 79 25.239 27.369 -15.148 1.00 0.50 H new ATOM 0 HD12 LEU A 79 25.183 26.875 -13.439 1.00 0.50 H new ATOM 0 HD13 LEU A 79 24.499 25.815 -14.694 1.00 0.50 H new ATOM 0 HD21 LEU A 79 23.183 28.084 -16.309 1.00 55.32 H new ATOM 0 HD22 LEU A 79 22.364 26.558 -15.900 1.00 55.32 H new ATOM 0 HD23 LEU A 79 21.626 28.113 -15.447 1.00 55.32 H new ATOM 1193 N LEU A 80 20.898 26.369 -10.574 1.00 22.05 N ATOM 1194 CA LEU A 80 19.740 26.596 -9.716 1.00 73.43 C ATOM 1195 C LEU A 80 20.163 27.178 -8.372 1.00 11.14 C ATOM 1196 O LEU A 80 19.560 28.130 -7.879 1.00 54.32 O ATOM 1197 CB LEU A 80 18.976 25.288 -9.501 1.00 23.31 C ATOM 1198 CG LEU A 80 17.897 24.962 -10.534 1.00 44.24 C ATOM 1199 CD1 LEU A 80 17.934 23.486 -10.897 1.00 70.24 C ATOM 1200 CD2 LEU A 80 16.522 25.351 -10.011 1.00 25.45 C ATOM 0 H LEU A 80 20.962 25.425 -10.955 1.00 22.05 H new ATOM 0 HA LEU A 80 19.087 27.314 -10.212 1.00 73.43 H new ATOM 0 HB2 LEU A 80 19.695 24.469 -9.486 1.00 23.31 H new ATOM 0 HB3 LEU A 80 18.510 25.321 -8.516 1.00 23.31 H new ATOM 0 HG LEU A 80 18.097 25.541 -11.435 1.00 44.24 H new ATOM 0 HD11 LEU A 80 17.159 23.273 -11.633 1.00 70.24 H new ATOM 0 HD12 LEU A 80 18.910 23.238 -11.315 1.00 70.24 H new ATOM 0 HD13 LEU A 80 17.760 22.887 -10.003 1.00 70.24 H new ATOM 0 HD21 LEU A 80 15.767 25.112 -10.760 1.00 25.45 H new ATOM 0 HD22 LEU A 80 16.312 24.800 -9.095 1.00 25.45 H new ATOM 0 HD23 LEU A 80 16.501 26.421 -9.804 1.00 25.45 H new ATOM 1212 N ASN A 81 21.206 26.600 -7.784 1.00 14.00 N ATOM 1213 CA ASN A 81 21.711 27.063 -6.497 1.00 20.03 C ATOM 1214 C ASN A 81 21.967 28.567 -6.522 1.00 32.14 C ATOM 1215 O ASN A 81 21.314 29.330 -5.810 1.00 75.11 O ATOM 1216 CB ASN A 81 22.999 26.321 -6.134 1.00 42.24 C ATOM 1217 CG ASN A 81 22.796 24.821 -6.040 1.00 14.44 C ATOM 1218 OD1 ASN A 81 23.554 24.043 -6.618 1.00 2.12 O ATOM 1219 ND2 ASN A 81 21.767 24.409 -5.308 1.00 1.33 N ATOM 0 H ASN A 81 21.717 25.811 -8.179 1.00 14.00 H new ATOM 0 HA ASN A 81 20.954 26.854 -5.741 1.00 20.03 H new ATOM 0 HB2 ASN A 81 23.762 26.535 -6.883 1.00 42.24 H new ATOM 0 HB3 ASN A 81 23.374 26.694 -5.181 1.00 42.24 H new ATOM 0 HD21 ASN A 81 21.579 23.411 -5.208 1.00 1.33 H new ATOM 0 HD22 ASN A 81 21.164 25.090 -4.846 1.00 1.33 H new ATOM 1226 N SER A 82 22.921 28.986 -7.346 1.00 63.34 N ATOM 1227 CA SER A 82 23.266 30.398 -7.462 1.00 70.23 C ATOM 1228 C SER A 82 22.025 31.239 -7.745 1.00 73.44 C ATOM 1229 O SER A 82 21.797 32.265 -7.104 1.00 62.25 O ATOM 1230 CB SER A 82 24.299 30.603 -8.572 1.00 52.01 C ATOM 1231 OG SER A 82 25.585 30.176 -8.157 1.00 52.22 O ATOM 0 H SER A 82 23.469 28.368 -7.944 1.00 63.34 H new ATOM 0 HA SER A 82 23.694 30.721 -6.513 1.00 70.23 H new ATOM 0 HB2 SER A 82 23.997 30.048 -9.461 1.00 52.01 H new ATOM 0 HB3 SER A 82 24.334 31.656 -8.850 1.00 52.01 H new ATOM 0 HG SER A 82 26.227 30.316 -8.884 1.00 52.22 H new ATOM 1237 N ASP A 83 21.226 30.796 -8.710 1.00 35.23 N ATOM 1238 CA ASP A 83 20.006 31.506 -9.078 1.00 62.34 C ATOM 1239 C ASP A 83 19.144 31.780 -7.850 1.00 23.51 C ATOM 1240 O ASP A 83 18.655 32.893 -7.657 1.00 52.45 O ATOM 1241 CB ASP A 83 19.211 30.698 -10.105 1.00 31.30 C ATOM 1242 CG ASP A 83 19.995 30.448 -11.379 1.00 14.44 C ATOM 1243 OD1 ASP A 83 20.823 31.309 -11.744 1.00 21.11 O ATOM 1244 OD2 ASP A 83 19.780 29.393 -12.010 1.00 21.44 O ATOM 0 H ASP A 83 21.401 29.949 -9.251 1.00 35.23 H new ATOM 0 HA ASP A 83 20.290 32.461 -9.519 1.00 62.34 H new ATOM 0 HB2 ASP A 83 18.922 29.743 -9.666 1.00 31.30 H new ATOM 0 HB3 ASP A 83 18.290 31.229 -10.347 1.00 31.30 H new ATOM 1249 N LEU A 84 18.962 30.757 -7.022 1.00 34.11 N ATOM 1250 CA LEU A 84 18.157 30.887 -5.812 1.00 25.43 C ATOM 1251 C LEU A 84 18.627 32.069 -4.970 1.00 54.33 C ATOM 1252 O LEU A 84 17.925 33.072 -4.846 1.00 15.23 O ATOM 1253 CB LEU A 84 18.229 29.600 -4.988 1.00 21.32 C ATOM 1254 CG LEU A 84 17.388 29.572 -3.711 1.00 40.41 C ATOM 1255 CD1 LEU A 84 15.910 29.451 -4.048 1.00 60.21 C ATOM 1256 CD2 LEU A 84 17.827 28.429 -2.808 1.00 12.12 C ATOM 0 H LEU A 84 19.360 29.829 -7.166 1.00 34.11 H new ATOM 0 HA LEU A 84 17.124 31.064 -6.110 1.00 25.43 H new ATOM 0 HB2 LEU A 84 17.919 28.769 -5.622 1.00 21.32 H new ATOM 0 HB3 LEU A 84 19.270 29.423 -4.717 1.00 21.32 H new ATOM 0 HG LEU A 84 17.542 30.510 -3.177 1.00 40.41 H new ATOM 0 HD11 LEU A 84 15.327 29.433 -3.127 1.00 60.21 H new ATOM 0 HD12 LEU A 84 15.604 30.304 -4.654 1.00 60.21 H new ATOM 0 HD13 LEU A 84 15.738 28.530 -4.605 1.00 60.21 H new ATOM 0 HD21 LEU A 84 17.218 28.425 -1.904 1.00 12.12 H new ATOM 0 HD22 LEU A 84 17.703 27.482 -3.334 1.00 12.12 H new ATOM 0 HD23 LEU A 84 18.875 28.560 -2.538 1.00 12.12 H new ATOM 1268 N ALA A 85 19.819 31.945 -4.397 1.00 31.34 N ATOM 1269 CA ALA A 85 20.384 33.005 -3.571 1.00 33.21 C ATOM 1270 C ALA A 85 20.357 34.343 -4.302 1.00 23.04 C ATOM 1271 O ALA A 85 20.144 35.389 -3.691 1.00 12.45 O ATOM 1272 CB ALA A 85 21.806 32.653 -3.161 1.00 1.21 C ATOM 0 H ALA A 85 20.413 31.121 -4.489 1.00 31.34 H new ATOM 0 HA ALA A 85 19.772 33.099 -2.674 1.00 33.21 H new ATOM 0 HB1 ALA A 85 22.216 33.453 -2.545 1.00 1.21 H new ATOM 0 HB2 ALA A 85 21.801 31.723 -2.592 1.00 1.21 H new ATOM 0 HB3 ALA A 85 22.422 32.530 -4.052 1.00 1.21 H new ATOM 1278 N GLU A 86 20.576 34.301 -5.612 1.00 63.12 N ATOM 1279 CA GLU A 86 20.579 35.512 -6.425 1.00 32.42 C ATOM 1280 C GLU A 86 19.217 36.198 -6.382 1.00 53.41 C ATOM 1281 O GLU A 86 19.118 37.389 -6.082 1.00 30.11 O ATOM 1282 CB GLU A 86 20.950 35.181 -7.872 1.00 21.42 C ATOM 1283 CG GLU A 86 22.384 35.534 -8.228 1.00 64.41 C ATOM 1284 CD GLU A 86 22.506 36.163 -9.602 1.00 61.34 C ATOM 1285 OE1 GLU A 86 21.718 37.082 -9.906 1.00 41.45 O ATOM 1286 OE2 GLU A 86 23.390 35.735 -10.374 1.00 24.03 O ATOM 0 H GLU A 86 20.754 33.442 -6.133 1.00 63.12 H new ATOM 0 HA GLU A 86 21.324 36.193 -6.014 1.00 32.42 H new ATOM 0 HB2 GLU A 86 20.793 34.116 -8.044 1.00 21.42 H new ATOM 0 HB3 GLU A 86 20.276 35.715 -8.542 1.00 21.42 H new ATOM 0 HG2 GLU A 86 22.781 36.222 -7.481 1.00 64.41 H new ATOM 0 HG3 GLU A 86 22.996 34.633 -8.189 1.00 64.41 H new ATOM 1293 N LEU A 87 18.169 35.440 -6.685 1.00 11.10 N ATOM 1294 CA LEU A 87 16.811 35.974 -6.682 1.00 44.41 C ATOM 1295 C LEU A 87 16.390 36.384 -5.274 1.00 63.34 C ATOM 1296 O LEU A 87 15.972 37.519 -5.047 1.00 11.22 O ATOM 1297 CB LEU A 87 15.833 34.938 -7.238 1.00 42.24 C ATOM 1298 CG LEU A 87 16.221 34.297 -8.571 1.00 70.31 C ATOM 1299 CD1 LEU A 87 15.898 32.811 -8.562 1.00 62.42 C ATOM 1300 CD2 LEU A 87 15.511 34.992 -9.724 1.00 22.40 C ATOM 0 H LEU A 87 18.233 34.453 -6.936 1.00 11.10 H new ATOM 0 HA LEU A 87 16.794 36.859 -7.318 1.00 44.41 H new ATOM 0 HB2 LEU A 87 15.714 34.147 -6.498 1.00 42.24 H new ATOM 0 HB3 LEU A 87 14.859 35.413 -7.356 1.00 42.24 H new ATOM 0 HG LEU A 87 17.296 34.414 -8.709 1.00 70.31 H new ATOM 0 HD11 LEU A 87 16.181 32.371 -9.519 1.00 62.42 H new ATOM 0 HD12 LEU A 87 16.452 32.323 -7.760 1.00 62.42 H new ATOM 0 HD13 LEU A 87 14.829 32.672 -8.401 1.00 62.42 H new ATOM 0 HD21 LEU A 87 15.799 34.523 -10.665 1.00 22.40 H new ATOM 0 HD22 LEU A 87 14.432 34.907 -9.591 1.00 22.40 H new ATOM 0 HD23 LEU A 87 15.792 36.045 -9.743 1.00 22.40 H new ATOM 1312 N ILE A 88 16.506 35.453 -4.334 1.00 32.54 N ATOM 1313 CA ILE A 88 16.140 35.718 -2.948 1.00 22.12 C ATOM 1314 C ILE A 88 16.833 36.973 -2.427 1.00 71.32 C ATOM 1315 O ILE A 88 16.206 37.824 -1.797 1.00 64.42 O ATOM 1316 CB ILE A 88 16.498 34.531 -2.034 1.00 30.00 C ATOM 1317 CG1 ILE A 88 15.785 33.262 -2.507 1.00 3.33 C ATOM 1318 CG2 ILE A 88 16.132 34.844 -0.591 1.00 12.40 C ATOM 1319 CD1 ILE A 88 14.278 33.341 -2.402 1.00 43.22 C ATOM 0 H ILE A 88 16.850 34.509 -4.506 1.00 32.54 H new ATOM 0 HA ILE A 88 15.060 35.867 -2.930 1.00 22.12 H new ATOM 0 HB ILE A 88 17.574 34.362 -2.087 1.00 30.00 H new ATOM 0 HG12 ILE A 88 16.059 33.066 -3.544 1.00 3.33 H new ATOM 0 HG13 ILE A 88 16.138 32.415 -1.918 1.00 3.33 H new ATOM 0 HG21 ILE A 88 16.391 33.996 0.042 1.00 12.40 H new ATOM 0 HG22 ILE A 88 16.681 35.725 -0.259 1.00 12.40 H new ATOM 0 HG23 ILE A 88 15.061 35.036 -0.521 1.00 12.40 H new ATOM 0 HD11 ILE A 88 13.839 32.407 -2.754 1.00 43.22 H new ATOM 0 HD12 ILE A 88 13.994 33.506 -1.363 1.00 43.22 H new ATOM 0 HD13 ILE A 88 13.913 34.167 -3.013 1.00 43.22 H new ATOM 1331 N ASN A 89 18.130 37.081 -2.697 1.00 12.12 N ATOM 1332 CA ASN A 89 18.908 38.233 -2.257 1.00 3.24 C ATOM 1333 C ASN A 89 18.271 39.535 -2.734 1.00 65.34 C ATOM 1334 O ASN A 89 17.962 40.418 -1.935 1.00 31.15 O ATOM 1335 CB ASN A 89 20.344 38.134 -2.777 1.00 32.34 C ATOM 1336 CG ASN A 89 21.203 39.301 -2.330 1.00 32.24 C ATOM 1337 OD1 ASN A 89 21.056 39.803 -1.215 1.00 62.30 O ATOM 1338 ND2 ASN A 89 22.105 39.738 -3.200 1.00 3.41 N ATOM 0 H ASN A 89 18.664 36.385 -3.218 1.00 12.12 H new ATOM 0 HA ASN A 89 18.923 38.235 -1.167 1.00 3.24 H new ATOM 0 HB2 ASN A 89 20.791 37.203 -2.428 1.00 32.34 H new ATOM 0 HB3 ASN A 89 20.331 38.092 -3.866 1.00 32.34 H new ATOM 0 HD21 ASN A 89 22.712 40.521 -2.956 1.00 3.41 H new ATOM 0 HD22 ASN A 89 22.191 39.291 -4.113 1.00 3.41 H new ATOM 1345 N LYS A 90 18.078 39.646 -4.044 1.00 50.22 N ATOM 1346 CA LYS A 90 17.476 40.838 -4.631 1.00 24.05 C ATOM 1347 C LYS A 90 16.172 41.193 -3.924 1.00 71.31 C ATOM 1348 O LYS A 90 15.890 42.364 -3.672 1.00 64.11 O ATOM 1349 CB LYS A 90 17.218 40.622 -6.123 1.00 50.24 C ATOM 1350 CG LYS A 90 18.446 40.171 -6.894 1.00 44.04 C ATOM 1351 CD LYS A 90 18.886 41.217 -7.905 1.00 1.33 C ATOM 1352 CE LYS A 90 20.037 40.714 -8.763 1.00 55.41 C ATOM 1353 NZ LYS A 90 19.609 39.619 -9.677 1.00 40.22 N ATOM 0 H LYS A 90 18.330 38.925 -4.720 1.00 50.22 H new ATOM 0 HA LYS A 90 18.173 41.666 -4.506 1.00 24.05 H new ATOM 0 HB2 LYS A 90 16.431 39.878 -6.243 1.00 50.24 H new ATOM 0 HB3 LYS A 90 16.848 41.551 -6.557 1.00 50.24 H new ATOM 0 HG2 LYS A 90 19.261 39.971 -6.198 1.00 44.04 H new ATOM 0 HG3 LYS A 90 18.230 39.235 -7.409 1.00 44.04 H new ATOM 0 HD2 LYS A 90 18.044 41.484 -8.544 1.00 1.33 H new ATOM 0 HD3 LYS A 90 19.190 42.124 -7.383 1.00 1.33 H new ATOM 0 HE2 LYS A 90 20.441 41.539 -9.349 1.00 55.41 H new ATOM 0 HE3 LYS A 90 20.841 40.357 -8.119 1.00 55.41 H new ATOM 0 HZ1 LYS A 90 20.171 38.765 -9.483 1.00 40.22 H new ATOM 0 HZ2 LYS A 90 18.601 39.413 -9.524 1.00 40.22 H new ATOM 0 HZ3 LYS A 90 19.756 39.913 -10.664 1.00 40.22 H new ATOM 1367 N MET A 91 15.380 40.174 -3.606 1.00 64.40 N ATOM 1368 CA MET A 91 14.107 40.379 -2.926 1.00 31.12 C ATOM 1369 C MET A 91 14.312 41.087 -1.590 1.00 72.33 C ATOM 1370 O MET A 91 13.648 42.080 -1.294 1.00 52.30 O ATOM 1371 CB MET A 91 13.401 39.040 -2.704 1.00 23.24 C ATOM 1372 CG MET A 91 11.926 39.179 -2.364 1.00 41.14 C ATOM 1373 SD MET A 91 11.636 39.385 -0.597 1.00 4.33 S ATOM 1374 CE MET A 91 9.849 39.492 -0.557 1.00 11.22 C ATOM 0 H MET A 91 15.598 39.198 -3.808 1.00 64.40 H new ATOM 0 HA MET A 91 13.483 41.010 -3.559 1.00 31.12 H new ATOM 0 HB2 MET A 91 13.502 38.432 -3.603 1.00 23.24 H new ATOM 0 HB3 MET A 91 13.902 38.504 -1.898 1.00 23.24 H new ATOM 0 HG2 MET A 91 11.513 40.035 -2.898 1.00 41.14 H new ATOM 0 HG3 MET A 91 11.392 38.296 -2.715 1.00 41.14 H new ATOM 0 HE1 MET A 91 9.551 40.495 -0.250 1.00 11.22 H new ATOM 0 HE2 MET A 91 9.450 39.282 -1.549 1.00 11.22 H new ATOM 0 HE3 MET A 91 9.457 38.764 0.153 1.00 11.22 H new ATOM 1384 N LYS A 92 15.235 40.569 -0.787 1.00 32.02 N ATOM 1385 CA LYS A 92 15.528 41.151 0.517 1.00 5.42 C ATOM 1386 C LYS A 92 15.823 42.643 0.393 1.00 34.12 C ATOM 1387 O LYS A 92 15.543 43.419 1.307 1.00 14.55 O ATOM 1388 CB LYS A 92 16.719 40.438 1.161 1.00 64.41 C ATOM 1389 CG LYS A 92 16.424 39.002 1.561 1.00 4.54 C ATOM 1390 CD LYS A 92 16.478 38.822 3.069 1.00 2.12 C ATOM 1391 CE LYS A 92 15.949 37.459 3.487 1.00 73.34 C ATOM 1392 NZ LYS A 92 15.485 37.453 4.902 1.00 51.33 N ATOM 0 H LYS A 92 15.793 39.747 -1.017 1.00 32.02 H new ATOM 0 HA LYS A 92 14.650 41.023 1.150 1.00 5.42 H new ATOM 0 HB2 LYS A 92 17.557 40.448 0.465 1.00 64.41 H new ATOM 0 HB3 LYS A 92 17.032 40.996 2.044 1.00 64.41 H new ATOM 0 HG2 LYS A 92 15.438 38.716 1.194 1.00 4.54 H new ATOM 0 HG3 LYS A 92 17.145 38.336 1.088 1.00 4.54 H new ATOM 0 HD2 LYS A 92 17.506 38.936 3.413 1.00 2.12 H new ATOM 0 HD3 LYS A 92 15.892 39.604 3.551 1.00 2.12 H new ATOM 0 HE2 LYS A 92 15.125 37.174 2.834 1.00 73.34 H new ATOM 0 HE3 LYS A 92 16.731 36.711 3.358 1.00 73.34 H new ATOM 0 HZ1 LYS A 92 15.055 36.532 5.122 1.00 51.33 H new ATOM 0 HZ2 LYS A 92 16.295 37.617 5.534 1.00 51.33 H new ATOM 0 HZ3 LYS A 92 14.781 38.206 5.040 1.00 51.33 H new ATOM 1406 N LEU A 93 16.387 43.037 -0.743 1.00 1.43 N ATOM 1407 CA LEU A 93 16.718 44.437 -0.987 1.00 52.11 C ATOM 1408 C LEU A 93 15.454 45.285 -1.091 1.00 61.03 C ATOM 1409 O LEU A 93 15.339 46.327 -0.446 1.00 73.43 O ATOM 1410 CB LEU A 93 17.542 44.571 -2.269 1.00 23.44 C ATOM 1411 CG LEU A 93 18.767 43.662 -2.376 1.00 63.33 C ATOM 1412 CD1 LEU A 93 19.479 43.880 -3.703 1.00 34.44 C ATOM 1413 CD2 LEU A 93 19.717 43.907 -1.213 1.00 22.11 C ATOM 0 H LEU A 93 16.625 42.408 -1.510 1.00 1.43 H new ATOM 0 HA LEU A 93 17.307 44.798 -0.144 1.00 52.11 H new ATOM 0 HB2 LEU A 93 16.890 44.370 -3.119 1.00 23.44 H new ATOM 0 HB3 LEU A 93 17.873 45.606 -2.358 1.00 23.44 H new ATOM 0 HG LEU A 93 18.431 42.626 -2.332 1.00 63.33 H new ATOM 0 HD11 LEU A 93 20.348 43.225 -3.762 1.00 34.44 H new ATOM 0 HD12 LEU A 93 18.798 43.653 -4.523 1.00 34.44 H new ATOM 0 HD13 LEU A 93 19.802 44.918 -3.776 1.00 34.44 H new ATOM 0 HD21 LEU A 93 20.583 43.251 -1.306 1.00 22.11 H new ATOM 0 HD22 LEU A 93 20.046 44.946 -1.225 1.00 22.11 H new ATOM 0 HD23 LEU A 93 19.204 43.699 -0.274 1.00 22.11 H new ATOM 1425 N ALA A 94 14.508 44.830 -1.906 1.00 40.03 N ATOM 1426 CA ALA A 94 13.251 45.544 -2.091 1.00 50.35 C ATOM 1427 C ALA A 94 12.587 45.844 -0.752 1.00 3.13 C ATOM 1428 O ALA A 94 11.995 46.907 -0.567 1.00 21.12 O ATOM 1429 CB ALA A 94 12.313 44.740 -2.979 1.00 52.12 C ATOM 0 H ALA A 94 14.588 43.970 -2.449 1.00 40.03 H new ATOM 0 HA ALA A 94 13.470 46.494 -2.579 1.00 50.35 H new ATOM 0 HB1 ALA A 94 11.378 45.285 -3.109 1.00 52.12 H new ATOM 0 HB2 ALA A 94 12.779 44.582 -3.952 1.00 52.12 H new ATOM 0 HB3 ALA A 94 12.109 43.776 -2.514 1.00 52.12 H new ATOM 1435 N GLN A 95 12.690 44.900 0.179 1.00 41.44 N ATOM 1436 CA GLN A 95 12.098 45.064 1.501 1.00 51.31 C ATOM 1437 C GLN A 95 12.619 46.328 2.178 1.00 73.12 C ATOM 1438 O GLN A 95 11.934 46.925 3.008 1.00 21.33 O ATOM 1439 CB GLN A 95 12.399 43.844 2.372 1.00 34.34 C ATOM 1440 CG GLN A 95 11.262 42.836 2.421 1.00 72.43 C ATOM 1441 CD GLN A 95 10.320 43.073 3.585 1.00 42.12 C ATOM 1442 OE1 GLN A 95 10.701 43.665 4.595 1.00 13.12 O ATOM 1443 NE2 GLN A 95 9.083 42.611 3.449 1.00 14.42 N ATOM 0 H GLN A 95 13.178 44.015 0.042 1.00 41.44 H new ATOM 0 HA GLN A 95 11.019 45.158 1.379 1.00 51.31 H new ATOM 0 HB2 GLN A 95 13.295 43.351 1.995 1.00 34.34 H new ATOM 0 HB3 GLN A 95 12.622 44.178 3.386 1.00 34.34 H new ATOM 0 HG2 GLN A 95 10.700 42.883 1.488 1.00 72.43 H new ATOM 0 HG3 GLN A 95 11.676 41.830 2.493 1.00 72.43 H new ATOM 0 HE21 GLN A 95 8.811 42.126 2.594 1.00 14.42 H new ATOM 0 HE22 GLN A 95 8.405 42.741 4.200 1.00 14.42 H new ATOM 1452 N GLN A 96 13.833 46.729 1.817 1.00 24.21 N ATOM 1453 CA GLN A 96 14.446 47.921 2.391 1.00 14.11 C ATOM 1454 C GLN A 96 14.364 49.095 1.421 1.00 4.43 C ATOM 1455 O GLN A 96 14.379 50.256 1.833 1.00 24.31 O ATOM 1456 CB GLN A 96 15.905 47.645 2.756 1.00 44.52 C ATOM 1457 CG GLN A 96 16.114 46.322 3.474 1.00 74.23 C ATOM 1458 CD GLN A 96 16.895 46.474 4.764 1.00 42.23 C ATOM 1459 OE1 GLN A 96 17.870 45.760 5.001 1.00 71.14 O ATOM 1460 NE2 GLN A 96 16.471 47.409 5.606 1.00 20.33 N ATOM 0 H GLN A 96 14.412 46.246 1.130 1.00 24.21 H new ATOM 0 HA GLN A 96 13.897 48.182 3.296 1.00 14.11 H new ATOM 0 HB2 GLN A 96 16.506 47.654 1.847 1.00 44.52 H new ATOM 0 HB3 GLN A 96 16.272 48.454 3.388 1.00 44.52 H new ATOM 0 HG2 GLN A 96 15.144 45.874 3.692 1.00 74.23 H new ATOM 0 HG3 GLN A 96 16.642 45.634 2.813 1.00 74.23 H new ATOM 0 HE21 GLN A 96 15.658 47.978 5.369 1.00 20.33 H new ATOM 0 HE22 GLN A 96 16.958 47.558 6.490 1.00 20.33 H new ATOM 1469 N TYR A 97 14.279 48.787 0.132 1.00 31.43 N ATOM 1470 CA TYR A 97 14.198 49.817 -0.897 1.00 23.43 C ATOM 1471 C TYR A 97 12.748 50.090 -1.282 1.00 35.44 C ATOM 1472 O TYR A 97 12.461 50.535 -2.393 1.00 10.21 O ATOM 1473 CB TYR A 97 14.995 49.396 -2.133 1.00 21.33 C ATOM 1474 CG TYR A 97 16.485 49.305 -1.891 1.00 32.23 C ATOM 1475 CD1 TYR A 97 17.175 50.346 -1.283 1.00 51.54 C ATOM 1476 CD2 TYR A 97 17.202 48.176 -2.269 1.00 1.42 C ATOM 1477 CE1 TYR A 97 18.536 50.268 -1.061 1.00 61.12 C ATOM 1478 CE2 TYR A 97 18.563 48.088 -2.049 1.00 42.42 C ATOM 1479 CZ TYR A 97 19.226 49.137 -1.446 1.00 33.14 C ATOM 1480 OH TYR A 97 20.581 49.054 -1.225 1.00 4.13 O ATOM 0 H TYR A 97 14.264 47.832 -0.226 1.00 31.43 H new ATOM 0 HA TYR A 97 14.626 50.734 -0.492 1.00 23.43 H new ATOM 0 HB2 TYR A 97 14.631 48.428 -2.477 1.00 21.33 H new ATOM 0 HB3 TYR A 97 14.809 50.110 -2.936 1.00 21.33 H new ATOM 0 HD1 TYR A 97 16.638 51.232 -0.978 1.00 51.54 H new ATOM 0 HD2 TYR A 97 16.686 47.354 -2.743 1.00 1.42 H new ATOM 0 HE1 TYR A 97 19.057 51.088 -0.589 1.00 61.12 H new ATOM 0 HE2 TYR A 97 19.105 47.203 -2.347 1.00 42.42 H new ATOM 0 HH TYR A 97 20.914 48.193 -1.554 1.00 4.13 H new ATOM 1490 N VAL A 98 11.835 49.819 -0.354 1.00 11.34 N ATOM 1491 CA VAL A 98 10.413 50.037 -0.593 1.00 63.22 C ATOM 1492 C VAL A 98 9.912 51.269 0.152 1.00 25.45 C ATOM 1493 O VAL A 98 9.072 52.012 -0.352 1.00 14.44 O ATOM 1494 CB VAL A 98 9.579 48.816 -0.164 1.00 35.32 C ATOM 1495 CG1 VAL A 98 9.924 48.406 1.260 1.00 52.51 C ATOM 1496 CG2 VAL A 98 8.093 49.113 -0.296 1.00 54.52 C ATOM 0 H VAL A 98 12.055 49.448 0.570 1.00 11.34 H new ATOM 0 HA VAL A 98 10.292 50.192 -1.665 1.00 63.22 H new ATOM 0 HB VAL A 98 9.820 47.983 -0.825 1.00 35.32 H new ATOM 0 HG11 VAL A 98 9.324 47.542 1.545 1.00 52.51 H new ATOM 0 HG12 VAL A 98 10.982 48.149 1.319 1.00 52.51 H new ATOM 0 HG13 VAL A 98 9.713 49.233 1.938 1.00 52.51 H new ATOM 0 HG21 VAL A 98 7.519 48.239 0.011 1.00 54.52 H new ATOM 0 HG22 VAL A 98 7.833 49.960 0.339 1.00 54.52 H new ATOM 0 HG23 VAL A 98 7.861 49.353 -1.334 1.00 54.52 H new ATOM 1506 N MET A 99 10.436 51.478 1.356 1.00 15.21 N ATOM 1507 CA MET A 99 10.042 52.622 2.171 1.00 24.22 C ATOM 1508 C MET A 99 10.683 53.905 1.652 1.00 1.12 C ATOM 1509 O MET A 99 10.271 55.008 2.014 1.00 21.11 O ATOM 1510 CB MET A 99 10.438 52.395 3.631 1.00 23.44 C ATOM 1511 CG MET A 99 11.928 52.553 3.889 1.00 50.31 C ATOM 1512 SD MET A 99 12.328 54.102 4.721 1.00 31.02 S ATOM 1513 CE MET A 99 14.117 54.021 4.746 1.00 30.21 C ATOM 0 H MET A 99 11.133 50.871 1.788 1.00 15.21 H new ATOM 0 HA MET A 99 8.959 52.726 2.108 1.00 24.22 H new ATOM 0 HB2 MET A 99 9.892 53.098 4.260 1.00 23.44 H new ATOM 0 HB3 MET A 99 10.130 51.393 3.931 1.00 23.44 H new ATOM 0 HG2 MET A 99 12.278 51.718 4.496 1.00 50.31 H new ATOM 0 HG3 MET A 99 12.464 52.505 2.941 1.00 50.31 H new ATOM 0 HE1 MET A 99 14.466 54.008 5.778 1.00 30.21 H new ATOM 0 HE2 MET A 99 14.447 53.114 4.240 1.00 30.21 H new ATOM 0 HE3 MET A 99 14.528 54.892 4.235 1.00 30.21 H new ATOM 1523 N THR A 100 11.694 53.755 0.802 1.00 61.00 N ATOM 1524 CA THR A 100 12.392 54.901 0.235 1.00 45.53 C ATOM 1525 C THR A 100 11.710 55.385 -1.040 1.00 4.11 C ATOM 1526 O THR A 100 11.006 56.394 -1.034 1.00 12.44 O ATOM 1527 CB THR A 100 13.862 54.565 -0.079 1.00 65.11 C ATOM 1528 OG1 THR A 100 13.989 53.176 -0.403 1.00 74.12 O ATOM 1529 CG2 THR A 100 14.758 54.898 1.104 1.00 4.22 C ATOM 0 H THR A 100 12.047 52.850 0.491 1.00 61.00 H new ATOM 0 HA THR A 100 12.360 55.692 0.984 1.00 45.53 H new ATOM 0 HB THR A 100 14.174 55.167 -0.932 1.00 65.11 H new ATOM 0 HG1 THR A 100 14.926 52.971 -0.603 1.00 74.12 H new ATOM 0 HG21 THR A 100 15.791 54.652 0.858 1.00 4.22 H new ATOM 0 HG22 THR A 100 14.682 55.962 1.330 1.00 4.22 H new ATOM 0 HG23 THR A 100 14.444 54.319 1.973 1.00 4.22 H new ATOM 1537 N SER A 101 11.924 54.658 -2.132 1.00 52.31 N ATOM 1538 CA SER A 101 11.332 55.016 -3.416 1.00 34.41 C ATOM 1539 C SER A 101 11.813 54.075 -4.517 1.00 12.23 C ATOM 1540 O SER A 101 11.092 53.805 -5.478 1.00 53.11 O ATOM 1541 CB SER A 101 11.678 56.461 -3.777 1.00 3.33 C ATOM 1542 OG SER A 101 10.527 57.286 -3.741 1.00 55.14 O ATOM 0 H SER A 101 12.502 53.818 -2.153 1.00 52.31 H new ATOM 0 HA SER A 101 10.250 54.921 -3.328 1.00 34.41 H new ATOM 0 HB2 SER A 101 12.425 56.844 -3.082 1.00 3.33 H new ATOM 0 HB3 SER A 101 12.122 56.494 -4.772 1.00 3.33 H new ATOM 0 HG SER A 101 10.192 57.341 -2.822 1.00 55.14 H new ATOM 1548 N LEU A 102 13.036 53.579 -4.369 1.00 44.52 N ATOM 1549 CA LEU A 102 13.616 52.669 -5.350 1.00 62.42 C ATOM 1550 C LEU A 102 13.019 51.271 -5.215 1.00 44.44 C ATOM 1551 O LEU A 102 13.730 50.308 -4.929 1.00 11.44 O ATOM 1552 CB LEU A 102 15.135 52.605 -5.181 1.00 42.32 C ATOM 1553 CG LEU A 102 15.846 53.946 -4.990 1.00 32.31 C ATOM 1554 CD1 LEU A 102 17.275 53.730 -4.519 1.00 25.52 C ATOM 1555 CD2 LEU A 102 15.824 54.750 -6.282 1.00 13.05 C ATOM 0 H LEU A 102 13.645 53.792 -3.579 1.00 44.52 H new ATOM 0 HA LEU A 102 13.383 53.050 -6.344 1.00 62.42 H new ATOM 0 HB2 LEU A 102 15.359 51.972 -4.322 1.00 42.32 H new ATOM 0 HB3 LEU A 102 15.558 52.114 -6.057 1.00 42.32 H new ATOM 0 HG LEU A 102 15.315 54.511 -4.224 1.00 32.31 H new ATOM 0 HD11 LEU A 102 17.765 54.695 -4.389 1.00 25.52 H new ATOM 0 HD12 LEU A 102 17.268 53.195 -3.569 1.00 25.52 H new ATOM 0 HD13 LEU A 102 17.818 53.145 -5.261 1.00 25.52 H new ATOM 0 HD21 LEU A 102 16.334 55.701 -6.128 1.00 13.05 H new ATOM 0 HD22 LEU A 102 16.331 54.190 -7.068 1.00 13.05 H new ATOM 0 HD23 LEU A 102 14.791 54.936 -6.577 1.00 13.05 H new ATOM 1567 N GLN A 103 11.711 51.169 -5.426 1.00 41.51 N ATOM 1568 CA GLN A 103 11.020 49.889 -5.329 1.00 53.44 C ATOM 1569 C GLN A 103 10.859 49.252 -6.706 1.00 25.14 C ATOM 1570 O GLN A 103 11.349 48.149 -6.949 1.00 53.22 O ATOM 1571 CB GLN A 103 9.649 50.074 -4.677 1.00 55.42 C ATOM 1572 CG GLN A 103 8.740 48.863 -4.817 1.00 2.45 C ATOM 1573 CD GLN A 103 8.111 48.451 -3.500 1.00 50.33 C ATOM 1574 OE1 GLN A 103 7.149 49.067 -3.039 1.00 25.11 O ATOM 1575 NE2 GLN A 103 8.651 47.404 -2.888 1.00 3.54 N ATOM 0 H GLN A 103 11.109 51.957 -5.665 1.00 41.51 H new ATOM 0 HA GLN A 103 11.623 49.225 -4.709 1.00 53.44 H new ATOM 0 HB2 GLN A 103 9.786 50.294 -3.618 1.00 55.42 H new ATOM 0 HB3 GLN A 103 9.158 50.940 -5.122 1.00 55.42 H new ATOM 0 HG2 GLN A 103 7.953 49.085 -5.538 1.00 2.45 H new ATOM 0 HG3 GLN A 103 9.313 48.027 -5.219 1.00 2.45 H new ATOM 0 HE21 GLN A 103 9.448 46.924 -3.306 1.00 3.54 H new ATOM 0 HE22 GLN A 103 8.269 47.080 -1.999 1.00 3.54 H new ATOM 1584 N GLN A 104 10.171 49.953 -7.601 1.00 2.14 N ATOM 1585 CA GLN A 104 9.946 49.454 -8.952 1.00 41.01 C ATOM 1586 C GLN A 104 11.265 49.085 -9.623 1.00 41.51 C ATOM 1587 O GLN A 104 11.326 48.150 -10.420 1.00 21.22 O ATOM 1588 CB GLN A 104 9.210 50.501 -9.789 1.00 54.40 C ATOM 1589 CG GLN A 104 9.913 51.848 -9.834 1.00 50.35 C ATOM 1590 CD GLN A 104 10.986 51.910 -10.903 1.00 44.32 C ATOM 1591 OE1 GLN A 104 11.124 50.995 -11.715 1.00 24.53 O ATOM 1592 NE2 GLN A 104 11.754 52.994 -10.909 1.00 60.24 N ATOM 0 H GLN A 104 9.760 50.868 -7.415 1.00 2.14 H new ATOM 0 HA GLN A 104 9.331 48.557 -8.883 1.00 41.01 H new ATOM 0 HB2 GLN A 104 9.096 50.126 -10.806 1.00 54.40 H new ATOM 0 HB3 GLN A 104 8.207 50.637 -9.385 1.00 54.40 H new ATOM 0 HG2 GLN A 104 9.178 52.632 -10.017 1.00 50.35 H new ATOM 0 HG3 GLN A 104 10.362 52.052 -8.862 1.00 50.35 H new ATOM 0 HE21 GLN A 104 11.605 53.729 -10.217 1.00 60.24 H new ATOM 0 HE22 GLN A 104 12.493 53.092 -11.605 1.00 60.24 H new ATOM 1601 N GLU A 105 12.318 49.828 -9.295 1.00 60.13 N ATOM 1602 CA GLU A 105 13.636 49.579 -9.868 1.00 74.21 C ATOM 1603 C GLU A 105 14.021 48.109 -9.728 1.00 73.10 C ATOM 1604 O GLU A 105 14.242 47.416 -10.722 1.00 11.52 O ATOM 1605 CB GLU A 105 14.686 50.460 -9.189 1.00 24.42 C ATOM 1606 CG GLU A 105 14.750 51.872 -9.747 1.00 31.54 C ATOM 1607 CD GLU A 105 16.117 52.505 -9.577 1.00 21.11 C ATOM 1608 OE1 GLU A 105 16.944 51.939 -8.831 1.00 12.20 O ATOM 1609 OE2 GLU A 105 16.360 53.566 -10.189 1.00 64.52 O ATOM 0 H GLU A 105 12.284 50.606 -8.636 1.00 60.13 H new ATOM 0 HA GLU A 105 13.596 49.826 -10.929 1.00 74.21 H new ATOM 0 HB2 GLU A 105 14.471 50.510 -8.122 1.00 24.42 H new ATOM 0 HB3 GLU A 105 15.665 49.992 -9.295 1.00 24.42 H new ATOM 0 HG2 GLU A 105 14.492 51.852 -10.806 1.00 31.54 H new ATOM 0 HG3 GLU A 105 14.003 52.490 -9.248 1.00 31.54 H new ATOM 1616 N TYR A 106 14.099 47.640 -8.488 1.00 24.22 N ATOM 1617 CA TYR A 106 14.461 46.254 -8.216 1.00 74.54 C ATOM 1618 C TYR A 106 13.551 45.294 -8.978 1.00 14.43 C ATOM 1619 O TYR A 106 14.002 44.277 -9.504 1.00 72.01 O ATOM 1620 CB TYR A 106 14.380 45.968 -6.716 1.00 21.11 C ATOM 1621 CG TYR A 106 13.804 44.609 -6.388 1.00 53.03 C ATOM 1622 CD1 TYR A 106 14.619 43.486 -6.315 1.00 40.22 C ATOM 1623 CD2 TYR A 106 12.444 44.448 -6.153 1.00 20.52 C ATOM 1624 CE1 TYR A 106 14.097 42.242 -6.017 1.00 12.41 C ATOM 1625 CE2 TYR A 106 11.913 43.208 -5.852 1.00 44.03 C ATOM 1626 CZ TYR A 106 12.744 42.109 -5.786 1.00 33.42 C ATOM 1627 OH TYR A 106 12.219 40.872 -5.488 1.00 73.12 O ATOM 0 H TYR A 106 13.916 48.199 -7.655 1.00 24.22 H new ATOM 0 HA TYR A 106 15.486 46.100 -8.553 1.00 74.54 H new ATOM 0 HB2 TYR A 106 15.379 46.043 -6.286 1.00 21.11 H new ATOM 0 HB3 TYR A 106 13.770 46.736 -6.241 1.00 21.11 H new ATOM 0 HD1 TYR A 106 15.679 43.587 -6.494 1.00 40.22 H new ATOM 0 HD2 TYR A 106 11.791 45.306 -6.206 1.00 20.52 H new ATOM 0 HE1 TYR A 106 14.744 41.379 -5.965 1.00 12.41 H new ATOM 0 HE2 TYR A 106 10.854 43.100 -5.670 1.00 44.03 H new ATOM 0 HH TYR A 106 12.183 40.327 -6.302 1.00 73.12 H new ATOM 1637 N LYS A 107 12.265 45.627 -9.032 1.00 63.32 N ATOM 1638 CA LYS A 107 11.289 44.798 -9.730 1.00 2.11 C ATOM 1639 C LYS A 107 11.617 44.707 -11.217 1.00 31.22 C ATOM 1640 O LYS A 107 11.494 43.644 -11.826 1.00 54.24 O ATOM 1641 CB LYS A 107 9.880 45.365 -9.541 1.00 44.21 C ATOM 1642 CG LYS A 107 9.550 45.705 -8.098 1.00 73.21 C ATOM 1643 CD LYS A 107 8.115 45.342 -7.755 1.00 32.45 C ATOM 1644 CE LYS A 107 7.947 45.083 -6.265 1.00 72.52 C ATOM 1645 NZ LYS A 107 7.134 46.142 -5.606 1.00 41.11 N ATOM 0 H LYS A 107 11.875 46.465 -8.601 1.00 63.32 H new ATOM 0 HA LYS A 107 11.330 43.795 -9.305 1.00 2.11 H new ATOM 0 HB2 LYS A 107 9.774 46.262 -10.150 1.00 44.21 H new ATOM 0 HB3 LYS A 107 9.154 44.641 -9.910 1.00 44.21 H new ATOM 0 HG2 LYS A 107 10.230 45.173 -7.433 1.00 73.21 H new ATOM 0 HG3 LYS A 107 9.707 46.770 -7.929 1.00 73.21 H new ATOM 0 HD2 LYS A 107 7.451 46.150 -8.062 1.00 32.45 H new ATOM 0 HD3 LYS A 107 7.819 44.455 -8.315 1.00 32.45 H new ATOM 0 HE2 LYS A 107 7.470 44.114 -6.116 1.00 72.52 H new ATOM 0 HE3 LYS A 107 8.928 45.032 -5.793 1.00 72.52 H new ATOM 0 HZ1 LYS A 107 7.341 46.155 -4.587 1.00 41.11 H new ATOM 0 HZ2 LYS A 107 7.369 47.067 -6.019 1.00 41.11 H new ATOM 0 HZ3 LYS A 107 6.123 45.945 -5.751 1.00 41.11 H new ATOM 1659 N LYS A 108 12.036 45.827 -11.795 1.00 63.04 N ATOM 1660 CA LYS A 108 12.385 45.874 -13.210 1.00 71.35 C ATOM 1661 C LYS A 108 13.567 44.958 -13.510 1.00 60.51 C ATOM 1662 O LYS A 108 13.447 44.009 -14.286 1.00 3.54 O ATOM 1663 CB LYS A 108 12.719 47.308 -13.628 1.00 32.35 C ATOM 1664 CG LYS A 108 11.528 48.250 -13.574 1.00 64.41 C ATOM 1665 CD LYS A 108 10.957 48.505 -14.959 1.00 31.03 C ATOM 1666 CE LYS A 108 9.824 47.543 -15.280 1.00 74.20 C ATOM 1667 NZ LYS A 108 9.416 47.624 -16.710 1.00 32.10 N ATOM 0 H LYS A 108 12.142 46.715 -11.305 1.00 63.04 H new ATOM 0 HA LYS A 108 11.524 45.527 -13.782 1.00 71.35 H new ATOM 0 HB2 LYS A 108 13.506 47.693 -12.979 1.00 32.35 H new ATOM 0 HB3 LYS A 108 13.118 47.298 -14.642 1.00 32.35 H new ATOM 0 HG2 LYS A 108 10.755 47.825 -12.933 1.00 64.41 H new ATOM 0 HG3 LYS A 108 11.831 49.196 -13.124 1.00 64.41 H new ATOM 0 HD2 LYS A 108 10.593 49.531 -15.021 1.00 31.03 H new ATOM 0 HD3 LYS A 108 11.746 48.401 -15.704 1.00 31.03 H new ATOM 0 HE2 LYS A 108 10.136 46.525 -15.048 1.00 74.20 H new ATOM 0 HE3 LYS A 108 8.967 47.766 -14.645 1.00 74.20 H new ATOM 0 HZ1 LYS A 108 8.642 46.953 -16.889 1.00 32.10 H new ATOM 0 HZ2 LYS A 108 9.094 48.589 -16.925 1.00 32.10 H new ATOM 0 HZ3 LYS A 108 10.227 47.386 -17.316 1.00 32.10 H new ATOM 1681 N GLN A 109 14.706 45.247 -12.890 1.00 22.34 N ATOM 1682 CA GLN A 109 15.909 44.447 -13.090 1.00 41.53 C ATOM 1683 C GLN A 109 15.638 42.974 -12.803 1.00 40.33 C ATOM 1684 O GLN A 109 16.015 42.101 -13.583 1.00 63.54 O ATOM 1685 CB GLN A 109 17.039 44.955 -12.193 1.00 24.50 C ATOM 1686 CG GLN A 109 16.651 45.061 -10.727 1.00 65.50 C ATOM 1687 CD GLN A 109 17.537 46.020 -9.957 1.00 11.21 C ATOM 1688 OE1 GLN A 109 18.565 45.627 -9.404 1.00 51.45 O ATOM 1689 NE2 GLN A 109 17.142 47.287 -9.916 1.00 40.42 N ATOM 0 H GLN A 109 14.822 46.029 -12.245 1.00 22.34 H new ATOM 0 HA GLN A 109 16.211 44.545 -14.133 1.00 41.53 H new ATOM 0 HB2 GLN A 109 17.894 44.286 -12.286 1.00 24.50 H new ATOM 0 HB3 GLN A 109 17.360 45.935 -12.547 1.00 24.50 H new ATOM 0 HG2 GLN A 109 15.615 45.390 -10.652 1.00 65.50 H new ATOM 0 HG3 GLN A 109 16.706 44.074 -10.268 1.00 65.50 H new ATOM 0 HE21 GLN A 109 16.283 47.569 -10.389 1.00 40.42 H new ATOM 0 HE22 GLN A 109 17.697 47.978 -9.412 1.00 40.42 H new ATOM 1698 N MET A 110 14.982 42.707 -11.679 1.00 22.42 N ATOM 1699 CA MET A 110 14.660 41.339 -11.290 1.00 21.44 C ATOM 1700 C MET A 110 13.763 40.674 -12.329 1.00 41.53 C ATOM 1701 O MET A 110 13.920 39.491 -12.635 1.00 11.54 O ATOM 1702 CB MET A 110 13.974 41.323 -9.922 1.00 61.32 C ATOM 1703 CG MET A 110 14.033 39.972 -9.228 1.00 60.54 C ATOM 1704 SD MET A 110 12.401 39.350 -8.778 1.00 44.12 S ATOM 1705 CE MET A 110 11.631 39.223 -10.390 1.00 53.51 C ATOM 0 H MET A 110 14.663 43.419 -11.022 1.00 22.42 H new ATOM 0 HA MET A 110 15.592 40.777 -11.228 1.00 21.44 H new ATOM 0 HB2 MET A 110 14.441 42.072 -9.282 1.00 61.32 H new ATOM 0 HB3 MET A 110 12.931 41.614 -10.044 1.00 61.32 H new ATOM 0 HG2 MET A 110 14.524 39.252 -9.883 1.00 60.54 H new ATOM 0 HG3 MET A 110 14.646 40.055 -8.330 1.00 60.54 H new ATOM 0 HE1 MET A 110 10.703 38.657 -10.306 1.00 53.51 H new ATOM 0 HE2 MET A 110 11.414 40.222 -10.769 1.00 53.51 H new ATOM 0 HE3 MET A 110 12.306 38.713 -11.077 1.00 53.51 H new ATOM 1715 N LEU A 111 12.823 41.442 -12.870 1.00 21.13 N ATOM 1716 CA LEU A 111 11.900 40.928 -13.876 1.00 22.53 C ATOM 1717 C LEU A 111 12.657 40.246 -15.011 1.00 41.44 C ATOM 1718 O LEU A 111 12.316 39.137 -15.422 1.00 63.51 O ATOM 1719 CB LEU A 111 11.036 42.061 -14.431 1.00 44.20 C ATOM 1720 CG LEU A 111 9.541 41.979 -14.122 1.00 61.10 C ATOM 1721 CD1 LEU A 111 8.794 43.122 -14.792 1.00 30.25 C ATOM 1722 CD2 LEU A 111 8.978 40.637 -14.568 1.00 15.45 C ATOM 0 H LEU A 111 12.680 42.423 -12.629 1.00 21.13 H new ATOM 0 HA LEU A 111 11.256 40.190 -13.399 1.00 22.53 H new ATOM 0 HB2 LEU A 111 11.416 43.005 -14.041 1.00 44.20 H new ATOM 0 HB3 LEU A 111 11.162 42.090 -15.513 1.00 44.20 H new ATOM 0 HG LEU A 111 9.406 42.067 -13.044 1.00 61.10 H new ATOM 0 HD11 LEU A 111 7.731 43.047 -14.561 1.00 30.25 H new ATOM 0 HD12 LEU A 111 9.179 44.073 -14.425 1.00 30.25 H new ATOM 0 HD13 LEU A 111 8.935 43.066 -15.871 1.00 30.25 H new ATOM 0 HD21 LEU A 111 7.913 40.596 -14.341 1.00 15.45 H new ATOM 0 HD22 LEU A 111 9.125 40.520 -15.642 1.00 15.45 H new ATOM 0 HD23 LEU A 111 9.493 39.833 -14.042 1.00 15.45 H new ATOM 1734 N THR A 112 13.688 40.918 -15.515 1.00 24.32 N ATOM 1735 CA THR A 112 14.495 40.377 -16.602 1.00 54.50 C ATOM 1736 C THR A 112 15.170 39.074 -16.191 1.00 1.33 C ATOM 1737 O THR A 112 15.103 38.076 -16.907 1.00 41.35 O ATOM 1738 CB THR A 112 15.573 41.381 -17.054 1.00 75.33 C ATOM 1739 OG1 THR A 112 15.003 42.688 -17.181 1.00 15.20 O ATOM 1740 CG2 THR A 112 16.183 40.957 -18.382 1.00 0.33 C ATOM 0 H THR A 112 13.984 41.838 -15.188 1.00 24.32 H new ATOM 0 HA THR A 112 13.817 40.184 -17.433 1.00 54.50 H new ATOM 0 HB THR A 112 16.360 41.400 -16.300 1.00 75.33 H new ATOM 0 HG1 THR A 112 15.695 43.320 -17.467 1.00 15.20 H new ATOM 0 HG21 THR A 112 16.941 41.680 -18.682 1.00 0.33 H new ATOM 0 HG22 THR A 112 16.642 39.974 -18.274 1.00 0.33 H new ATOM 0 HG23 THR A 112 15.404 40.912 -19.143 1.00 0.33 H new ATOM 1748 N ALA A 113 15.820 39.090 -15.032 1.00 2.44 N ATOM 1749 CA ALA A 113 16.506 37.909 -14.524 1.00 34.53 C ATOM 1750 C ALA A 113 15.547 36.729 -14.399 1.00 1.20 C ATOM 1751 O ALA A 113 15.795 35.655 -14.946 1.00 22.03 O ATOM 1752 CB ALA A 113 17.152 38.210 -13.180 1.00 2.11 C ATOM 0 H ALA A 113 15.886 39.909 -14.427 1.00 2.44 H new ATOM 0 HA ALA A 113 17.285 37.638 -15.236 1.00 34.53 H new ATOM 0 HB1 ALA A 113 17.661 37.319 -12.813 1.00 2.11 H new ATOM 0 HB2 ALA A 113 17.874 39.018 -13.296 1.00 2.11 H new ATOM 0 HB3 ALA A 113 16.384 38.509 -12.466 1.00 2.11 H new ATOM 1758 N ALA A 114 14.452 36.937 -13.676 1.00 33.15 N ATOM 1759 CA ALA A 114 13.455 35.891 -13.480 1.00 65.13 C ATOM 1760 C ALA A 114 12.956 35.352 -14.817 1.00 10.34 C ATOM 1761 O ALA A 114 12.523 34.203 -14.912 1.00 11.45 O ATOM 1762 CB ALA A 114 12.292 36.418 -12.653 1.00 61.14 C ATOM 0 H ALA A 114 14.232 37.820 -13.216 1.00 33.15 H new ATOM 0 HA ALA A 114 13.926 35.070 -12.940 1.00 65.13 H new ATOM 0 HB1 ALA A 114 11.556 35.626 -12.515 1.00 61.14 H new ATOM 0 HB2 ALA A 114 12.657 36.748 -11.680 1.00 61.14 H new ATOM 0 HB3 ALA A 114 11.829 37.258 -13.170 1.00 61.14 H new ATOM 1768 N HIS A 115 13.018 36.189 -15.847 1.00 42.34 N ATOM 1769 CA HIS A 115 12.572 35.796 -17.179 1.00 53.43 C ATOM 1770 C HIS A 115 13.424 34.654 -17.723 1.00 44.22 C ATOM 1771 O HIS A 115 12.911 33.585 -18.050 1.00 72.24 O ATOM 1772 CB HIS A 115 12.630 36.990 -18.133 1.00 12.55 C ATOM 1773 CG HIS A 115 11.491 37.037 -19.105 1.00 24.24 C ATOM 1774 ND1 HIS A 115 10.171 36.934 -18.722 1.00 74.11 N ATOM 1775 CD2 HIS A 115 11.482 37.178 -20.451 1.00 31.23 C ATOM 1776 CE1 HIS A 115 9.398 37.008 -19.791 1.00 71.21 C ATOM 1777 NE2 HIS A 115 10.169 37.157 -20.853 1.00 61.51 N ATOM 0 H HIS A 115 13.373 37.143 -15.785 1.00 42.34 H new ATOM 0 HA HIS A 115 11.541 35.452 -17.102 1.00 53.43 H new ATOM 0 HB2 HIS A 115 12.637 37.911 -17.549 1.00 12.55 H new ATOM 0 HB3 HIS A 115 13.568 36.957 -18.687 1.00 12.55 H new ATOM 0 HD2 HIS A 115 12.346 37.287 -21.090 1.00 31.23 H new ATOM 0 HE1 HIS A 115 8.319 36.956 -19.796 1.00 71.21 H new ATOM 0 HE2 HIS A 115 9.842 37.243 -21.815 1.00 61.51 H new ATOM 1785 N ALA A 116 14.729 34.889 -17.817 1.00 41.05 N ATOM 1786 CA ALA A 116 15.653 33.880 -18.320 1.00 74.34 C ATOM 1787 C ALA A 116 15.616 32.623 -17.457 1.00 3.42 C ATOM 1788 O ALA A 116 15.650 31.504 -17.970 1.00 34.14 O ATOM 1789 CB ALA A 116 17.066 34.440 -18.381 1.00 13.54 C ATOM 0 H ALA A 116 15.170 35.770 -17.551 1.00 41.05 H new ATOM 0 HA ALA A 116 15.340 33.607 -19.328 1.00 74.34 H new ATOM 0 HB1 ALA A 116 17.745 33.675 -18.758 1.00 13.54 H new ATOM 0 HB2 ALA A 116 17.087 35.304 -19.046 1.00 13.54 H new ATOM 0 HB3 ALA A 116 17.381 34.743 -17.382 1.00 13.54 H new ATOM 1795 N LEU A 117 15.549 32.815 -16.144 1.00 53.41 N ATOM 1796 CA LEU A 117 15.509 31.697 -15.208 1.00 74.14 C ATOM 1797 C LEU A 117 14.346 30.762 -15.526 1.00 53.43 C ATOM 1798 O LEU A 117 14.526 29.551 -15.650 1.00 13.34 O ATOM 1799 CB LEU A 117 15.387 32.211 -13.773 1.00 15.40 C ATOM 1800 CG LEU A 117 15.838 31.248 -12.674 1.00 55.52 C ATOM 1801 CD1 LEU A 117 14.888 30.064 -12.580 1.00 1.24 C ATOM 1802 CD2 LEU A 117 17.260 30.774 -12.932 1.00 5.45 C ATOM 0 H LEU A 117 15.521 33.735 -15.704 1.00 53.41 H new ATOM 0 HA LEU A 117 16.439 31.138 -15.309 1.00 74.14 H new ATOM 0 HB2 LEU A 117 15.970 33.128 -13.686 1.00 15.40 H new ATOM 0 HB3 LEU A 117 14.346 32.476 -13.591 1.00 15.40 H new ATOM 0 HG LEU A 117 15.820 31.778 -11.722 1.00 55.52 H new ATOM 0 HD11 LEU A 117 15.224 29.389 -11.793 1.00 1.24 H new ATOM 0 HD12 LEU A 117 13.884 30.420 -12.348 1.00 1.24 H new ATOM 0 HD13 LEU A 117 14.873 29.533 -13.532 1.00 1.24 H new ATOM 0 HD21 LEU A 117 17.565 30.090 -12.140 1.00 5.45 H new ATOM 0 HD22 LEU A 117 17.304 30.260 -13.892 1.00 5.45 H new ATOM 0 HD23 LEU A 117 17.932 31.632 -12.948 1.00 5.45 H new ATOM 1814 N ALA A 118 13.153 31.334 -15.660 1.00 4.02 N ATOM 1815 CA ALA A 118 11.962 30.553 -15.968 1.00 31.13 C ATOM 1816 C ALA A 118 12.193 29.652 -17.176 1.00 64.10 C ATOM 1817 O ALA A 118 11.893 28.459 -17.140 1.00 20.52 O ATOM 1818 CB ALA A 118 10.776 31.474 -16.213 1.00 71.12 C ATOM 0 H ALA A 118 12.987 32.335 -15.560 1.00 4.02 H new ATOM 0 HA ALA A 118 11.743 29.917 -15.110 1.00 31.13 H new ATOM 0 HB1 ALA A 118 9.893 30.877 -16.442 1.00 71.12 H new ATOM 0 HB2 ALA A 118 10.589 32.071 -15.321 1.00 71.12 H new ATOM 0 HB3 ALA A 118 10.995 32.134 -17.052 1.00 71.12 H new ATOM 1824 N VAL A 119 12.729 30.231 -18.246 1.00 74.33 N ATOM 1825 CA VAL A 119 13.001 29.480 -19.466 1.00 33.41 C ATOM 1826 C VAL A 119 13.840 28.241 -19.173 1.00 11.01 C ATOM 1827 O VAL A 119 13.650 27.190 -19.786 1.00 13.40 O ATOM 1828 CB VAL A 119 13.732 30.347 -20.508 1.00 32.11 C ATOM 1829 CG1 VAL A 119 14.133 29.510 -21.713 1.00 74.20 C ATOM 1830 CG2 VAL A 119 12.860 31.520 -20.929 1.00 45.45 C ATOM 0 H VAL A 119 12.983 31.218 -18.293 1.00 74.33 H new ATOM 0 HA VAL A 119 12.036 29.175 -19.871 1.00 33.41 H new ATOM 0 HB VAL A 119 14.640 30.743 -20.054 1.00 32.11 H new ATOM 0 HG11 VAL A 119 14.648 30.140 -22.438 1.00 74.20 H new ATOM 0 HG12 VAL A 119 14.797 28.707 -21.393 1.00 74.20 H new ATOM 0 HG13 VAL A 119 13.242 29.083 -22.172 1.00 74.20 H new ATOM 0 HG21 VAL A 119 13.391 32.123 -21.666 1.00 45.45 H new ATOM 0 HG22 VAL A 119 11.934 31.147 -21.366 1.00 45.45 H new ATOM 0 HG23 VAL A 119 12.629 32.133 -20.058 1.00 45.45 H new ATOM 1840 N ASP A 120 14.768 28.371 -18.232 1.00 3.42 N ATOM 1841 CA ASP A 120 15.637 27.262 -17.855 1.00 73.14 C ATOM 1842 C ASP A 120 14.818 26.081 -17.344 1.00 22.33 C ATOM 1843 O ASP A 120 14.962 24.958 -17.826 1.00 61.21 O ATOM 1844 CB ASP A 120 16.635 27.708 -16.786 1.00 62.12 C ATOM 1845 CG ASP A 120 18.036 27.191 -17.051 1.00 12.35 C ATOM 1846 OD1 ASP A 120 18.165 26.147 -17.722 1.00 25.42 O ATOM 1847 OD2 ASP A 120 19.002 27.831 -16.585 1.00 43.43 O ATOM 0 H ASP A 120 14.938 29.234 -17.716 1.00 3.42 H new ATOM 0 HA ASP A 120 16.186 26.944 -18.742 1.00 73.14 H new ATOM 0 HB2 ASP A 120 16.655 28.797 -16.743 1.00 62.12 H new ATOM 0 HB3 ASP A 120 16.299 27.356 -15.810 1.00 62.12 H new ATOM 1852 N ALA A 121 13.960 26.342 -16.363 1.00 41.42 N ATOM 1853 CA ALA A 121 13.118 25.301 -15.787 1.00 2.53 C ATOM 1854 C ALA A 121 12.371 24.535 -16.873 1.00 44.12 C ATOM 1855 O ALA A 121 12.157 23.328 -16.760 1.00 72.04 O ATOM 1856 CB ALA A 121 12.136 25.906 -14.795 1.00 11.33 C ATOM 0 H ALA A 121 13.830 27.266 -15.951 1.00 41.42 H new ATOM 0 HA ALA A 121 13.762 24.597 -15.261 1.00 2.53 H new ATOM 0 HB1 ALA A 121 11.513 25.117 -14.372 1.00 11.33 H new ATOM 0 HB2 ALA A 121 12.686 26.402 -13.995 1.00 11.33 H new ATOM 0 HB3 ALA A 121 11.504 26.633 -15.306 1.00 11.33 H new ATOM 1862 N LYS A 122 11.977 25.244 -17.926 1.00 34.45 N ATOM 1863 CA LYS A 122 11.254 24.631 -19.034 1.00 32.23 C ATOM 1864 C LYS A 122 12.193 23.799 -19.902 1.00 54.41 C ATOM 1865 O LYS A 122 11.866 22.678 -20.289 1.00 14.25 O ATOM 1866 CB LYS A 122 10.575 25.707 -19.884 1.00 35.23 C ATOM 1867 CG LYS A 122 9.190 25.314 -20.370 1.00 21.03 C ATOM 1868 CD LYS A 122 8.860 25.968 -21.701 1.00 12.53 C ATOM 1869 CE LYS A 122 8.330 24.955 -22.704 1.00 0.32 C ATOM 1870 NZ LYS A 122 7.419 25.585 -23.699 1.00 71.34 N ATOM 0 H LYS A 122 12.146 26.244 -18.035 1.00 34.45 H new ATOM 0 HA LYS A 122 10.492 23.971 -18.618 1.00 32.23 H new ATOM 0 HB2 LYS A 122 10.499 26.625 -19.301 1.00 35.23 H new ATOM 0 HB3 LYS A 122 11.204 25.928 -20.746 1.00 35.23 H new ATOM 0 HG2 LYS A 122 9.133 24.230 -20.472 1.00 21.03 H new ATOM 0 HG3 LYS A 122 8.447 25.604 -19.627 1.00 21.03 H new ATOM 0 HD2 LYS A 122 8.119 26.752 -21.548 1.00 12.53 H new ATOM 0 HD3 LYS A 122 9.753 26.447 -22.103 1.00 12.53 H new ATOM 0 HE2 LYS A 122 9.166 24.486 -23.223 1.00 0.32 H new ATOM 0 HE3 LYS A 122 7.799 24.164 -22.175 1.00 0.32 H new ATOM 0 HZ1 LYS A 122 7.079 24.862 -24.365 1.00 71.34 H new ATOM 0 HZ2 LYS A 122 6.608 26.011 -23.206 1.00 71.34 H new ATOM 0 HZ3 LYS A 122 7.933 26.323 -24.222 1.00 71.34 H new ATOM 1884 N ASN A 123 13.361 24.357 -20.204 1.00 31.40 N ATOM 1885 CA ASN A 123 14.348 23.665 -21.026 1.00 54.52 C ATOM 1886 C ASN A 123 14.732 22.327 -20.404 1.00 24.31 C ATOM 1887 O ASN A 123 15.192 21.417 -21.096 1.00 11.11 O ATOM 1888 CB ASN A 123 15.594 24.535 -21.203 1.00 53.33 C ATOM 1889 CG ASN A 123 15.280 25.869 -21.853 1.00 1.32 C ATOM 1890 OD1 ASN A 123 14.214 26.051 -22.441 1.00 31.50 O ATOM 1891 ND2 ASN A 123 16.211 26.811 -21.749 1.00 53.01 N ATOM 0 H ASN A 123 13.647 25.285 -19.892 1.00 31.40 H new ATOM 0 HA ASN A 123 13.903 23.476 -22.003 1.00 54.52 H new ATOM 0 HB2 ASN A 123 16.055 24.707 -20.230 1.00 53.33 H new ATOM 0 HB3 ASN A 123 16.324 24.000 -21.811 1.00 53.33 H new ATOM 0 HD21 ASN A 123 16.056 27.729 -22.166 1.00 53.01 H new ATOM 0 HD22 ASN A 123 17.080 26.616 -21.252 1.00 53.01 H new ATOM 1898 N LEU A 124 14.541 22.213 -19.094 1.00 65.33 N ATOM 1899 CA LEU A 124 14.868 20.985 -18.378 1.00 33.35 C ATOM 1900 C LEU A 124 14.234 19.774 -19.055 1.00 51.01 C ATOM 1901 O LEU A 124 14.932 18.917 -19.599 1.00 0.03 O ATOM 1902 CB LEU A 124 14.394 21.077 -16.926 1.00 2.01 C ATOM 1903 CG LEU A 124 15.082 22.135 -16.062 1.00 33.44 C ATOM 1904 CD1 LEU A 124 14.609 22.035 -14.619 1.00 65.25 C ATOM 1905 CD2 LEU A 124 16.594 21.987 -16.141 1.00 2.21 C ATOM 0 H LEU A 124 14.162 22.956 -18.507 1.00 65.33 H new ATOM 0 HA LEU A 124 15.951 20.862 -18.394 1.00 33.35 H new ATOM 0 HB2 LEU A 124 13.323 21.277 -16.926 1.00 2.01 H new ATOM 0 HB3 LEU A 124 14.536 20.104 -16.456 1.00 2.01 H new ATOM 0 HG LEU A 124 14.813 23.120 -16.444 1.00 33.44 H new ATOM 0 HD11 LEU A 124 15.109 22.795 -14.019 1.00 65.25 H new ATOM 0 HD12 LEU A 124 13.531 22.191 -14.578 1.00 65.25 H new ATOM 0 HD13 LEU A 124 14.848 21.047 -14.225 1.00 65.25 H new ATOM 0 HD21 LEU A 124 17.067 22.748 -15.520 1.00 2.21 H new ATOM 0 HD22 LEU A 124 16.882 20.998 -15.785 1.00 2.21 H new ATOM 0 HD23 LEU A 124 16.918 22.109 -17.175 1.00 2.21 H new ATOM 1917 N LEU A 125 12.907 19.711 -19.021 1.00 24.41 N ATOM 1918 CA LEU A 125 12.178 18.606 -19.634 1.00 22.32 C ATOM 1919 C LEU A 125 12.146 18.750 -21.152 1.00 11.31 C ATOM 1920 O LEU A 125 12.090 17.758 -21.879 1.00 1.31 O ATOM 1921 CB LEU A 125 10.752 18.544 -19.085 1.00 75.25 C ATOM 1922 CG LEU A 125 10.179 17.144 -18.860 1.00 62.12 C ATOM 1923 CD1 LEU A 125 9.190 17.151 -17.705 1.00 54.34 C ATOM 1924 CD2 LEU A 125 9.517 16.628 -20.129 1.00 72.03 C ATOM 0 H LEU A 125 12.314 20.412 -18.576 1.00 24.41 H new ATOM 0 HA LEU A 125 12.696 17.679 -19.387 1.00 22.32 H new ATOM 0 HB2 LEU A 125 10.725 19.082 -18.138 1.00 75.25 H new ATOM 0 HB3 LEU A 125 10.096 19.077 -19.773 1.00 75.25 H new ATOM 0 HG LEU A 125 10.999 16.474 -18.604 1.00 62.12 H new ATOM 0 HD11 LEU A 125 8.793 16.146 -17.560 1.00 54.34 H new ATOM 0 HD12 LEU A 125 9.695 17.476 -16.796 1.00 54.34 H new ATOM 0 HD13 LEU A 125 8.372 17.835 -17.930 1.00 54.34 H new ATOM 0 HD21 LEU A 125 9.115 15.631 -19.950 1.00 72.03 H new ATOM 0 HD22 LEU A 125 8.708 17.299 -20.416 1.00 72.03 H new ATOM 0 HD23 LEU A 125 10.253 16.584 -20.931 1.00 72.03 H new ATOM 1936 N ASP A 126 12.183 19.992 -21.624 1.00 24.44 N ATOM 1937 CA ASP A 126 12.162 20.266 -23.056 1.00 12.34 C ATOM 1938 C ASP A 126 13.324 19.573 -23.760 1.00 20.24 C ATOM 1939 O ASP A 126 13.153 18.977 -24.823 1.00 50.55 O ATOM 1940 CB ASP A 126 12.222 21.774 -23.308 1.00 64.54 C ATOM 1941 CG ASP A 126 11.647 22.158 -24.657 1.00 71.02 C ATOM 1942 OD1 ASP A 126 12.383 22.072 -25.663 1.00 13.41 O ATOM 1943 OD2 ASP A 126 10.460 22.544 -24.707 1.00 64.44 O ATOM 0 H ASP A 126 12.228 20.824 -21.036 1.00 24.44 H new ATOM 0 HA ASP A 126 11.230 19.874 -23.463 1.00 12.34 H new ATOM 0 HB2 ASP A 126 11.674 22.293 -22.522 1.00 64.54 H new ATOM 0 HB3 ASP A 126 13.258 22.109 -23.249 1.00 64.54 H new ATOM 1948 N VAL A 127 14.507 19.655 -23.159 1.00 41.10 N ATOM 1949 CA VAL A 127 15.698 19.036 -23.728 1.00 70.40 C ATOM 1950 C VAL A 127 15.659 17.520 -23.567 1.00 44.11 C ATOM 1951 O VAL A 127 15.695 16.780 -24.551 1.00 0.32 O ATOM 1952 CB VAL A 127 16.981 19.578 -23.071 1.00 42.12 C ATOM 1953 CG1 VAL A 127 18.207 18.877 -23.635 1.00 65.12 C ATOM 1954 CG2 VAL A 127 17.082 21.084 -23.264 1.00 21.35 C ATOM 0 H VAL A 127 14.666 20.144 -22.278 1.00 41.10 H new ATOM 0 HA VAL A 127 15.709 19.286 -24.789 1.00 70.40 H new ATOM 0 HB VAL A 127 16.935 19.373 -22.001 1.00 42.12 H new ATOM 0 HG11 VAL A 127 19.104 19.273 -23.159 1.00 65.12 H new ATOM 0 HG12 VAL A 127 18.136 17.807 -23.441 1.00 65.12 H new ATOM 0 HG13 VAL A 127 18.261 19.048 -24.710 1.00 65.12 H new ATOM 0 HG21 VAL A 127 17.994 21.451 -22.794 1.00 21.35 H new ATOM 0 HG22 VAL A 127 17.105 21.314 -24.329 1.00 21.35 H new ATOM 0 HG23 VAL A 127 16.219 21.568 -22.807 1.00 21.35 H new ATOM 1964 N ILE A 128 15.586 17.065 -22.321 1.00 71.30 N ATOM 1965 CA ILE A 128 15.541 15.637 -22.031 1.00 73.14 C ATOM 1966 C ILE A 128 14.429 14.951 -22.819 1.00 2.23 C ATOM 1967 O ILE A 128 14.504 13.756 -23.105 1.00 53.23 O ATOM 1968 CB ILE A 128 15.328 15.374 -20.529 1.00 32.40 C ATOM 1969 CG1 ILE A 128 15.833 13.978 -20.157 1.00 34.00 C ATOM 1970 CG2 ILE A 128 13.858 15.525 -20.168 1.00 33.22 C ATOM 1971 CD1 ILE A 128 16.272 13.859 -18.714 1.00 72.14 C ATOM 0 H ILE A 128 15.557 17.664 -21.496 1.00 71.30 H new ATOM 0 HA ILE A 128 16.504 15.223 -22.331 1.00 73.14 H new ATOM 0 HB ILE A 128 15.898 16.109 -19.962 1.00 32.40 H new ATOM 0 HG12 ILE A 128 15.043 13.252 -20.349 1.00 34.00 H new ATOM 0 HG13 ILE A 128 16.670 13.718 -20.806 1.00 34.00 H new ATOM 0 HG21 ILE A 128 13.724 15.336 -19.103 1.00 33.22 H new ATOM 0 HG22 ILE A 128 13.528 16.537 -20.401 1.00 33.22 H new ATOM 0 HG23 ILE A 128 13.267 14.810 -20.741 1.00 33.22 H new ATOM 0 HD11 ILE A 128 16.618 12.843 -18.521 1.00 72.14 H new ATOM 0 HD12 ILE A 128 17.083 14.561 -18.521 1.00 72.14 H new ATOM 0 HD13 ILE A 128 15.432 14.087 -18.058 1.00 72.14 H new ATOM 1983 N ASP A 129 13.400 15.716 -23.167 1.00 22.21 N ATOM 1984 CA ASP A 129 12.274 15.183 -23.924 1.00 54.13 C ATOM 1985 C ASP A 129 12.748 14.537 -25.222 1.00 42.22 C ATOM 1986 O ASP A 129 12.293 13.455 -25.590 1.00 32.41 O ATOM 1987 CB ASP A 129 11.267 16.293 -24.231 1.00 1.23 C ATOM 1988 CG ASP A 129 10.117 16.320 -23.244 1.00 14.22 C ATOM 1989 OD1 ASP A 129 9.700 15.235 -22.787 1.00 62.45 O ATOM 1990 OD2 ASP A 129 9.633 17.427 -22.927 1.00 22.01 O ATOM 0 H ASP A 129 13.323 16.707 -22.937 1.00 22.21 H new ATOM 0 HA ASP A 129 11.788 14.420 -23.316 1.00 54.13 H new ATOM 0 HB2 ASP A 129 11.777 17.256 -24.217 1.00 1.23 H new ATOM 0 HB3 ASP A 129 10.874 16.155 -25.238 1.00 1.23 H new ATOM 1995 N GLN A 130 13.664 15.210 -25.911 1.00 64.44 N ATOM 1996 CA GLN A 130 14.199 14.701 -27.169 1.00 53.33 C ATOM 1997 C GLN A 130 14.833 13.328 -26.976 1.00 21.01 C ATOM 1998 O GLN A 130 14.934 12.542 -27.917 1.00 42.14 O ATOM 1999 CB GLN A 130 15.229 15.676 -27.741 1.00 43.40 C ATOM 2000 CG GLN A 130 14.675 17.069 -27.993 1.00 10.34 C ATOM 2001 CD GLN A 130 14.537 17.385 -29.469 1.00 22.30 C ATOM 2002 OE1 GLN A 130 13.490 17.146 -30.072 1.00 23.24 O ATOM 2003 NE2 GLN A 130 15.596 17.925 -30.061 1.00 23.24 N ATOM 0 H GLN A 130 14.051 16.108 -25.620 1.00 64.44 H new ATOM 0 HA GLN A 130 13.372 14.603 -27.873 1.00 53.33 H new ATOM 0 HB2 GLN A 130 16.070 15.748 -27.052 1.00 43.40 H new ATOM 0 HB3 GLN A 130 15.617 15.274 -28.677 1.00 43.40 H new ATOM 0 HG2 GLN A 130 13.700 17.160 -27.513 1.00 10.34 H new ATOM 0 HG3 GLN A 130 15.330 17.806 -27.527 1.00 10.34 H new ATOM 0 HE21 GLN A 130 16.444 18.106 -29.523 1.00 23.24 H new ATOM 0 HE22 GLN A 130 15.562 18.159 -31.053 1.00 23.24 H new ATOM 2012 N ALA A 131 15.259 13.046 -25.749 1.00 62.10 N ATOM 2013 CA ALA A 131 15.882 11.767 -25.432 1.00 23.10 C ATOM 2014 C ALA A 131 14.848 10.647 -25.394 1.00 61.12 C ATOM 2015 O ALA A 131 14.953 9.667 -26.132 1.00 41.23 O ATOM 2016 CB ALA A 131 16.618 11.853 -24.103 1.00 42.41 C ATOM 0 H ALA A 131 15.184 13.686 -24.958 1.00 62.10 H new ATOM 0 HA ALA A 131 16.600 11.537 -26.219 1.00 23.10 H new ATOM 0 HB1 ALA A 131 17.078 10.891 -23.879 1.00 42.41 H new ATOM 0 HB2 ALA A 131 17.391 12.619 -24.164 1.00 42.41 H new ATOM 0 HB3 ALA A 131 15.913 12.111 -23.313 1.00 42.41 H new ATOM 2022 N ARG A 132 13.850 10.798 -24.529 1.00 63.04 N ATOM 2023 CA ARG A 132 12.798 9.798 -24.394 1.00 62.25 C ATOM 2024 C ARG A 132 12.106 9.553 -25.732 1.00 62.22 C ATOM 2025 O ARG A 132 11.821 8.411 -26.096 1.00 12.01 O ATOM 2026 CB ARG A 132 11.772 10.244 -23.351 1.00 71.24 C ATOM 2027 CG ARG A 132 11.231 11.644 -23.589 1.00 74.04 C ATOM 2028 CD ARG A 132 10.245 12.052 -22.505 1.00 43.14 C ATOM 2029 NE ARG A 132 9.271 11.000 -22.227 1.00 40.32 N ATOM 2030 CZ ARG A 132 8.207 10.765 -22.986 1.00 54.23 C ATOM 2031 NH1 ARG A 132 7.981 11.503 -24.064 1.00 50.24 N ATOM 2032 NH2 ARG A 132 7.365 9.790 -22.668 1.00 24.43 N ATOM 0 H ARG A 132 13.748 11.603 -23.911 1.00 63.04 H new ATOM 0 HA ARG A 132 13.257 8.866 -24.066 1.00 62.25 H new ATOM 0 HB2 ARG A 132 10.941 9.539 -23.346 1.00 71.24 H new ATOM 0 HB3 ARG A 132 12.230 10.204 -22.363 1.00 71.24 H new ATOM 0 HG2 ARG A 132 12.057 12.355 -23.617 1.00 74.04 H new ATOM 0 HG3 ARG A 132 10.742 11.686 -24.562 1.00 74.04 H new ATOM 0 HD2 ARG A 132 10.789 12.293 -21.592 1.00 43.14 H new ATOM 0 HD3 ARG A 132 9.722 12.958 -22.813 1.00 43.14 H new ATOM 0 HE ARG A 132 9.416 10.414 -21.405 1.00 40.32 H new ATOM 0 HH11 ARG A 132 8.625 12.254 -24.312 1.00 50.24 H new ATOM 0 HH12 ARG A 132 7.163 11.320 -24.645 1.00 50.24 H new ATOM 0 HH21 ARG A 132 7.535 9.220 -21.839 1.00 24.43 H new ATOM 0 HH22 ARG A 132 6.548 9.611 -23.252 1.00 24.43 H new ATOM 2046 N LEU A 133 11.839 10.631 -26.460 1.00 54.31 N ATOM 2047 CA LEU A 133 11.179 10.534 -27.758 1.00 4.21 C ATOM 2048 C LEU A 133 12.045 9.767 -28.752 1.00 41.34 C ATOM 2049 O LEU A 133 11.543 8.964 -29.539 1.00 42.43 O ATOM 2050 CB LEU A 133 10.873 11.931 -28.302 1.00 33.41 C ATOM 2051 CG LEU A 133 9.582 12.578 -27.799 1.00 3.52 C ATOM 2052 CD1 LEU A 133 9.619 14.083 -28.020 1.00 31.32 C ATOM 2053 CD2 LEU A 133 8.373 11.965 -28.490 1.00 1.32 C ATOM 0 H LEU A 133 12.069 11.583 -26.174 1.00 54.31 H new ATOM 0 HA LEU A 133 10.244 9.990 -27.624 1.00 4.21 H new ATOM 0 HB2 LEU A 133 11.706 12.587 -28.052 1.00 33.41 H new ATOM 0 HB3 LEU A 133 10.828 11.874 -29.390 1.00 33.41 H new ATOM 0 HG LEU A 133 9.497 12.390 -26.729 1.00 3.52 H new ATOM 0 HD11 LEU A 133 8.692 14.527 -27.656 1.00 31.32 H new ATOM 0 HD12 LEU A 133 10.463 14.510 -27.478 1.00 31.32 H new ATOM 0 HD13 LEU A 133 9.728 14.292 -29.084 1.00 31.32 H new ATOM 0 HD21 LEU A 133 7.464 12.438 -28.119 1.00 1.32 H new ATOM 0 HD22 LEU A 133 8.451 12.121 -29.566 1.00 1.32 H new ATOM 0 HD23 LEU A 133 8.337 10.896 -28.280 1.00 1.32 H new ATOM 2065 N LYS A 134 13.349 10.018 -28.710 1.00 42.53 N ATOM 2066 CA LYS A 134 14.287 9.350 -29.605 1.00 31.04 C ATOM 2067 C LYS A 134 14.184 7.834 -29.467 1.00 12.42 C ATOM 2068 O LYS A 134 14.295 7.104 -30.451 1.00 21.43 O ATOM 2069 CB LYS A 134 15.718 9.803 -29.308 1.00 1.51 C ATOM 2070 CG LYS A 134 16.232 10.862 -30.268 1.00 41.22 C ATOM 2071 CD LYS A 134 17.716 10.689 -30.546 1.00 52.54 C ATOM 2072 CE LYS A 134 18.308 11.928 -31.201 1.00 1.33 C ATOM 2073 NZ LYS A 134 19.355 11.581 -32.201 1.00 23.54 N ATOM 0 H LYS A 134 13.781 10.680 -28.065 1.00 42.53 H new ATOM 0 HA LYS A 134 14.031 9.623 -30.629 1.00 31.04 H new ATOM 0 HB2 LYS A 134 15.763 10.194 -28.291 1.00 1.51 H new ATOM 0 HB3 LYS A 134 16.380 8.938 -29.347 1.00 1.51 H new ATOM 0 HG2 LYS A 134 15.677 10.806 -31.204 1.00 41.22 H new ATOM 0 HG3 LYS A 134 16.052 11.852 -29.849 1.00 41.22 H new ATOM 0 HD2 LYS A 134 18.241 10.483 -29.613 1.00 52.54 H new ATOM 0 HD3 LYS A 134 17.868 9.826 -31.194 1.00 52.54 H new ATOM 0 HE2 LYS A 134 17.515 12.495 -31.688 1.00 1.33 H new ATOM 0 HE3 LYS A 134 18.737 12.574 -30.435 1.00 1.33 H new ATOM 0 HZ1 LYS A 134 19.733 12.452 -32.624 1.00 23.54 H new ATOM 0 HZ2 LYS A 134 20.124 11.062 -31.732 1.00 23.54 H new ATOM 0 HZ3 LYS A 134 18.940 10.986 -32.946 1.00 23.54 H new ATOM 2087 N MET A 135 13.969 7.369 -28.240 1.00 42.55 N ATOM 2088 CA MET A 135 13.848 5.940 -27.976 1.00 3.54 C ATOM 2089 C MET A 135 12.442 5.445 -28.298 1.00 62.24 C ATOM 2090 O MET A 135 12.267 4.523 -29.096 1.00 41.43 O ATOM 2091 CB MET A 135 14.184 5.641 -26.513 1.00 61.14 C ATOM 2092 CG MET A 135 14.076 4.168 -26.155 1.00 35.25 C ATOM 2093 SD MET A 135 13.177 3.892 -24.616 1.00 2.23 S ATOM 2094 CE MET A 135 14.192 4.813 -23.462 1.00 33.22 C ATOM 0 H MET A 135 13.875 7.960 -27.414 1.00 42.55 H new ATOM 0 HA MET A 135 14.555 5.415 -28.619 1.00 3.54 H new ATOM 0 HB2 MET A 135 15.197 5.984 -26.304 1.00 61.14 H new ATOM 0 HB3 MET A 135 13.515 6.213 -25.871 1.00 61.14 H new ATOM 0 HG2 MET A 135 13.575 3.637 -26.964 1.00 35.25 H new ATOM 0 HG3 MET A 135 15.077 3.745 -26.068 1.00 35.25 H new ATOM 0 HE1 MET A 135 13.908 4.556 -22.442 1.00 33.22 H new ATOM 0 HE2 MET A 135 15.241 4.563 -23.620 1.00 33.22 H new ATOM 0 HE3 MET A 135 14.046 5.881 -23.621 1.00 33.22 H new ATOM 2104 N ILE A 136 11.445 6.061 -27.674 1.00 15.13 N ATOM 2105 CA ILE A 136 10.055 5.682 -27.896 1.00 13.21 C ATOM 2106 C ILE A 136 9.722 5.662 -29.384 1.00 33.31 C ATOM 2107 O ILE A 136 9.296 4.639 -29.921 1.00 52.31 O ATOM 2108 CB ILE A 136 9.088 6.642 -27.178 1.00 52.31 C ATOM 2109 CG1 ILE A 136 9.374 6.660 -25.675 1.00 70.22 C ATOM 2110 CG2 ILE A 136 7.645 6.238 -27.444 1.00 24.35 C ATOM 2111 CD1 ILE A 136 8.799 7.865 -24.965 1.00 11.04 C ATOM 0 H ILE A 136 11.573 6.825 -27.010 1.00 15.13 H new ATOM 0 HA ILE A 136 9.931 4.680 -27.485 1.00 13.21 H new ATOM 0 HB ILE A 136 9.241 7.648 -27.569 1.00 52.31 H new ATOM 0 HG12 ILE A 136 8.967 5.755 -25.225 1.00 70.22 H new ATOM 0 HG13 ILE A 136 10.452 6.636 -25.518 1.00 70.22 H new ATOM 0 HG21 ILE A 136 6.974 6.926 -26.930 1.00 24.35 H new ATOM 0 HG22 ILE A 136 7.449 6.273 -28.516 1.00 24.35 H new ATOM 0 HG23 ILE A 136 7.477 5.225 -27.077 1.00 24.35 H new ATOM 0 HD11 ILE A 136 9.040 7.811 -23.903 1.00 11.04 H new ATOM 0 HD12 ILE A 136 9.225 8.774 -25.388 1.00 11.04 H new ATOM 0 HD13 ILE A 136 7.716 7.879 -25.091 1.00 11.04 H new ATOM 2123 N SER A 137 9.920 6.798 -30.045 1.00 24.41 N ATOM 2124 CA SER A 137 9.639 6.911 -31.471 1.00 44.13 C ATOM 2125 C SER A 137 10.728 6.231 -32.295 1.00 63.24 C ATOM 2126 O SER A 137 11.509 6.893 -32.978 1.00 2.31 O ATOM 2127 CB SER A 137 9.523 8.382 -31.874 1.00 43.42 C ATOM 2128 OG SER A 137 8.471 9.022 -31.173 1.00 31.30 O ATOM 0 H SER A 137 10.274 7.653 -29.616 1.00 24.41 H new ATOM 0 HA SER A 137 8.691 6.411 -31.670 1.00 44.13 H new ATOM 0 HB2 SER A 137 10.464 8.893 -31.670 1.00 43.42 H new ATOM 0 HB3 SER A 137 9.346 8.455 -32.947 1.00 43.42 H new ATOM 0 HG SER A 137 8.419 9.961 -31.447 1.00 31.30 H new ATOM 2228 N ALA A 170 24.808 21.712 -0.905 1.00 11.22 N ATOM 2229 CA ALA A 170 23.794 22.533 -1.555 1.00 0.33 C ATOM 2230 C ALA A 170 22.578 22.720 -0.653 1.00 44.42 C ATOM 2231 O ALA A 170 22.062 23.829 -0.512 1.00 14.35 O ATOM 2232 CB ALA A 170 23.380 21.910 -2.880 1.00 1.43 C ATOM 0 HA ALA A 170 24.226 23.515 -1.747 1.00 0.33 H new ATOM 0 HB1 ALA A 170 22.622 22.534 -3.354 1.00 1.43 H new ATOM 0 HB2 ALA A 170 24.249 21.834 -3.534 1.00 1.43 H new ATOM 0 HB3 ALA A 170 22.972 20.915 -2.702 1.00 1.43 H new ATOM 2238 N THR A 171 22.125 21.629 -0.045 1.00 74.32 N ATOM 2239 CA THR A 171 20.968 21.672 0.841 1.00 4.21 C ATOM 2240 C THR A 171 21.171 22.688 1.960 1.00 61.23 C ATOM 2241 O THR A 171 20.210 23.264 2.470 1.00 72.52 O ATOM 2242 CB THR A 171 20.684 20.291 1.462 1.00 43.40 C ATOM 2243 OG1 THR A 171 19.489 20.345 2.249 1.00 22.21 O ATOM 2244 CG2 THR A 171 21.849 19.838 2.329 1.00 11.02 C ATOM 0 H THR A 171 22.542 20.704 -0.150 1.00 74.32 H new ATOM 0 HA THR A 171 20.114 21.971 0.233 1.00 4.21 H new ATOM 0 HB THR A 171 20.553 19.572 0.653 1.00 43.40 H new ATOM 0 HG1 THR A 171 19.314 19.463 2.639 1.00 22.21 H new ATOM 0 HG21 THR A 171 21.626 18.861 2.757 1.00 11.02 H new ATOM 0 HG22 THR A 171 22.751 19.770 1.720 1.00 11.02 H new ATOM 0 HG23 THR A 171 22.006 20.558 3.132 1.00 11.02 H new ATOM 2252 N ARG A 172 22.427 22.904 2.336 1.00 22.54 N ATOM 2253 CA ARG A 172 22.755 23.850 3.396 1.00 43.04 C ATOM 2254 C ARG A 172 22.176 25.229 3.092 1.00 70.54 C ATOM 2255 O ARG A 172 21.415 25.781 3.885 1.00 31.33 O ATOM 2256 CB ARG A 172 24.272 23.949 3.568 1.00 1.32 C ATOM 2257 CG ARG A 172 24.722 23.935 5.020 1.00 41.41 C ATOM 2258 CD ARG A 172 25.751 25.021 5.294 1.00 24.45 C ATOM 2259 NE ARG A 172 26.687 24.634 6.348 1.00 55.14 N ATOM 2260 CZ ARG A 172 27.637 25.435 6.816 1.00 24.32 C ATOM 2261 NH1 ARG A 172 27.778 26.659 6.328 1.00 52.32 N ATOM 2262 NH2 ARG A 172 28.450 25.011 7.776 1.00 71.22 N ATOM 0 H ARG A 172 23.234 22.437 1.923 1.00 22.54 H new ATOM 0 HA ARG A 172 22.314 23.486 4.324 1.00 43.04 H new ATOM 0 HB2 ARG A 172 24.744 23.119 3.042 1.00 1.32 H new ATOM 0 HB3 ARG A 172 24.624 24.866 3.096 1.00 1.32 H new ATOM 0 HG2 ARG A 172 23.859 24.077 5.671 1.00 41.41 H new ATOM 0 HG3 ARG A 172 25.147 22.961 5.261 1.00 41.41 H new ATOM 0 HD2 ARG A 172 26.303 25.236 4.379 1.00 24.45 H new ATOM 0 HD3 ARG A 172 25.241 25.940 5.582 1.00 24.45 H new ATOM 0 HE ARG A 172 26.606 23.698 6.745 1.00 55.14 H new ATOM 0 HH11 ARG A 172 27.156 26.989 5.590 1.00 52.32 H new ATOM 0 HH12 ARG A 172 28.509 27.271 6.690 1.00 52.32 H new ATOM 0 HH21 ARG A 172 28.345 24.070 8.154 1.00 71.22 H new ATOM 0 HH22 ARG A 172 29.180 25.627 8.135 1.00 71.22 H new ATOM 2276 N GLU A 173 22.543 25.778 1.938 1.00 74.33 N ATOM 2277 CA GLU A 173 22.060 27.092 1.531 1.00 70.05 C ATOM 2278 C GLU A 173 20.537 27.109 1.442 1.00 74.21 C ATOM 2279 O GLU A 173 19.889 28.067 1.866 1.00 42.12 O ATOM 2280 CB GLU A 173 22.665 27.486 0.181 1.00 14.44 C ATOM 2281 CG GLU A 173 23.977 28.243 0.300 1.00 21.34 C ATOM 2282 CD GLU A 173 25.084 27.399 0.904 1.00 54.53 C ATOM 2283 OE1 GLU A 173 25.072 27.198 2.136 1.00 72.42 O ATOM 2284 OE2 GLU A 173 25.961 26.941 0.143 1.00 45.24 O ATOM 0 H GLU A 173 23.172 25.334 1.270 1.00 74.33 H new ATOM 0 HA GLU A 173 22.370 27.815 2.286 1.00 70.05 H new ATOM 0 HB2 GLU A 173 22.827 26.586 -0.412 1.00 14.44 H new ATOM 0 HB3 GLU A 173 21.948 28.101 -0.363 1.00 14.44 H new ATOM 0 HG2 GLU A 173 24.285 28.587 -0.687 1.00 21.34 H new ATOM 0 HG3 GLU A 173 23.826 29.131 0.914 1.00 21.34 H new ATOM 2291 N LEU A 174 19.971 26.042 0.888 1.00 54.41 N ATOM 2292 CA LEU A 174 18.523 25.933 0.742 1.00 1.24 C ATOM 2293 C LEU A 174 17.832 26.016 2.099 1.00 33.25 C ATOM 2294 O LEU A 174 16.829 26.712 2.255 1.00 55.41 O ATOM 2295 CB LEU A 174 18.158 24.619 0.050 1.00 30.23 C ATOM 2296 CG LEU A 174 18.526 24.515 -1.430 1.00 70.02 C ATOM 2297 CD1 LEU A 174 18.885 23.082 -1.792 1.00 4.23 C ATOM 2298 CD2 LEU A 174 17.382 25.016 -2.300 1.00 64.34 C ATOM 0 H LEU A 174 20.492 25.240 0.533 1.00 54.41 H new ATOM 0 HA LEU A 174 18.180 26.766 0.129 1.00 1.24 H new ATOM 0 HB2 LEU A 174 18.646 23.803 0.583 1.00 30.23 H new ATOM 0 HB3 LEU A 174 17.083 24.466 0.148 1.00 30.23 H new ATOM 0 HG LEU A 174 19.398 25.143 -1.613 1.00 70.02 H new ATOM 0 HD11 LEU A 174 19.144 23.028 -2.849 1.00 4.23 H new ATOM 0 HD12 LEU A 174 19.736 22.758 -1.193 1.00 4.23 H new ATOM 0 HD13 LEU A 174 18.033 22.432 -1.594 1.00 4.23 H new ATOM 0 HD21 LEU A 174 17.661 24.935 -3.350 1.00 64.34 H new ATOM 0 HD22 LEU A 174 16.492 24.414 -2.113 1.00 64.34 H new ATOM 0 HD23 LEU A 174 17.172 26.058 -2.060 1.00 64.34 H new ATOM 2310 N ASP A 175 18.376 25.302 3.079 1.00 13.31 N ATOM 2311 CA ASP A 175 17.813 25.297 4.425 1.00 43.24 C ATOM 2312 C ASP A 175 18.062 26.631 5.122 1.00 31.35 C ATOM 2313 O ASP A 175 17.193 27.145 5.825 1.00 13.22 O ATOM 2314 CB ASP A 175 18.415 24.157 5.247 1.00 32.24 C ATOM 2315 CG ASP A 175 17.396 23.086 5.584 1.00 12.15 C ATOM 2316 OD1 ASP A 175 17.199 22.172 4.756 1.00 22.14 O ATOM 2317 OD2 ASP A 175 16.795 23.162 6.677 1.00 65.23 O ATOM 0 H ASP A 175 19.206 24.719 2.967 1.00 13.31 H new ATOM 0 HA ASP A 175 16.737 25.146 4.343 1.00 43.24 H new ATOM 0 HB2 ASP A 175 19.239 23.709 4.692 1.00 32.24 H new ATOM 0 HB3 ASP A 175 18.833 24.560 6.169 1.00 32.24 H new ATOM 2322 N GLU A 176 19.254 27.184 4.924 1.00 64.41 N ATOM 2323 CA GLU A 176 19.617 28.456 5.536 1.00 1.33 C ATOM 2324 C GLU A 176 18.654 29.560 5.109 1.00 34.21 C ATOM 2325 O GLU A 176 18.015 30.200 5.945 1.00 11.33 O ATOM 2326 CB GLU A 176 21.049 28.840 5.158 1.00 62.01 C ATOM 2327 CG GLU A 176 22.100 28.269 6.095 1.00 0.45 C ATOM 2328 CD GLU A 176 22.984 29.341 6.702 1.00 5.51 C ATOM 2329 OE1 GLU A 176 22.578 29.942 7.718 1.00 13.14 O ATOM 2330 OE2 GLU A 176 24.084 29.579 6.160 1.00 41.33 O ATOM 0 H GLU A 176 19.985 26.771 4.344 1.00 64.41 H new ATOM 0 HA GLU A 176 19.553 28.340 6.618 1.00 1.33 H new ATOM 0 HB2 GLU A 176 21.253 28.496 4.144 1.00 62.01 H new ATOM 0 HB3 GLU A 176 21.134 29.927 5.149 1.00 62.01 H new ATOM 0 HG2 GLU A 176 21.607 27.715 6.894 1.00 0.45 H new ATOM 0 HG3 GLU A 176 22.720 27.558 5.549 1.00 0.45 H new ATOM 2337 N LEU A 177 18.554 29.777 3.802 1.00 3.03 N ATOM 2338 CA LEU A 177 17.669 30.803 3.262 1.00 4.43 C ATOM 2339 C LEU A 177 16.241 30.608 3.760 1.00 30.32 C ATOM 2340 O LEU A 177 15.535 31.574 4.044 1.00 15.45 O ATOM 2341 CB LEU A 177 17.697 30.775 1.733 1.00 11.41 C ATOM 2342 CG LEU A 177 18.758 31.650 1.065 1.00 51.52 C ATOM 2343 CD1 LEU A 177 18.748 31.444 -0.442 1.00 25.01 C ATOM 2344 CD2 LEU A 177 18.532 33.116 1.406 1.00 42.35 C ATOM 0 H LEU A 177 19.075 29.256 3.097 1.00 3.03 H new ATOM 0 HA LEU A 177 18.025 31.773 3.608 1.00 4.43 H new ATOM 0 HB2 LEU A 177 17.849 29.745 1.411 1.00 11.41 H new ATOM 0 HB3 LEU A 177 16.718 31.082 1.366 1.00 11.41 H new ATOM 0 HG LEU A 177 19.736 31.356 1.445 1.00 51.52 H new ATOM 0 HD11 LEU A 177 19.510 32.075 -0.901 1.00 25.01 H new ATOM 0 HD12 LEU A 177 18.959 30.399 -0.668 1.00 25.01 H new ATOM 0 HD13 LEU A 177 17.769 31.711 -0.839 1.00 25.01 H new ATOM 0 HD21 LEU A 177 19.296 33.724 0.922 1.00 42.35 H new ATOM 0 HD22 LEU A 177 17.547 33.424 1.055 1.00 42.35 H new ATOM 0 HD23 LEU A 177 18.590 33.252 2.486 1.00 42.35 H new ATOM 2356 N MET A 178 15.823 29.350 3.865 1.00 4.30 N ATOM 2357 CA MET A 178 14.480 29.028 4.332 1.00 1.13 C ATOM 2358 C MET A 178 14.219 29.644 5.703 1.00 11.30 C ATOM 2359 O MET A 178 13.140 30.177 5.959 1.00 54.23 O ATOM 2360 CB MET A 178 14.290 27.511 4.397 1.00 13.53 C ATOM 2361 CG MET A 178 12.887 27.092 4.805 1.00 54.04 C ATOM 2362 SD MET A 178 12.881 25.948 6.198 1.00 32.31 S ATOM 2363 CE MET A 178 12.938 27.091 7.575 1.00 1.35 C ATOM 0 H MET A 178 16.395 28.538 3.633 1.00 4.30 H new ATOM 0 HA MET A 178 13.765 29.447 3.623 1.00 1.13 H new ATOM 0 HB2 MET A 178 14.519 27.082 3.422 1.00 13.53 H new ATOM 0 HB3 MET A 178 15.006 27.093 5.105 1.00 13.53 H new ATOM 0 HG2 MET A 178 12.309 27.978 5.065 1.00 54.04 H new ATOM 0 HG3 MET A 178 12.390 26.625 3.955 1.00 54.04 H new ATOM 0 HE1 MET A 178 12.606 26.585 8.482 1.00 1.35 H new ATOM 0 HE2 MET A 178 13.959 27.446 7.711 1.00 1.35 H new ATOM 0 HE3 MET A 178 12.283 27.938 7.372 1.00 1.35 H new ATOM 2373 N ALA A 179 15.214 29.567 6.581 1.00 53.11 N ATOM 2374 CA ALA A 179 15.091 30.119 7.924 1.00 24.25 C ATOM 2375 C ALA A 179 14.985 31.639 7.886 1.00 51.51 C ATOM 2376 O ALA A 179 14.195 32.235 8.619 1.00 61.32 O ATOM 2377 CB ALA A 179 16.275 29.692 8.780 1.00 41.10 C ATOM 0 H ALA A 179 16.114 29.128 6.386 1.00 53.11 H new ATOM 0 HA ALA A 179 14.175 29.729 8.368 1.00 24.25 H new ATOM 0 HB1 ALA A 179 16.170 30.111 9.781 1.00 41.10 H new ATOM 0 HB2 ALA A 179 16.305 28.604 8.844 1.00 41.10 H new ATOM 0 HB3 ALA A 179 17.199 30.054 8.330 1.00 41.10 H new ATOM 2383 N SER A 180 15.786 32.263 7.027 1.00 34.42 N ATOM 2384 CA SER A 180 15.784 33.715 6.897 1.00 63.13 C ATOM 2385 C SER A 180 14.435 34.213 6.388 1.00 43.44 C ATOM 2386 O SER A 180 14.010 35.325 6.706 1.00 22.24 O ATOM 2387 CB SER A 180 16.898 34.164 5.948 1.00 33.12 C ATOM 2388 OG SER A 180 17.873 33.148 5.790 1.00 41.21 O ATOM 0 H SER A 180 16.444 31.785 6.411 1.00 34.42 H new ATOM 0 HA SER A 180 15.961 34.144 7.883 1.00 63.13 H new ATOM 0 HB2 SER A 180 16.473 34.418 4.977 1.00 33.12 H new ATOM 0 HB3 SER A 180 17.369 35.067 6.336 1.00 33.12 H new ATOM 0 HG SER A 180 18.573 33.458 5.178 1.00 41.21 H new ATOM 2394 N LEU A 181 13.766 33.384 5.595 1.00 63.15 N ATOM 2395 CA LEU A 181 12.464 33.739 5.040 1.00 65.20 C ATOM 2396 C LEU A 181 11.340 33.330 5.986 1.00 11.41 C ATOM 2397 O LEU A 181 10.261 33.923 5.976 1.00 31.30 O ATOM 2398 CB LEU A 181 12.269 33.070 3.678 1.00 12.02 C ATOM 2399 CG LEU A 181 12.899 33.785 2.483 1.00 60.05 C ATOM 2400 CD1 LEU A 181 12.701 32.975 1.211 1.00 72.31 C ATOM 2401 CD2 LEU A 181 12.312 35.180 2.325 1.00 11.02 C ATOM 0 H LEU A 181 14.103 32.461 5.322 1.00 63.15 H new ATOM 0 HA LEU A 181 12.432 34.821 4.914 1.00 65.20 H new ATOM 0 HB2 LEU A 181 12.678 32.061 3.729 1.00 12.02 H new ATOM 0 HB3 LEU A 181 11.199 32.971 3.494 1.00 12.02 H new ATOM 0 HG LEU A 181 13.969 33.881 2.666 1.00 60.05 H new ATOM 0 HD11 LEU A 181 13.156 33.500 0.371 1.00 72.31 H new ATOM 0 HD12 LEU A 181 13.170 31.998 1.325 1.00 72.31 H new ATOM 0 HD13 LEU A 181 11.635 32.846 1.024 1.00 72.31 H new ATOM 0 HD21 LEU A 181 12.773 35.674 1.469 1.00 11.02 H new ATOM 0 HD22 LEU A 181 11.236 35.106 2.166 1.00 11.02 H new ATOM 0 HD23 LEU A 181 12.506 35.761 3.227 1.00 11.02 H new ATOM 2413 N SER A 182 11.601 32.316 6.804 1.00 30.13 N ATOM 2414 CA SER A 182 10.610 31.827 7.756 1.00 3.12 C ATOM 2415 C SER A 182 10.366 32.852 8.860 1.00 72.40 C ATOM 2416 O SER A 182 9.240 33.308 9.061 1.00 60.35 O ATOM 2417 CB SER A 182 11.070 30.502 8.367 1.00 34.03 C ATOM 2418 OG SER A 182 10.205 29.442 7.995 1.00 5.24 O ATOM 0 H SER A 182 12.490 31.817 6.827 1.00 30.13 H new ATOM 0 HA SER A 182 9.675 31.666 7.220 1.00 3.12 H new ATOM 0 HB2 SER A 182 12.085 30.279 8.039 1.00 34.03 H new ATOM 0 HB3 SER A 182 11.098 30.589 9.453 1.00 34.03 H new ATOM 0 HG SER A 182 10.312 28.697 8.622 1.00 5.24 H new ATOM 2424 N ASP A 183 11.428 33.208 9.573 1.00 44.51 N ATOM 2425 CA ASP A 183 11.331 34.180 10.656 1.00 22.23 C ATOM 2426 C ASP A 183 12.307 35.333 10.442 1.00 60.43 C ATOM 2427 O ASP A 183 13.494 35.219 10.749 1.00 4.14 O ATOM 2428 CB ASP A 183 11.607 33.505 12.001 1.00 42.21 C ATOM 2429 CG ASP A 183 10.344 33.295 12.813 1.00 25.01 C ATOM 2430 OD1 ASP A 183 9.757 34.299 13.268 1.00 40.11 O ATOM 2431 OD2 ASP A 183 9.943 32.126 12.993 1.00 1.53 O ATOM 0 H ASP A 183 12.366 32.838 9.421 1.00 44.51 H new ATOM 0 HA ASP A 183 10.318 34.582 10.660 1.00 22.23 H new ATOM 0 HB2 ASP A 183 12.089 32.543 11.829 1.00 42.21 H new ATOM 0 HB3 ASP A 183 12.306 34.114 12.573 1.00 42.21 H new