USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 900 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 GLN : amide:sc= 0 X(o=-0.098,f=-0.17) USER MOD Set 1.2: A 115 GLN : amide:sc= -0.098 K(o=-0.098,f=-0.74) USER MOD Set 2.1: A 34 GLN : amide:sc= -2.65 K(o=-4.1,f=-5.8!) USER MOD Set 2.2: A 105 THR OG1 : rot 180:sc=-0.000602 USER MOD Set 2.3: A 107 LYS NZ :NH3+ -142:sc= -1.44 (180deg=-2.47!) USER MOD Set 3.1: A 45 THR OG1 : rot 7:sc= 0.378 USER MOD Set 3.2: A 51 SER OG : rot 171:sc= -2.55! USER MOD Set 3.3: A 103 SER OG : rot -150:sc= 0 USER MOD Set 4.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 110 SER OG : rot -80:sc= 1.49 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -10:sc= 0.125 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 29 SER OG : rot -68:sc= 0.711 USER MOD Single : A 30 CYS SG : rot -25:sc= 0.871 USER MOD Single : A 31 ASN : amide:sc= -0.485 X(o=-0.48,f=-0.19!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0699) USER MOD Single : A 40 ASN : amide:sc= -0.819 K(o=-0.82,f=-2.6!) USER MOD Single : A 43 THR OG1 : rot -66:sc= 1 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.23 X(o=-0.23,f=0.13) USER MOD Single : A 56 MET CE :methyl -122:sc= -1.01 (180deg=-8.67!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 80 TYR OH : rot 68:sc=-0.00738 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc=-0.00343 X(o=-0.0034,f=0) USER MOD Single : A 93 CYS SG : rot 160:sc= -0.416 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot 180:sc= -0.174 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 117 GLN : amide:sc= -1.25 K(o=-1.3,f=-4!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN :FLIP amide:sc= -0.0257 F(o=-0.78,f=-0.026) USER MOD Single : A 121 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.64) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 13.738 13.334 6.430 1.00 61.10 N ATOM 136 CA ALA A 10 12.712 13.900 7.298 1.00 10.23 C ATOM 137 C ALA A 10 11.983 12.807 8.070 1.00 21.22 C ATOM 138 O ALA A 10 10.794 12.931 8.369 1.00 54.30 O ATOM 139 CB ALA A 10 11.725 14.721 6.481 1.00 13.31 C ATOM 0 HA ALA A 10 13.201 14.554 8.020 1.00 10.23 H new ATOM 0 HB1 ALA A 10 10.964 15.138 7.141 1.00 13.31 H new ATOM 0 HB2 ALA A 10 12.254 15.531 5.979 1.00 13.31 H new ATOM 0 HB3 ALA A 10 11.249 14.083 5.737 1.00 13.31 H new ATOM 145 N TYR A 11 12.700 11.736 8.392 1.00 62.44 N ATOM 146 CA TYR A 11 12.120 10.620 9.128 1.00 31.23 C ATOM 147 C TYR A 11 12.942 10.301 10.373 1.00 62.13 C ATOM 148 O TYR A 11 14.113 10.667 10.486 1.00 35.33 O ATOM 149 CB TYR A 11 12.031 9.382 8.233 1.00 42.31 C ATOM 150 CG TYR A 11 10.629 9.084 7.751 1.00 74.53 C ATOM 151 CD1 TYR A 11 9.887 10.043 7.073 1.00 15.34 C ATOM 152 CD2 TYR A 11 10.047 7.842 7.974 1.00 35.15 C ATOM 153 CE1 TYR A 11 8.606 9.773 6.631 1.00 41.42 C ATOM 154 CE2 TYR A 11 8.767 7.564 7.535 1.00 20.01 C ATOM 155 CZ TYR A 11 8.051 8.533 6.864 1.00 25.00 C ATOM 156 OH TYR A 11 6.775 8.261 6.425 1.00 73.44 O ATOM 0 H TYR A 11 13.685 11.618 8.154 1.00 62.44 H new ATOM 0 HA TYR A 11 11.116 10.908 9.441 1.00 31.23 H new ATOM 0 HB2 TYR A 11 12.682 9.521 7.369 1.00 42.31 H new ATOM 0 HB3 TYR A 11 12.409 8.519 8.782 1.00 42.31 H new ATOM 0 HD1 TYR A 11 10.319 11.016 6.888 1.00 15.34 H new ATOM 0 HD2 TYR A 11 10.605 7.081 8.499 1.00 35.15 H new ATOM 0 HE1 TYR A 11 8.042 10.530 6.106 1.00 41.42 H new ATOM 0 HE2 TYR A 11 8.330 6.593 7.716 1.00 20.01 H new ATOM 0 HH TYR A 11 6.534 7.343 6.668 1.00 73.44 H new ATOM 166 N PRO A 12 12.316 9.603 11.333 1.00 15.43 N ATOM 167 CA PRO A 12 10.923 9.164 11.210 1.00 0.31 C ATOM 168 C PRO A 12 9.940 10.327 11.277 1.00 64.42 C ATOM 169 O PRO A 12 10.324 11.462 11.564 1.00 54.24 O ATOM 170 CB PRO A 12 10.736 8.235 12.412 1.00 60.22 C ATOM 171 CG PRO A 12 11.743 8.698 13.408 1.00 21.23 C ATOM 172 CD PRO A 12 12.920 9.190 12.610 1.00 23.23 C ATOM 0 HA PRO A 12 10.730 8.685 10.250 1.00 0.31 H new ATOM 0 HB2 PRO A 12 9.724 8.303 12.811 1.00 60.22 H new ATOM 0 HB3 PRO A 12 10.901 7.193 12.137 1.00 60.22 H new ATOM 0 HG2 PRO A 12 11.336 9.493 14.034 1.00 21.23 H new ATOM 0 HG3 PRO A 12 12.035 7.886 14.074 1.00 21.23 H new ATOM 0 HD2 PRO A 12 13.422 10.021 13.105 1.00 23.23 H new ATOM 0 HD3 PRO A 12 13.665 8.407 12.468 1.00 23.23 H new ATOM 180 N LEU A 13 8.670 10.039 11.015 1.00 44.24 N ATOM 181 CA LEU A 13 7.630 11.062 11.047 1.00 62.33 C ATOM 182 C LEU A 13 6.443 10.606 11.889 1.00 0.32 C ATOM 183 O LEU A 13 5.684 9.728 11.483 1.00 2.43 O ATOM 184 CB LEU A 13 7.167 11.392 9.627 1.00 33.13 C ATOM 185 CG LEU A 13 6.135 12.513 9.501 1.00 42.43 C ATOM 186 CD1 LEU A 13 6.656 13.792 10.138 1.00 43.11 C ATOM 187 CD2 LEU A 13 5.780 12.749 8.040 1.00 62.04 C ATOM 0 H LEU A 13 8.335 9.105 10.778 1.00 44.24 H new ATOM 0 HA LEU A 13 8.051 11.959 11.502 1.00 62.33 H new ATOM 0 HB2 LEU A 13 8.041 11.662 9.035 1.00 33.13 H new ATOM 0 HB3 LEU A 13 6.748 10.488 9.184 1.00 33.13 H new ATOM 0 HG LEU A 13 5.231 12.210 10.030 1.00 42.43 H new ATOM 0 HD11 LEU A 13 5.908 14.579 10.039 1.00 43.11 H new ATOM 0 HD12 LEU A 13 6.859 13.616 11.194 1.00 43.11 H new ATOM 0 HD13 LEU A 13 7.575 14.099 9.638 1.00 43.11 H new ATOM 0 HD21 LEU A 13 5.044 13.550 7.969 1.00 62.04 H new ATOM 0 HD22 LEU A 13 6.677 13.030 7.488 1.00 62.04 H new ATOM 0 HD23 LEU A 13 5.364 11.836 7.615 1.00 62.04 H new ATOM 199 N ALA A 14 6.290 11.211 13.063 1.00 13.31 N ATOM 200 CA ALA A 14 5.192 10.869 13.960 1.00 54.35 C ATOM 201 C ALA A 14 3.876 11.461 13.466 1.00 65.04 C ATOM 202 O ALA A 14 3.767 12.670 13.261 1.00 52.31 O ATOM 203 CB ALA A 14 5.495 11.352 15.371 1.00 4.34 C ATOM 0 H ALA A 14 6.912 11.939 13.415 1.00 13.31 H new ATOM 0 HA ALA A 14 5.089 9.784 13.974 1.00 54.35 H new ATOM 0 HB1 ALA A 14 4.668 11.090 16.031 1.00 4.34 H new ATOM 0 HB2 ALA A 14 6.409 10.878 15.730 1.00 4.34 H new ATOM 0 HB3 ALA A 14 5.626 12.434 15.365 1.00 4.34 H new ATOM 209 N ASP A 15 2.880 10.602 13.280 1.00 75.23 N ATOM 210 CA ASP A 15 1.571 11.040 12.811 1.00 1.41 C ATOM 211 C ASP A 15 0.906 11.955 13.835 1.00 3.52 C ATOM 212 O ASP A 15 1.432 12.168 14.927 1.00 12.41 O ATOM 213 CB ASP A 15 0.675 9.832 12.531 1.00 54.52 C ATOM 214 CG ASP A 15 0.690 8.825 13.663 1.00 42.05 C ATOM 215 OD1 ASP A 15 1.555 7.925 13.646 1.00 54.05 O ATOM 216 OD2 ASP A 15 -0.164 8.937 14.567 1.00 72.44 O ATOM 0 H ASP A 15 2.954 9.598 13.447 1.00 75.23 H new ATOM 0 HA ASP A 15 1.712 11.600 11.886 1.00 1.41 H new ATOM 0 HB2 ASP A 15 -0.347 10.172 12.365 1.00 54.52 H new ATOM 0 HB3 ASP A 15 1.002 9.346 11.612 1.00 54.52 H new ATOM 221 N ALA A 16 -0.255 12.494 13.474 1.00 61.24 N ATOM 222 CA ALA A 16 -0.992 13.384 14.361 1.00 3.43 C ATOM 223 C ALA A 16 -1.335 12.690 15.674 1.00 5.15 C ATOM 224 O ALA A 16 -1.410 13.329 16.725 1.00 52.11 O ATOM 225 CB ALA A 16 -2.258 13.881 13.678 1.00 51.45 C ATOM 0 H ALA A 16 -0.704 12.329 12.573 1.00 61.24 H new ATOM 0 HA ALA A 16 -0.355 14.239 14.588 1.00 3.43 H new ATOM 0 HB1 ALA A 16 -2.799 14.545 14.353 1.00 51.45 H new ATOM 0 HB2 ALA A 16 -1.993 14.423 12.770 1.00 51.45 H new ATOM 0 HB3 ALA A 16 -2.891 13.031 13.421 1.00 51.45 H new ATOM 231 N HIS A 17 -1.546 11.379 15.608 1.00 53.14 N ATOM 232 CA HIS A 17 -1.883 10.598 16.793 1.00 54.11 C ATOM 233 C HIS A 17 -0.639 10.320 17.632 1.00 64.23 C ATOM 234 O HIS A 17 -0.714 10.218 18.858 1.00 14.42 O ATOM 235 CB HIS A 17 -2.545 9.281 16.390 1.00 34.25 C ATOM 236 CG HIS A 17 -3.732 8.925 17.230 1.00 64.54 C ATOM 237 ND1 HIS A 17 -3.719 7.905 18.159 1.00 62.15 N ATOM 238 CD2 HIS A 17 -4.974 9.461 17.282 1.00 51.41 C ATOM 239 CE1 HIS A 17 -4.902 7.829 18.743 1.00 73.21 C ATOM 240 NE2 HIS A 17 -5.681 8.762 18.228 1.00 22.04 N ATOM 0 H HIS A 17 -1.490 10.835 14.747 1.00 53.14 H new ATOM 0 HA HIS A 17 -2.583 11.179 17.394 1.00 54.11 H new ATOM 0 HB2 HIS A 17 -2.854 9.344 15.347 1.00 34.25 H new ATOM 0 HB3 HIS A 17 -1.810 8.479 16.457 1.00 34.25 H new ATOM 0 HD2 HIS A 17 -5.341 10.286 16.689 1.00 51.41 H new ATOM 0 HE1 HIS A 17 -5.184 7.124 19.511 1.00 73.21 H new ATOM 0 HE2 HIS A 17 -6.651 8.935 18.491 1.00 22.04 H new ATOM 248 N LEU A 18 0.503 10.199 16.965 1.00 71.34 N ATOM 249 CA LEU A 18 1.764 9.932 17.648 1.00 65.50 C ATOM 250 C LEU A 18 2.317 11.203 18.286 1.00 50.23 C ATOM 251 O LEU A 18 2.843 11.175 19.400 1.00 5.23 O ATOM 252 CB LEU A 18 2.786 9.352 16.669 1.00 4.03 C ATOM 253 CG LEU A 18 3.287 7.942 16.979 1.00 53.10 C ATOM 254 CD1 LEU A 18 4.109 7.936 18.260 1.00 13.52 C ATOM 255 CD2 LEU A 18 2.119 6.973 17.089 1.00 14.24 C ATOM 0 H LEU A 18 0.582 10.282 15.951 1.00 71.34 H new ATOM 0 HA LEU A 18 1.574 9.204 18.437 1.00 65.50 H new ATOM 0 HB2 LEU A 18 2.343 9.348 15.673 1.00 4.03 H new ATOM 0 HB3 LEU A 18 3.645 10.022 16.633 1.00 4.03 H new ATOM 0 HG LEU A 18 3.927 7.617 16.159 1.00 53.10 H new ATOM 0 HD11 LEU A 18 4.457 6.923 18.464 1.00 13.52 H new ATOM 0 HD12 LEU A 18 4.967 8.598 18.145 1.00 13.52 H new ATOM 0 HD13 LEU A 18 3.492 8.282 19.090 1.00 13.52 H new ATOM 0 HD21 LEU A 18 2.495 5.974 17.310 1.00 14.24 H new ATOM 0 HD22 LEU A 18 1.453 7.295 17.889 1.00 14.24 H new ATOM 0 HD23 LEU A 18 1.572 6.954 16.147 1.00 14.24 H new ATOM 267 N THR A 19 2.195 12.319 17.573 1.00 31.34 N ATOM 268 CA THR A 19 2.682 13.600 18.068 1.00 22.32 C ATOM 269 C THR A 19 1.998 13.978 19.378 1.00 10.12 C ATOM 270 O THR A 19 2.548 14.731 20.182 1.00 31.44 O ATOM 271 CB THR A 19 2.453 14.723 17.040 1.00 12.32 C ATOM 272 OG1 THR A 19 1.065 14.798 16.696 1.00 11.44 O ATOM 273 CG2 THR A 19 3.279 14.485 15.786 1.00 14.43 C ATOM 0 H THR A 19 1.763 12.361 16.650 1.00 31.34 H new ATOM 0 HA THR A 19 3.753 13.487 18.239 1.00 22.32 H new ATOM 0 HB THR A 19 2.766 15.665 17.489 1.00 12.32 H new ATOM 0 HG1 THR A 19 0.595 14.019 17.060 1.00 11.44 H new ATOM 0 HG21 THR A 19 3.101 15.291 15.074 1.00 14.43 H new ATOM 0 HG22 THR A 19 4.337 14.459 16.047 1.00 14.43 H new ATOM 0 HG23 THR A 19 2.992 13.534 15.336 1.00 14.43 H new ATOM 281 N LYS A 20 0.797 13.452 19.586 1.00 4.14 N ATOM 282 CA LYS A 20 0.037 13.732 20.799 1.00 41.33 C ATOM 283 C LYS A 20 0.776 13.224 22.033 1.00 20.12 C ATOM 284 O LYS A 20 1.017 13.974 22.978 1.00 23.31 O ATOM 285 CB LYS A 20 -1.349 13.088 20.719 1.00 74.13 C ATOM 286 CG LYS A 20 -2.386 13.766 21.597 1.00 44.44 C ATOM 287 CD LYS A 20 -3.795 13.523 21.083 1.00 44.54 C ATOM 288 CE LYS A 20 -4.757 14.599 21.565 1.00 2.01 C ATOM 289 NZ LYS A 20 -6.175 14.241 21.287 1.00 13.53 N ATOM 0 H LYS A 20 0.327 12.828 18.930 1.00 4.14 H new ATOM 0 HA LYS A 20 -0.077 14.813 20.885 1.00 41.33 H new ATOM 0 HB2 LYS A 20 -1.691 13.109 19.684 1.00 74.13 H new ATOM 0 HB3 LYS A 20 -1.271 12.040 21.007 1.00 74.13 H new ATOM 0 HG2 LYS A 20 -2.300 13.393 22.618 1.00 44.44 H new ATOM 0 HG3 LYS A 20 -2.190 14.838 21.632 1.00 44.44 H new ATOM 0 HD2 LYS A 20 -3.787 13.502 19.993 1.00 44.54 H new ATOM 0 HD3 LYS A 20 -4.142 12.546 21.418 1.00 44.54 H new ATOM 0 HE2 LYS A 20 -4.624 14.751 22.636 1.00 2.01 H new ATOM 0 HE3 LYS A 20 -4.519 15.544 21.077 1.00 2.01 H new ATOM 0 HZ1 LYS A 20 -6.798 14.999 21.630 1.00 13.53 H new ATOM 0 HZ2 LYS A 20 -6.308 14.121 20.263 1.00 13.53 H new ATOM 0 HZ3 LYS A 20 -6.411 13.352 21.773 1.00 13.53 H new ATOM 303 N LYS A 21 1.135 11.945 22.016 1.00 35.42 N ATOM 304 CA LYS A 21 1.849 11.335 23.132 1.00 54.55 C ATOM 305 C LYS A 21 3.302 11.797 23.165 1.00 54.24 C ATOM 306 O LYS A 21 3.878 11.990 24.236 1.00 31.21 O ATOM 307 CB LYS A 21 1.790 9.809 23.029 1.00 73.14 C ATOM 308 CG LYS A 21 2.406 9.261 21.753 1.00 45.20 C ATOM 309 CD LYS A 21 2.303 7.747 21.690 1.00 34.20 C ATOM 310 CE LYS A 21 3.512 7.079 22.327 1.00 61.01 C ATOM 311 NZ LYS A 21 3.352 5.601 22.405 1.00 74.33 N ATOM 0 H LYS A 21 0.943 11.310 21.241 1.00 35.42 H new ATOM 0 HA LYS A 21 1.365 11.649 24.057 1.00 54.55 H new ATOM 0 HB2 LYS A 21 2.305 9.375 23.886 1.00 73.14 H new ATOM 0 HB3 LYS A 21 0.750 9.489 23.087 1.00 73.14 H new ATOM 0 HG2 LYS A 21 1.904 9.697 20.889 1.00 45.20 H new ATOM 0 HG3 LYS A 21 3.453 9.558 21.697 1.00 45.20 H new ATOM 0 HD2 LYS A 21 1.396 7.422 22.199 1.00 34.20 H new ATOM 0 HD3 LYS A 21 2.216 7.430 20.651 1.00 34.20 H new ATOM 0 HE2 LYS A 21 4.405 7.318 21.749 1.00 61.01 H new ATOM 0 HE3 LYS A 21 3.663 7.481 23.329 1.00 61.01 H new ATOM 0 HZ1 LYS A 21 4.197 5.183 22.845 1.00 74.33 H new ATOM 0 HZ2 LYS A 21 2.514 5.372 22.977 1.00 74.33 H new ATOM 0 HZ3 LYS A 21 3.233 5.214 21.447 1.00 74.33 H new ATOM 325 N LEU A 22 3.890 11.974 21.987 1.00 3.14 N ATOM 326 CA LEU A 22 5.275 12.416 21.881 1.00 53.15 C ATOM 327 C LEU A 22 5.465 13.777 22.542 1.00 51.55 C ATOM 328 O LEU A 22 6.465 14.016 23.222 1.00 4.51 O ATOM 329 CB LEU A 22 5.699 12.486 20.413 1.00 1.03 C ATOM 330 CG LEU A 22 7.160 12.855 20.152 1.00 64.24 C ATOM 331 CD1 LEU A 22 8.085 11.750 20.640 1.00 65.24 C ATOM 332 CD2 LEU A 22 7.385 13.127 18.672 1.00 72.34 C ATOM 0 H LEU A 22 3.428 11.818 21.091 1.00 3.14 H new ATOM 0 HA LEU A 22 5.902 11.690 22.399 1.00 53.15 H new ATOM 0 HB2 LEU A 22 5.502 11.518 19.952 1.00 1.03 H new ATOM 0 HB3 LEU A 22 5.065 13.215 19.907 1.00 1.03 H new ATOM 0 HG LEU A 22 7.390 13.765 20.707 1.00 64.24 H new ATOM 0 HD11 LEU A 22 9.120 12.030 20.446 1.00 65.24 H new ATOM 0 HD12 LEU A 22 7.943 11.603 21.711 1.00 65.24 H new ATOM 0 HD13 LEU A 22 7.855 10.824 20.113 1.00 65.24 H new ATOM 0 HD21 LEU A 22 8.430 13.388 18.505 1.00 72.34 H new ATOM 0 HD22 LEU A 22 7.137 12.235 18.096 1.00 72.34 H new ATOM 0 HD23 LEU A 22 6.749 13.953 18.353 1.00 72.34 H new ATOM 344 N LEU A 23 4.499 14.667 22.340 1.00 73.41 N ATOM 345 CA LEU A 23 4.558 16.005 22.919 1.00 31.14 C ATOM 346 C LEU A 23 4.733 15.936 24.433 1.00 41.32 C ATOM 347 O LEU A 23 5.331 16.825 25.040 1.00 12.13 O ATOM 348 CB LEU A 23 3.289 16.786 22.575 1.00 42.25 C ATOM 349 CG LEU A 23 3.490 18.074 21.777 1.00 40.44 C ATOM 350 CD1 LEU A 23 4.031 17.764 20.390 1.00 41.23 C ATOM 351 CD2 LEU A 23 2.185 18.851 21.680 1.00 43.44 C ATOM 0 H LEU A 23 3.666 14.486 21.780 1.00 73.41 H new ATOM 0 HA LEU A 23 5.420 16.520 22.496 1.00 31.14 H new ATOM 0 HB2 LEU A 23 2.626 16.132 22.009 1.00 42.25 H new ATOM 0 HB3 LEU A 23 2.776 17.034 23.504 1.00 42.25 H new ATOM 0 HG LEU A 23 4.220 18.692 22.300 1.00 40.44 H new ATOM 0 HD11 LEU A 23 4.168 18.693 19.837 1.00 41.23 H new ATOM 0 HD12 LEU A 23 4.988 17.251 20.479 1.00 41.23 H new ATOM 0 HD13 LEU A 23 3.325 17.126 19.858 1.00 41.23 H new ATOM 0 HD21 LEU A 23 2.347 19.765 21.109 1.00 43.44 H new ATOM 0 HD22 LEU A 23 1.434 18.239 21.181 1.00 43.44 H new ATOM 0 HD23 LEU A 23 1.838 19.106 22.681 1.00 43.44 H new ATOM 363 N ASP A 24 4.207 14.875 25.036 1.00 62.44 N ATOM 364 CA ASP A 24 4.307 14.689 26.479 1.00 54.03 C ATOM 365 C ASP A 24 5.761 14.761 26.936 1.00 71.42 C ATOM 366 O ASP A 24 6.058 15.257 28.025 1.00 20.14 O ATOM 367 CB ASP A 24 3.699 13.346 26.885 1.00 21.12 C ATOM 368 CG ASP A 24 3.367 13.283 28.363 1.00 42.44 C ATOM 369 OD1 ASP A 24 2.436 13.998 28.793 1.00 52.03 O ATOM 370 OD2 ASP A 24 4.036 12.520 29.089 1.00 52.24 O ATOM 0 H ASP A 24 3.707 14.131 24.548 1.00 62.44 H new ATOM 0 HA ASP A 24 3.751 15.492 26.963 1.00 54.03 H new ATOM 0 HB2 ASP A 24 2.793 13.170 26.305 1.00 21.12 H new ATOM 0 HB3 ASP A 24 4.396 12.545 26.638 1.00 21.12 H new ATOM 375 N LEU A 25 6.665 14.262 26.099 1.00 42.25 N ATOM 376 CA LEU A 25 8.089 14.269 26.418 1.00 11.23 C ATOM 377 C LEU A 25 8.585 15.690 26.661 1.00 71.05 C ATOM 378 O LEU A 25 9.413 15.928 27.541 1.00 30.04 O ATOM 379 CB LEU A 25 8.888 13.624 25.284 1.00 21.34 C ATOM 380 CG LEU A 25 9.859 12.517 25.694 1.00 54.05 C ATOM 381 CD1 LEU A 25 10.987 13.082 26.544 1.00 3.40 C ATOM 382 CD2 LEU A 25 9.127 11.414 26.442 1.00 25.13 C ATOM 0 H LEU A 25 6.437 13.848 25.195 1.00 42.25 H new ATOM 0 HA LEU A 25 8.235 13.692 27.331 1.00 11.23 H new ATOM 0 HB2 LEU A 25 8.185 13.213 24.559 1.00 21.34 H new ATOM 0 HB3 LEU A 25 9.452 14.405 24.774 1.00 21.34 H new ATOM 0 HG LEU A 25 10.292 12.089 24.790 1.00 54.05 H new ATOM 0 HD11 LEU A 25 11.668 12.279 26.826 1.00 3.40 H new ATOM 0 HD12 LEU A 25 11.531 13.835 25.973 1.00 3.40 H new ATOM 0 HD13 LEU A 25 10.572 13.538 27.443 1.00 3.40 H new ATOM 0 HD21 LEU A 25 9.835 10.635 26.726 1.00 25.13 H new ATOM 0 HD22 LEU A 25 8.664 11.827 27.338 1.00 25.13 H new ATOM 0 HD23 LEU A 25 8.357 10.988 25.799 1.00 25.13 H new ATOM 394 N VAL A 26 8.074 16.633 25.877 1.00 4.31 N ATOM 395 CA VAL A 26 8.463 18.033 26.009 1.00 21.15 C ATOM 396 C VAL A 26 7.937 18.629 27.310 1.00 35.44 C ATOM 397 O VAL A 26 8.692 19.213 28.085 1.00 73.14 O ATOM 398 CB VAL A 26 7.946 18.873 24.826 1.00 60.20 C ATOM 399 CG1 VAL A 26 8.459 20.301 24.921 1.00 54.33 C ATOM 400 CG2 VAL A 26 8.351 18.238 23.505 1.00 53.21 C ATOM 0 H VAL A 26 7.389 16.454 25.143 1.00 4.31 H new ATOM 0 HA VAL A 26 9.553 18.060 26.015 1.00 21.15 H new ATOM 0 HB VAL A 26 6.857 18.900 24.870 1.00 60.20 H new ATOM 0 HG11 VAL A 26 8.084 20.879 24.077 1.00 54.33 H new ATOM 0 HG12 VAL A 26 8.113 20.751 25.852 1.00 54.33 H new ATOM 0 HG13 VAL A 26 9.549 20.298 24.903 1.00 54.33 H new ATOM 0 HG21 VAL A 26 7.977 18.845 22.680 1.00 53.21 H new ATOM 0 HG22 VAL A 26 9.438 18.178 23.448 1.00 53.21 H new ATOM 0 HG23 VAL A 26 7.928 17.235 23.439 1.00 53.21 H new ATOM 410 N GLN A 27 6.638 18.476 27.542 1.00 21.33 N ATOM 411 CA GLN A 27 6.011 18.999 28.750 1.00 13.44 C ATOM 412 C GLN A 27 6.589 18.336 29.995 1.00 50.31 C ATOM 413 O GLN A 27 6.652 18.946 31.062 1.00 31.30 O ATOM 414 CB GLN A 27 4.497 18.783 28.699 1.00 73.44 C ATOM 415 CG GLN A 27 3.726 19.645 29.686 1.00 43.32 C ATOM 416 CD GLN A 27 2.710 18.853 30.484 1.00 63.32 C ATOM 417 OE1 GLN A 27 1.852 18.175 29.919 1.00 5.25 O ATOM 418 NE2 GLN A 27 2.803 18.933 31.807 1.00 15.53 N ATOM 0 H GLN A 27 5.999 17.994 26.910 1.00 21.33 H new ATOM 0 HA GLN A 27 6.217 20.068 28.802 1.00 13.44 H new ATOM 0 HB2 GLN A 27 4.142 18.994 27.690 1.00 73.44 H new ATOM 0 HB3 GLN A 27 4.281 17.734 28.900 1.00 73.44 H new ATOM 0 HG2 GLN A 27 4.427 20.122 30.370 1.00 43.32 H new ATOM 0 HG3 GLN A 27 3.216 20.442 29.145 1.00 43.32 H new ATOM 0 HE21 GLN A 27 3.530 19.507 32.233 1.00 15.53 H new ATOM 0 HE22 GLN A 27 2.147 18.420 32.396 1.00 15.53 H new ATOM 427 N GLN A 28 7.011 17.084 29.851 1.00 71.10 N ATOM 428 CA GLN A 28 7.584 16.337 30.965 1.00 22.01 C ATOM 429 C GLN A 28 9.000 16.813 31.267 1.00 74.34 C ATOM 430 O GLN A 28 9.445 16.783 32.415 1.00 14.35 O ATOM 431 CB GLN A 28 7.591 14.840 30.653 1.00 44.10 C ATOM 432 CG GLN A 28 6.235 14.176 30.826 1.00 22.32 C ATOM 433 CD GLN A 28 6.149 13.343 32.091 1.00 40.10 C ATOM 434 OE1 GLN A 28 6.347 12.128 32.063 1.00 12.30 O ATOM 435 NE2 GLN A 28 5.854 13.995 33.210 1.00 1.15 N ATOM 0 H GLN A 28 6.967 16.565 28.974 1.00 71.10 H new ATOM 0 HA GLN A 28 6.966 16.514 31.845 1.00 22.01 H new ATOM 0 HB2 GLN A 28 7.930 14.693 29.628 1.00 44.10 H new ATOM 0 HB3 GLN A 28 8.314 14.346 31.302 1.00 44.10 H new ATOM 0 HG2 GLN A 28 5.460 14.942 30.847 1.00 22.32 H new ATOM 0 HG3 GLN A 28 6.033 13.541 29.963 1.00 22.32 H new ATOM 0 HE21 GLN A 28 5.698 15.003 33.187 1.00 1.15 H new ATOM 0 HE22 GLN A 28 5.784 13.488 34.092 1.00 1.15 H new ATOM 444 N SER A 29 9.706 17.251 30.230 1.00 40.14 N ATOM 445 CA SER A 29 11.075 17.730 30.383 1.00 33.10 C ATOM 446 C SER A 29 11.109 19.037 31.169 1.00 60.14 C ATOM 447 O SER A 29 11.842 19.165 32.151 1.00 71.32 O ATOM 448 CB SER A 29 11.726 17.928 29.013 1.00 32.51 C ATOM 449 OG SER A 29 13.117 18.168 29.138 1.00 22.11 O ATOM 0 H SER A 29 9.352 17.284 29.274 1.00 40.14 H new ATOM 0 HA SER A 29 11.636 16.978 30.938 1.00 33.10 H new ATOM 0 HB2 SER A 29 11.560 17.044 28.397 1.00 32.51 H new ATOM 0 HB3 SER A 29 11.254 18.766 28.501 1.00 32.51 H new ATOM 0 HG SER A 29 13.262 19.037 29.566 1.00 22.11 H new ATOM 455 N CYS A 30 10.312 20.004 30.730 1.00 42.31 N ATOM 456 CA CYS A 30 10.249 21.303 31.391 1.00 71.14 C ATOM 457 C CYS A 30 9.701 21.166 32.808 1.00 54.53 C ATOM 458 O CYS A 30 10.005 21.977 33.682 1.00 34.32 O ATOM 459 CB CYS A 30 9.380 22.267 30.585 1.00 43.30 C ATOM 460 SG CYS A 30 7.621 21.848 30.581 1.00 22.11 S ATOM 0 H CYS A 30 9.700 19.914 29.919 1.00 42.31 H new ATOM 0 HA CYS A 30 11.261 21.703 31.450 1.00 71.14 H new ATOM 0 HB2 CYS A 30 9.502 23.273 30.988 1.00 43.30 H new ATOM 0 HB3 CYS A 30 9.739 22.290 29.556 1.00 43.30 H new ATOM 0 HG CYS A 30 7.478 20.575 30.803 1.00 22.11 H new ATOM 466 N ASN A 31 8.890 20.137 33.025 1.00 24.42 N ATOM 467 CA ASN A 31 8.296 19.896 34.336 1.00 51.21 C ATOM 468 C ASN A 31 9.376 19.656 35.387 1.00 12.32 C ATOM 469 O ASN A 31 9.166 19.901 36.574 1.00 62.52 O ATOM 470 CB ASN A 31 7.350 18.695 34.277 1.00 20.44 C ATOM 471 CG ASN A 31 6.365 18.677 35.430 1.00 62.14 C ATOM 472 OD1 ASN A 31 6.697 19.062 36.551 1.00 45.13 O ATOM 473 ND2 ASN A 31 5.145 18.229 35.159 1.00 12.31 N ATOM 0 H ASN A 31 8.629 19.457 32.311 1.00 24.42 H new ATOM 0 HA ASN A 31 7.729 20.783 34.619 1.00 51.21 H new ATOM 0 HB2 ASN A 31 6.802 18.714 33.335 1.00 20.44 H new ATOM 0 HB3 ASN A 31 7.934 17.775 34.288 1.00 20.44 H new ATOM 0 HD21 ASN A 31 4.439 18.194 35.895 1.00 12.31 H new ATOM 0 HD22 ASN A 31 4.913 17.920 34.215 1.00 12.31 H new ATOM 480 N TYR A 32 10.531 19.176 34.940 1.00 41.33 N ATOM 481 CA TYR A 32 11.644 18.902 35.842 1.00 5.31 C ATOM 482 C TYR A 32 12.706 19.993 35.743 1.00 74.21 C ATOM 483 O TYR A 32 13.880 19.760 36.035 1.00 42.24 O ATOM 484 CB TYR A 32 12.264 17.541 35.522 1.00 1.45 C ATOM 485 CG TYR A 32 12.214 16.566 36.676 1.00 44.24 C ATOM 486 CD1 TYR A 32 13.098 16.677 37.743 1.00 0.55 C ATOM 487 CD2 TYR A 32 11.283 15.535 36.701 1.00 21.32 C ATOM 488 CE1 TYR A 32 13.056 15.788 38.799 1.00 61.23 C ATOM 489 CE2 TYR A 32 11.234 14.642 37.755 1.00 41.32 C ATOM 490 CZ TYR A 32 12.122 14.774 38.801 1.00 34.30 C ATOM 491 OH TYR A 32 12.078 13.887 39.853 1.00 13.21 O ATOM 0 H TYR A 32 10.721 18.969 33.960 1.00 41.33 H new ATOM 0 HA TYR A 32 11.258 18.887 36.861 1.00 5.31 H new ATOM 0 HB2 TYR A 32 11.745 17.107 34.668 1.00 1.45 H new ATOM 0 HB3 TYR A 32 13.303 17.685 35.224 1.00 1.45 H new ATOM 0 HD1 TYR A 32 13.830 17.471 37.746 1.00 0.55 H new ATOM 0 HD2 TYR A 32 10.586 15.429 35.883 1.00 21.32 H new ATOM 0 HE1 TYR A 32 13.752 15.887 39.619 1.00 61.23 H new ATOM 0 HE2 TYR A 32 10.504 13.846 37.759 1.00 41.32 H new ATOM 0 HH TYR A 32 11.363 13.234 39.701 1.00 13.21 H new ATOM 501 N LYS A 33 12.286 21.183 35.332 1.00 54.31 N ATOM 502 CA LYS A 33 13.199 22.312 35.195 1.00 43.03 C ATOM 503 C LYS A 33 14.304 22.001 34.190 1.00 24.03 C ATOM 504 O LYS A 33 15.457 22.382 34.385 1.00 64.45 O ATOM 505 CB LYS A 33 13.813 22.665 36.552 1.00 13.15 C ATOM 506 CG LYS A 33 12.784 22.884 37.647 1.00 51.41 C ATOM 507 CD LYS A 33 13.092 24.129 38.462 1.00 53.40 C ATOM 508 CE LYS A 33 11.878 24.595 39.249 1.00 4.21 C ATOM 509 NZ LYS A 33 11.386 25.920 38.776 1.00 24.21 N ATOM 0 H LYS A 33 11.318 21.392 35.087 1.00 54.31 H new ATOM 0 HA LYS A 33 12.629 23.165 34.828 1.00 43.03 H new ATOM 0 HB2 LYS A 33 14.489 21.865 36.855 1.00 13.15 H new ATOM 0 HB3 LYS A 33 14.415 23.567 36.445 1.00 13.15 H new ATOM 0 HG2 LYS A 33 11.793 22.975 37.203 1.00 51.41 H new ATOM 0 HG3 LYS A 33 12.760 22.015 38.304 1.00 51.41 H new ATOM 0 HD2 LYS A 33 13.914 23.922 39.148 1.00 53.40 H new ATOM 0 HD3 LYS A 33 13.424 24.927 37.798 1.00 53.40 H new ATOM 0 HE2 LYS A 33 11.081 23.858 39.157 1.00 4.21 H new ATOM 0 HE3 LYS A 33 12.133 24.659 40.307 1.00 4.21 H new ATOM 0 HZ1 LYS A 33 10.558 26.203 39.337 1.00 24.21 H new ATOM 0 HZ2 LYS A 33 12.138 26.629 38.887 1.00 24.21 H new ATOM 0 HZ3 LYS A 33 11.118 25.853 37.773 1.00 24.21 H new ATOM 523 N GLN A 34 13.942 21.308 33.115 1.00 44.13 N ATOM 524 CA GLN A 34 14.903 20.947 32.081 1.00 52.44 C ATOM 525 C GLN A 34 14.311 21.158 30.691 1.00 32.30 C ATOM 526 O GLN A 34 13.172 20.771 30.424 1.00 64.43 O ATOM 527 CB GLN A 34 15.341 19.492 32.246 1.00 23.33 C ATOM 528 CG GLN A 34 16.811 19.335 32.601 1.00 60.24 C ATOM 529 CD GLN A 34 17.178 17.907 32.953 1.00 4.44 C ATOM 530 OE1 GLN A 34 17.879 17.658 33.934 1.00 23.30 O ATOM 531 NE2 GLN A 34 16.704 16.959 32.152 1.00 5.11 N ATOM 0 H GLN A 34 12.991 20.986 32.938 1.00 44.13 H new ATOM 0 HA GLN A 34 15.773 21.594 32.188 1.00 52.44 H new ATOM 0 HB2 GLN A 34 14.736 19.025 33.024 1.00 23.33 H new ATOM 0 HB3 GLN A 34 15.140 18.954 31.320 1.00 23.33 H new ATOM 0 HG2 GLN A 34 17.421 19.666 31.760 1.00 60.24 H new ATOM 0 HG3 GLN A 34 17.049 19.985 33.443 1.00 60.24 H new ATOM 0 HE21 GLN A 34 16.127 17.211 31.350 1.00 5.11 H new ATOM 0 HE22 GLN A 34 16.917 15.979 32.339 1.00 5.11 H new ATOM 540 N LEU A 35 15.091 21.772 29.808 1.00 25.34 N ATOM 541 CA LEU A 35 14.643 22.034 28.445 1.00 53.43 C ATOM 542 C LEU A 35 15.804 22.499 27.570 1.00 65.33 C ATOM 543 O LEU A 35 16.901 22.760 28.066 1.00 15.33 O ATOM 544 CB LEU A 35 13.535 23.089 28.444 1.00 2.32 C ATOM 545 CG LEU A 35 12.154 22.611 27.992 1.00 74.55 C ATOM 546 CD1 LEU A 35 11.163 23.764 27.993 1.00 42.14 C ATOM 547 CD2 LEU A 35 12.235 21.976 26.611 1.00 64.12 C ATOM 0 H LEU A 35 16.036 22.097 30.011 1.00 25.34 H new ATOM 0 HA LEU A 35 14.251 21.104 28.033 1.00 53.43 H new ATOM 0 HB2 LEU A 35 13.445 23.494 29.452 1.00 2.32 H new ATOM 0 HB3 LEU A 35 13.843 23.910 27.797 1.00 2.32 H new ATOM 0 HG LEU A 35 11.803 21.857 28.697 1.00 74.55 H new ATOM 0 HD11 LEU A 35 10.186 23.405 27.669 1.00 42.14 H new ATOM 0 HD12 LEU A 35 11.083 24.174 29.000 1.00 42.14 H new ATOM 0 HD13 LEU A 35 11.508 24.541 27.311 1.00 42.14 H new ATOM 0 HD21 LEU A 35 11.244 21.642 26.306 1.00 64.12 H new ATOM 0 HD22 LEU A 35 12.608 22.709 25.895 1.00 64.12 H new ATOM 0 HD23 LEU A 35 12.912 21.122 26.642 1.00 64.12 H new ATOM 559 N ARG A 36 15.554 22.605 26.270 1.00 21.13 N ATOM 560 CA ARG A 36 16.577 23.040 25.328 1.00 13.54 C ATOM 561 C ARG A 36 15.966 23.339 23.961 1.00 70.15 C ATOM 562 O ARG A 36 15.192 22.544 23.427 1.00 61.24 O ATOM 563 CB ARG A 36 17.662 21.970 25.189 1.00 21.22 C ATOM 564 CG ARG A 36 18.984 22.506 24.665 1.00 1.25 C ATOM 565 CD ARG A 36 19.885 22.972 25.798 1.00 3.01 C ATOM 566 NE ARG A 36 20.779 24.048 25.379 1.00 35.31 N ATOM 567 CZ ARG A 36 21.646 24.641 26.192 1.00 64.13 C ATOM 568 NH1 ARG A 36 21.734 24.266 27.460 1.00 32.50 N ATOM 569 NH2 ARG A 36 22.426 25.612 25.737 1.00 43.32 N ATOM 0 H ARG A 36 14.651 22.395 25.845 1.00 21.13 H new ATOM 0 HA ARG A 36 17.025 23.955 25.715 1.00 13.54 H new ATOM 0 HB2 ARG A 36 17.828 21.505 26.161 1.00 21.22 H new ATOM 0 HB3 ARG A 36 17.305 21.188 24.518 1.00 21.22 H new ATOM 0 HG2 ARG A 36 19.491 21.730 24.092 1.00 1.25 H new ATOM 0 HG3 ARG A 36 18.797 23.335 23.983 1.00 1.25 H new ATOM 0 HD2 ARG A 36 19.272 23.314 26.632 1.00 3.01 H new ATOM 0 HD3 ARG A 36 20.475 22.131 26.161 1.00 3.01 H new ATOM 0 HE ARG A 36 20.735 24.361 24.409 1.00 35.31 H new ATOM 0 HH11 ARG A 36 21.135 23.520 27.814 1.00 32.50 H new ATOM 0 HH12 ARG A 36 22.401 24.723 28.082 1.00 32.50 H new ATOM 0 HH21 ARG A 36 22.361 25.904 24.762 1.00 43.32 H new ATOM 0 HH22 ARG A 36 23.091 26.067 26.362 1.00 43.32 H new ATOM 583 N LYS A 37 16.319 24.490 23.400 1.00 64.14 N ATOM 584 CA LYS A 37 15.807 24.896 22.096 1.00 72.53 C ATOM 585 C LYS A 37 16.924 25.465 21.227 1.00 74.52 C ATOM 586 O LYS A 37 17.368 26.594 21.431 1.00 32.30 O ATOM 587 CB LYS A 37 14.696 25.935 22.263 1.00 33.02 C ATOM 588 CG LYS A 37 13.684 25.576 23.337 1.00 42.03 C ATOM 589 CD LYS A 37 14.064 26.174 24.681 1.00 63.35 C ATOM 590 CE LYS A 37 13.632 27.629 24.788 1.00 55.44 C ATOM 591 NZ LYS A 37 14.798 28.556 24.779 1.00 52.05 N ATOM 0 H LYS A 37 16.958 25.159 23.828 1.00 64.14 H new ATOM 0 HA LYS A 37 15.400 24.014 21.602 1.00 72.53 H new ATOM 0 HB2 LYS A 37 15.144 26.898 22.506 1.00 33.02 H new ATOM 0 HB3 LYS A 37 14.177 26.056 21.312 1.00 33.02 H new ATOM 0 HG2 LYS A 37 12.697 25.935 23.044 1.00 42.03 H new ATOM 0 HG3 LYS A 37 13.615 24.492 23.426 1.00 42.03 H new ATOM 0 HD2 LYS A 37 13.601 25.596 25.481 1.00 63.35 H new ATOM 0 HD3 LYS A 37 15.143 26.103 24.820 1.00 63.35 H new ATOM 0 HE2 LYS A 37 12.968 27.873 23.959 1.00 55.44 H new ATOM 0 HE3 LYS A 37 13.061 27.772 25.706 1.00 55.44 H new ATOM 0 HZ1 LYS A 37 14.522 29.457 24.339 1.00 52.05 H new ATOM 0 HZ2 LYS A 37 15.111 28.729 25.755 1.00 52.05 H new ATOM 0 HZ3 LYS A 37 15.576 28.130 24.236 1.00 52.05 H new ATOM 605 N GLY A 38 17.373 24.676 20.255 1.00 24.23 N ATOM 606 CA GLY A 38 18.433 25.119 19.369 1.00 11.32 C ATOM 607 C GLY A 38 18.680 24.150 18.231 1.00 21.24 C ATOM 608 O GLY A 38 18.854 22.951 18.454 1.00 42.24 O ATOM 0 H GLY A 38 17.021 23.738 20.066 1.00 24.23 H new ATOM 0 HA2 GLY A 38 18.176 26.096 18.961 1.00 11.32 H new ATOM 0 HA3 GLY A 38 19.352 25.244 19.941 1.00 11.32 H new ATOM 612 N ALA A 39 18.694 24.667 17.007 1.00 42.52 N ATOM 613 CA ALA A 39 18.922 23.838 15.829 1.00 23.20 C ATOM 614 C ALA A 39 20.362 23.337 15.781 1.00 62.31 C ATOM 615 O ALA A 39 20.610 22.133 15.802 1.00 70.31 O ATOM 616 CB ALA A 39 18.590 24.616 14.564 1.00 71.32 C ATOM 0 H ALA A 39 18.550 25.656 16.805 1.00 42.52 H new ATOM 0 HA ALA A 39 18.265 22.971 15.892 1.00 23.20 H new ATOM 0 HB1 ALA A 39 18.765 23.985 13.692 1.00 71.32 H new ATOM 0 HB2 ALA A 39 17.544 24.920 14.588 1.00 71.32 H new ATOM 0 HB3 ALA A 39 19.224 25.501 14.504 1.00 71.32 H new ATOM 622 N ASN A 40 21.307 24.270 15.717 1.00 10.44 N ATOM 623 CA ASN A 40 22.721 23.921 15.664 1.00 41.04 C ATOM 624 C ASN A 40 23.180 23.307 16.983 1.00 24.33 C ATOM 625 O ASN A 40 24.137 22.535 17.020 1.00 40.11 O ATOM 626 CB ASN A 40 23.562 25.161 15.347 1.00 14.31 C ATOM 627 CG ASN A 40 24.441 24.965 14.127 1.00 44.42 C ATOM 628 OD1 ASN A 40 24.017 24.380 13.129 1.00 45.44 O ATOM 629 ND2 ASN A 40 25.672 25.457 14.200 1.00 61.43 N ATOM 0 H ASN A 40 21.119 25.272 15.701 1.00 10.44 H new ATOM 0 HA ASN A 40 22.858 23.184 14.873 1.00 41.04 H new ATOM 0 HB2 ASN A 40 22.902 26.013 15.183 1.00 14.31 H new ATOM 0 HB3 ASN A 40 24.187 25.403 16.207 1.00 14.31 H new ATOM 0 HD21 ASN A 40 26.309 25.358 13.409 1.00 61.43 H new ATOM 0 HD22 ASN A 40 25.981 25.934 15.047 1.00 61.43 H new ATOM 636 N GLU A 41 22.488 23.656 18.064 1.00 55.13 N ATOM 637 CA GLU A 41 22.825 23.138 19.385 1.00 21.23 C ATOM 638 C GLU A 41 22.656 21.622 19.435 1.00 12.22 C ATOM 639 O GLU A 41 23.324 20.938 20.209 1.00 61.44 O ATOM 640 CB GLU A 41 21.948 23.795 20.453 1.00 62.04 C ATOM 641 CG GLU A 41 22.171 25.293 20.588 1.00 35.35 C ATOM 642 CD GLU A 41 21.646 25.845 21.898 1.00 1.40 C ATOM 643 OE1 GLU A 41 20.775 25.191 22.510 1.00 3.01 O ATOM 644 OE2 GLU A 41 22.104 26.930 22.311 1.00 61.42 O ATOM 0 H GLU A 41 21.692 24.294 18.051 1.00 55.13 H new ATOM 0 HA GLU A 41 23.870 23.376 19.585 1.00 21.23 H new ATOM 0 HB2 GLU A 41 20.900 23.612 20.213 1.00 62.04 H new ATOM 0 HB3 GLU A 41 22.143 23.319 21.414 1.00 62.04 H new ATOM 0 HG2 GLU A 41 23.237 25.506 20.509 1.00 35.35 H new ATOM 0 HG3 GLU A 41 21.681 25.805 19.760 1.00 35.35 H new ATOM 651 N ALA A 42 21.758 21.105 18.603 1.00 4.33 N ATOM 652 CA ALA A 42 21.501 19.671 18.551 1.00 32.10 C ATOM 653 C ALA A 42 22.798 18.888 18.377 1.00 31.32 C ATOM 654 O ALA A 42 22.985 17.834 18.986 1.00 55.52 O ATOM 655 CB ALA A 42 20.534 19.349 17.422 1.00 25.12 C ATOM 0 H ALA A 42 21.196 21.658 17.956 1.00 4.33 H new ATOM 0 HA ALA A 42 21.050 19.373 19.497 1.00 32.10 H new ATOM 0 HB1 ALA A 42 20.351 18.275 17.395 1.00 25.12 H new ATOM 0 HB2 ALA A 42 19.593 19.873 17.588 1.00 25.12 H new ATOM 0 HB3 ALA A 42 20.964 19.668 16.473 1.00 25.12 H new ATOM 661 N THR A 43 23.692 19.409 17.543 1.00 22.11 N ATOM 662 CA THR A 43 24.971 18.758 17.288 1.00 4.32 C ATOM 663 C THR A 43 25.870 18.810 18.518 1.00 2.31 C ATOM 664 O THR A 43 26.706 17.932 18.727 1.00 54.40 O ATOM 665 CB THR A 43 25.707 19.409 16.102 1.00 10.55 C ATOM 666 OG1 THR A 43 26.214 20.692 16.484 1.00 2.11 O ATOM 667 CG2 THR A 43 24.777 19.562 14.907 1.00 10.23 C ATOM 0 H THR A 43 23.554 20.281 17.032 1.00 22.11 H new ATOM 0 HA THR A 43 24.752 17.718 17.044 1.00 4.32 H new ATOM 0 HB THR A 43 26.536 18.761 15.818 1.00 10.55 H new ATOM 0 HG1 THR A 43 25.466 21.300 16.659 1.00 2.11 H new ATOM 0 HG21 THR A 43 25.318 20.024 14.081 1.00 10.23 H new ATOM 0 HG22 THR A 43 24.415 18.581 14.600 1.00 10.23 H new ATOM 0 HG23 THR A 43 23.931 20.191 15.183 1.00 10.23 H new ATOM 675 N LYS A 44 25.690 19.844 19.333 1.00 12.22 N ATOM 676 CA LYS A 44 26.483 20.010 20.545 1.00 41.15 C ATOM 677 C LYS A 44 25.964 19.111 21.663 1.00 10.21 C ATOM 678 O LYS A 44 26.739 18.438 22.343 1.00 41.04 O ATOM 679 CB LYS A 44 26.458 21.472 20.999 1.00 32.41 C ATOM 680 CG LYS A 44 27.832 22.031 21.325 1.00 54.52 C ATOM 681 CD LYS A 44 27.790 22.944 22.538 1.00 22.04 C ATOM 682 CE LYS A 44 27.503 24.384 22.142 1.00 41.30 C ATOM 683 NZ LYS A 44 27.908 25.344 23.207 1.00 11.24 N ATOM 0 H LYS A 44 25.001 20.580 19.176 1.00 12.22 H new ATOM 0 HA LYS A 44 27.510 19.723 20.319 1.00 41.15 H new ATOM 0 HB2 LYS A 44 26.004 22.079 20.216 1.00 32.41 H new ATOM 0 HB3 LYS A 44 25.821 21.560 21.879 1.00 32.41 H new ATOM 0 HG2 LYS A 44 28.525 21.210 21.510 1.00 54.52 H new ATOM 0 HG3 LYS A 44 28.214 22.583 20.466 1.00 54.52 H new ATOM 0 HD2 LYS A 44 27.023 22.596 23.230 1.00 22.04 H new ATOM 0 HD3 LYS A 44 28.742 22.894 23.066 1.00 22.04 H new ATOM 0 HE2 LYS A 44 28.034 24.620 21.220 1.00 41.30 H new ATOM 0 HE3 LYS A 44 26.439 24.499 21.935 1.00 41.30 H new ATOM 0 HZ1 LYS A 44 27.696 26.314 22.899 1.00 11.24 H new ATOM 0 HZ2 LYS A 44 27.383 25.136 24.080 1.00 11.24 H new ATOM 0 HZ3 LYS A 44 28.928 25.253 23.387 1.00 11.24 H new ATOM 697 N THR A 45 24.647 19.102 21.846 1.00 55.42 N ATOM 698 CA THR A 45 24.025 18.285 22.880 1.00 10.31 C ATOM 699 C THR A 45 24.486 16.835 22.786 1.00 65.43 C ATOM 700 O THR A 45 24.798 16.206 23.799 1.00 13.40 O ATOM 701 CB THR A 45 22.488 18.331 22.782 1.00 0.22 C ATOM 702 OG1 THR A 45 22.081 18.246 21.412 1.00 44.02 O ATOM 703 CG2 THR A 45 21.944 19.610 23.401 1.00 51.41 C ATOM 0 H THR A 45 23.991 19.652 21.291 1.00 55.42 H new ATOM 0 HA THR A 45 24.333 18.700 23.840 1.00 10.31 H new ATOM 0 HB THR A 45 22.085 17.481 23.332 1.00 0.22 H new ATOM 0 HG1 THR A 45 22.862 18.060 20.850 1.00 44.02 H new ATOM 0 HG21 THR A 45 20.857 19.620 23.320 1.00 51.41 H new ATOM 0 HG22 THR A 45 22.230 19.656 24.452 1.00 51.41 H new ATOM 0 HG23 THR A 45 22.355 20.472 22.875 1.00 51.41 H new ATOM 711 N LEU A 46 24.528 16.310 21.567 1.00 40.22 N ATOM 712 CA LEU A 46 24.953 14.933 21.342 1.00 2.35 C ATOM 713 C LEU A 46 26.465 14.798 21.489 1.00 0.44 C ATOM 714 O LEU A 46 26.969 13.749 21.887 1.00 51.54 O ATOM 715 CB LEU A 46 24.519 14.466 19.951 1.00 53.25 C ATOM 716 CG LEU A 46 23.818 13.110 19.886 1.00 30.43 C ATOM 717 CD1 LEU A 46 23.553 12.713 18.442 1.00 32.22 C ATOM 718 CD2 LEU A 46 24.648 12.045 20.590 1.00 73.22 C ATOM 0 H LEU A 46 24.273 16.817 20.719 1.00 40.22 H new ATOM 0 HA LEU A 46 24.477 14.304 22.094 1.00 2.35 H new ATOM 0 HB2 LEU A 46 23.852 15.218 19.529 1.00 53.25 H new ATOM 0 HB3 LEU A 46 25.401 14.428 19.311 1.00 53.25 H new ATOM 0 HG LEU A 46 22.860 13.194 20.399 1.00 30.43 H new ATOM 0 HD11 LEU A 46 23.053 11.745 18.417 1.00 32.22 H new ATOM 0 HD12 LEU A 46 22.917 13.462 17.970 1.00 32.22 H new ATOM 0 HD13 LEU A 46 24.498 12.648 17.903 1.00 32.22 H new ATOM 0 HD21 LEU A 46 24.133 11.086 20.534 1.00 73.22 H new ATOM 0 HD22 LEU A 46 25.621 11.963 20.106 1.00 73.22 H new ATOM 0 HD23 LEU A 46 24.785 12.322 21.635 1.00 73.22 H new ATOM 730 N ASN A 47 27.184 15.869 21.165 1.00 4.13 N ATOM 731 CA ASN A 47 28.638 15.871 21.262 1.00 74.23 C ATOM 732 C ASN A 47 29.086 15.810 22.719 1.00 44.03 C ATOM 733 O ASN A 47 30.182 15.338 23.023 1.00 3.41 O ATOM 734 CB ASN A 47 29.214 17.120 20.592 1.00 1.42 C ATOM 735 CG ASN A 47 29.761 16.833 19.207 1.00 75.13 C ATOM 736 OD1 ASN A 47 29.401 17.496 18.234 1.00 61.13 O ATOM 737 ND2 ASN A 47 30.637 15.840 19.112 1.00 33.34 N ATOM 0 H ASN A 47 26.782 16.746 20.833 1.00 4.13 H new ATOM 0 HA ASN A 47 29.012 14.986 20.747 1.00 74.23 H new ATOM 0 HB2 ASN A 47 28.438 17.882 20.522 1.00 1.42 H new ATOM 0 HB3 ASN A 47 30.008 17.530 21.216 1.00 1.42 H new ATOM 0 HD21 ASN A 47 31.040 15.600 18.206 1.00 33.34 H new ATOM 0 HD22 ASN A 47 30.907 15.317 19.945 1.00 33.34 H new ATOM 744 N ARG A 48 28.231 16.291 23.616 1.00 31.33 N ATOM 745 CA ARG A 48 28.539 16.292 25.041 1.00 1.20 C ATOM 746 C ARG A 48 28.137 14.969 25.685 1.00 30.35 C ATOM 747 O ARG A 48 28.684 14.576 26.714 1.00 30.11 O ATOM 748 CB ARG A 48 27.821 17.449 25.738 1.00 71.03 C ATOM 749 CG ARG A 48 28.765 18.461 26.366 1.00 74.13 C ATOM 750 CD ARG A 48 28.005 19.530 27.135 1.00 41.14 C ATOM 751 NE ARG A 48 27.624 19.077 28.470 1.00 2.32 N ATOM 752 CZ ARG A 48 26.652 19.633 29.184 1.00 21.55 C ATOM 753 NH1 ARG A 48 25.966 20.657 28.695 1.00 33.02 N ATOM 754 NH2 ARG A 48 26.363 19.164 30.392 1.00 4.13 N ATOM 0 H ARG A 48 27.320 16.685 23.381 1.00 31.33 H new ATOM 0 HA ARG A 48 29.616 16.419 25.155 1.00 1.20 H new ATOM 0 HB2 ARG A 48 27.184 17.959 25.015 1.00 71.03 H new ATOM 0 HB3 ARG A 48 27.167 17.046 26.511 1.00 71.03 H new ATOM 0 HG2 ARG A 48 29.454 17.949 27.038 1.00 74.13 H new ATOM 0 HG3 ARG A 48 29.367 18.930 25.588 1.00 74.13 H new ATOM 0 HD2 ARG A 48 28.622 20.425 27.218 1.00 41.14 H new ATOM 0 HD3 ARG A 48 27.111 19.810 26.578 1.00 41.14 H new ATOM 0 HE ARG A 48 28.132 18.291 28.876 1.00 2.32 H new ATOM 0 HH11 ARG A 48 26.184 21.020 27.767 1.00 33.02 H new ATOM 0 HH12 ARG A 48 25.220 21.081 29.247 1.00 33.02 H new ATOM 0 HH21 ARG A 48 26.888 18.376 30.772 1.00 4.13 H new ATOM 0 HH22 ARG A 48 25.616 19.592 30.940 1.00 4.13 H new ATOM 768 N GLY A 49 27.175 14.285 25.070 1.00 72.33 N ATOM 769 CA GLY A 49 26.717 13.013 25.599 1.00 43.40 C ATOM 770 C GLY A 49 25.530 13.167 26.529 1.00 15.44 C ATOM 771 O GLY A 49 25.401 12.431 27.508 1.00 11.23 O ATOM 0 H GLY A 49 26.706 14.589 24.217 1.00 72.33 H new ATOM 0 HA2 GLY A 49 26.445 12.356 24.773 1.00 43.40 H new ATOM 0 HA3 GLY A 49 27.534 12.530 26.135 1.00 43.40 H new ATOM 775 N ILE A 50 24.661 14.126 26.224 1.00 71.51 N ATOM 776 CA ILE A 50 23.480 14.373 27.042 1.00 54.41 C ATOM 777 C ILE A 50 22.220 14.427 26.185 1.00 14.43 C ATOM 778 O ILE A 50 21.127 14.691 26.685 1.00 31.32 O ATOM 779 CB ILE A 50 23.607 15.689 27.831 1.00 61.33 C ATOM 780 CG1 ILE A 50 23.879 16.856 26.880 1.00 72.34 C ATOM 781 CG2 ILE A 50 24.712 15.578 28.872 1.00 12.23 C ATOM 782 CD1 ILE A 50 22.623 17.474 26.306 1.00 74.23 C ATOM 0 H ILE A 50 24.753 14.744 25.417 1.00 71.51 H new ATOM 0 HA ILE A 50 23.404 13.543 27.745 1.00 54.41 H new ATOM 0 HB ILE A 50 22.666 15.878 28.347 1.00 61.33 H new ATOM 0 HG12 ILE A 50 24.442 17.624 27.412 1.00 72.34 H new ATOM 0 HG13 ILE A 50 24.509 16.508 26.062 1.00 72.34 H new ATOM 0 HG21 ILE A 50 24.790 16.516 29.422 1.00 12.23 H new ATOM 0 HG22 ILE A 50 24.479 14.770 29.565 1.00 12.23 H new ATOM 0 HG23 ILE A 50 25.660 15.369 28.376 1.00 12.23 H new ATOM 0 HD11 ILE A 50 22.892 18.295 25.641 1.00 74.23 H new ATOM 0 HD12 ILE A 50 22.070 16.720 25.746 1.00 74.23 H new ATOM 0 HD13 ILE A 50 22.001 17.853 27.117 1.00 74.23 H new ATOM 794 N SER A 51 22.381 14.175 24.889 1.00 32.13 N ATOM 795 CA SER A 51 21.257 14.196 23.960 1.00 44.15 C ATOM 796 C SER A 51 20.618 12.816 23.847 1.00 70.33 C ATOM 797 O SER A 51 21.200 11.897 23.272 1.00 41.10 O ATOM 798 CB SER A 51 21.717 14.672 22.581 1.00 4.42 C ATOM 799 OG SER A 51 20.857 15.680 22.076 1.00 14.04 O ATOM 0 H SER A 51 23.279 13.954 24.459 1.00 32.13 H new ATOM 0 HA SER A 51 20.512 14.891 24.347 1.00 44.15 H new ATOM 0 HB2 SER A 51 22.735 15.057 22.647 1.00 4.42 H new ATOM 0 HB3 SER A 51 21.739 13.829 21.890 1.00 4.42 H new ATOM 0 HG SER A 51 21.249 16.069 21.267 1.00 14.04 H new ATOM 805 N GLU A 52 19.417 12.680 24.402 1.00 71.23 N ATOM 806 CA GLU A 52 18.699 11.411 24.364 1.00 20.50 C ATOM 807 C GLU A 52 17.517 11.484 23.404 1.00 11.45 C ATOM 808 O GLU A 52 17.156 10.492 22.768 1.00 74.21 O ATOM 809 CB GLU A 52 18.210 11.034 25.765 1.00 40.04 C ATOM 810 CG GLU A 52 18.591 9.624 26.184 1.00 42.03 C ATOM 811 CD GLU A 52 20.070 9.485 26.488 1.00 51.33 C ATOM 812 OE1 GLU A 52 20.772 10.517 26.507 1.00 51.50 O ATOM 813 OE2 GLU A 52 20.525 8.342 26.706 1.00 41.01 O ATOM 0 H GLU A 52 18.922 13.431 24.882 1.00 71.23 H new ATOM 0 HA GLU A 52 19.387 10.644 24.008 1.00 20.50 H new ATOM 0 HB2 GLU A 52 18.620 11.741 26.486 1.00 40.04 H new ATOM 0 HB3 GLU A 52 17.125 11.134 25.801 1.00 40.04 H new ATOM 0 HG2 GLU A 52 18.015 9.343 27.065 1.00 42.03 H new ATOM 0 HG3 GLU A 52 18.320 8.928 25.391 1.00 42.03 H new ATOM 820 N PHE A 53 16.915 12.664 23.303 1.00 11.45 N ATOM 821 CA PHE A 53 15.772 12.867 22.421 1.00 0.33 C ATOM 822 C PHE A 53 15.833 14.239 21.758 1.00 43.20 C ATOM 823 O PHE A 53 16.092 15.248 22.416 1.00 53.12 O ATOM 824 CB PHE A 53 14.465 12.724 23.204 1.00 11.22 C ATOM 825 CG PHE A 53 13.685 11.491 22.849 1.00 34.12 C ATOM 826 CD1 PHE A 53 13.094 11.363 21.603 1.00 14.40 C ATOM 827 CD2 PHE A 53 13.543 10.458 23.762 1.00 42.13 C ATOM 828 CE1 PHE A 53 12.376 10.228 21.274 1.00 44.30 C ATOM 829 CE2 PHE A 53 12.826 9.321 23.439 1.00 63.21 C ATOM 830 CZ PHE A 53 12.242 9.206 22.193 1.00 50.43 C ATOM 0 H PHE A 53 17.200 13.495 23.822 1.00 11.45 H new ATOM 0 HA PHE A 53 15.806 12.105 21.642 1.00 0.33 H new ATOM 0 HB2 PHE A 53 14.690 12.707 24.270 1.00 11.22 H new ATOM 0 HB3 PHE A 53 13.844 13.602 23.023 1.00 11.22 H new ATOM 0 HD1 PHE A 53 13.195 12.159 20.880 1.00 14.40 H new ATOM 0 HD2 PHE A 53 13.998 10.542 24.738 1.00 42.13 H new ATOM 0 HE1 PHE A 53 11.920 10.141 20.299 1.00 44.30 H new ATOM 0 HE2 PHE A 53 12.723 8.524 24.160 1.00 63.21 H new ATOM 0 HZ PHE A 53 11.682 8.319 21.938 1.00 50.43 H new ATOM 840 N ILE A 54 15.592 14.270 20.451 1.00 44.14 N ATOM 841 CA ILE A 54 15.619 15.518 19.699 1.00 41.15 C ATOM 842 C ILE A 54 14.560 15.523 18.603 1.00 34.23 C ATOM 843 O ILE A 54 14.337 14.512 17.936 1.00 12.21 O ATOM 844 CB ILE A 54 17.001 15.762 19.063 1.00 0.21 C ATOM 845 CG1 ILE A 54 18.083 15.806 20.144 1.00 11.10 C ATOM 846 CG2 ILE A 54 16.994 17.056 18.261 1.00 32.42 C ATOM 847 CD1 ILE A 54 18.653 14.446 20.483 1.00 10.03 C ATOM 0 H ILE A 54 15.376 13.445 19.892 1.00 44.14 H new ATOM 0 HA ILE A 54 15.408 16.318 20.408 1.00 41.15 H new ATOM 0 HB ILE A 54 17.223 14.938 18.385 1.00 0.21 H new ATOM 0 HG12 ILE A 54 18.891 16.457 19.812 1.00 11.10 H new ATOM 0 HG13 ILE A 54 17.665 16.252 21.047 1.00 11.10 H new ATOM 0 HG21 ILE A 54 17.977 17.215 17.818 1.00 32.42 H new ATOM 0 HG22 ILE A 54 16.246 16.990 17.471 1.00 32.42 H new ATOM 0 HG23 ILE A 54 16.754 17.891 18.919 1.00 32.42 H new ATOM 0 HD11 ILE A 54 19.414 14.553 21.256 1.00 10.03 H new ATOM 0 HD12 ILE A 54 17.856 13.797 20.846 1.00 10.03 H new ATOM 0 HD13 ILE A 54 19.101 14.007 19.592 1.00 10.03 H new ATOM 859 N VAL A 55 13.910 16.667 18.420 1.00 5.52 N ATOM 860 CA VAL A 55 12.874 16.805 17.403 1.00 34.00 C ATOM 861 C VAL A 55 13.106 18.046 16.548 1.00 13.23 C ATOM 862 O VAL A 55 13.626 19.054 17.026 1.00 12.24 O ATOM 863 CB VAL A 55 11.472 16.886 18.034 1.00 62.41 C ATOM 864 CG1 VAL A 55 10.398 16.826 16.960 1.00 30.34 C ATOM 865 CG2 VAL A 55 11.283 15.771 19.053 1.00 3.25 C ATOM 0 H VAL A 55 14.082 17.513 18.963 1.00 5.52 H new ATOM 0 HA VAL A 55 12.929 15.917 16.774 1.00 34.00 H new ATOM 0 HB VAL A 55 11.379 17.841 18.552 1.00 62.41 H new ATOM 0 HG11 VAL A 55 9.414 16.885 17.426 1.00 30.34 H new ATOM 0 HG12 VAL A 55 10.524 17.662 16.272 1.00 30.34 H new ATOM 0 HG13 VAL A 55 10.484 15.888 16.411 1.00 30.34 H new ATOM 0 HG21 VAL A 55 10.287 15.842 19.490 1.00 3.25 H new ATOM 0 HG22 VAL A 55 11.395 14.805 18.560 1.00 3.25 H new ATOM 0 HG23 VAL A 55 12.032 15.866 19.839 1.00 3.25 H new ATOM 875 N MET A 56 12.716 17.965 15.279 1.00 70.43 N ATOM 876 CA MET A 56 12.880 19.083 14.357 1.00 72.12 C ATOM 877 C MET A 56 11.834 19.031 13.248 1.00 71.20 C ATOM 878 O MET A 56 11.369 17.956 12.872 1.00 10.23 O ATOM 879 CB MET A 56 14.284 19.070 13.751 1.00 14.22 C ATOM 880 CG MET A 56 14.627 20.337 12.984 1.00 33.44 C ATOM 881 SD MET A 56 16.156 21.102 13.555 1.00 71.12 S ATOM 882 CE MET A 56 16.147 22.623 12.611 1.00 2.40 C ATOM 0 H MET A 56 12.285 17.138 14.867 1.00 70.43 H new ATOM 0 HA MET A 56 12.743 20.007 14.918 1.00 72.12 H new ATOM 0 HB2 MET A 56 15.014 18.929 14.548 1.00 14.22 H new ATOM 0 HB3 MET A 56 14.374 18.214 13.082 1.00 14.22 H new ATOM 0 HG2 MET A 56 14.717 20.102 11.923 1.00 33.44 H new ATOM 0 HG3 MET A 56 13.809 21.050 13.084 1.00 33.44 H new ATOM 0 HE1 MET A 56 17.053 22.683 12.009 1.00 2.40 H new ATOM 0 HE2 MET A 56 15.275 22.640 11.957 1.00 2.40 H new ATOM 0 HE3 MET A 56 16.107 23.473 13.292 1.00 2.40 H new ATOM 892 N ALA A 57 11.467 20.199 12.731 1.00 73.43 N ATOM 893 CA ALA A 57 10.478 20.286 11.665 1.00 13.22 C ATOM 894 C ALA A 57 11.083 19.895 10.320 1.00 64.22 C ATOM 895 O ALA A 57 12.013 20.541 9.838 1.00 75.51 O ATOM 896 CB ALA A 57 9.897 21.690 11.597 1.00 1.42 C ATOM 0 H ALA A 57 11.841 21.099 13.034 1.00 73.43 H new ATOM 0 HA ALA A 57 9.676 19.583 11.890 1.00 13.22 H new ATOM 0 HB1 ALA A 57 9.159 21.740 10.796 1.00 1.42 H new ATOM 0 HB2 ALA A 57 9.419 21.932 12.546 1.00 1.42 H new ATOM 0 HB3 ALA A 57 10.696 22.405 11.400 1.00 1.42 H new ATOM 902 N ALA A 58 10.549 18.837 9.721 1.00 20.11 N ATOM 903 CA ALA A 58 11.036 18.362 8.432 1.00 51.21 C ATOM 904 C ALA A 58 10.942 19.455 7.373 1.00 61.33 C ATOM 905 O ALA A 58 11.665 19.432 6.377 1.00 71.33 O ATOM 906 CB ALA A 58 10.257 17.131 7.993 1.00 3.33 C ATOM 0 H ALA A 58 9.778 18.292 10.108 1.00 20.11 H new ATOM 0 HA ALA A 58 12.086 18.092 8.546 1.00 51.21 H new ATOM 0 HB1 ALA A 58 10.632 16.788 7.029 1.00 3.33 H new ATOM 0 HB2 ALA A 58 10.380 16.340 8.733 1.00 3.33 H new ATOM 0 HB3 ALA A 58 9.200 17.382 7.903 1.00 3.33 H new ATOM 912 N ASP A 59 10.046 20.411 7.595 1.00 11.12 N ATOM 913 CA ASP A 59 9.858 21.514 6.660 1.00 14.41 C ATOM 914 C ASP A 59 10.488 22.796 7.197 1.00 12.24 C ATOM 915 O ASP A 59 9.968 23.891 6.984 1.00 13.33 O ATOM 916 CB ASP A 59 8.368 21.736 6.393 1.00 62.02 C ATOM 917 CG ASP A 59 8.097 22.212 4.980 1.00 51.21 C ATOM 918 OD1 ASP A 59 8.256 23.424 4.722 1.00 62.03 O ATOM 919 OD2 ASP A 59 7.725 21.375 4.132 1.00 15.51 O ATOM 0 H ASP A 59 9.439 20.444 8.414 1.00 11.12 H new ATOM 0 HA ASP A 59 10.352 21.253 5.724 1.00 14.41 H new ATOM 0 HB2 ASP A 59 7.828 20.806 6.570 1.00 62.02 H new ATOM 0 HB3 ASP A 59 7.980 22.469 7.101 1.00 62.02 H new ATOM 924 N ALA A 60 11.610 22.650 7.895 1.00 2.44 N ATOM 925 CA ALA A 60 12.310 23.796 8.461 1.00 13.52 C ATOM 926 C ALA A 60 13.705 23.937 7.861 1.00 51.10 C ATOM 927 O ALA A 60 14.311 22.953 7.441 1.00 75.14 O ATOM 928 CB ALA A 60 12.395 23.667 9.974 1.00 24.41 C ATOM 0 H ALA A 60 12.053 21.750 8.082 1.00 2.44 H new ATOM 0 HA ALA A 60 11.744 24.695 8.215 1.00 13.52 H new ATOM 0 HB1 ALA A 60 12.920 24.530 10.384 1.00 24.41 H new ATOM 0 HB2 ALA A 60 11.390 23.622 10.392 1.00 24.41 H new ATOM 0 HB3 ALA A 60 12.936 22.757 10.232 1.00 24.41 H new ATOM 934 N GLU A 61 14.206 25.168 7.824 1.00 70.53 N ATOM 935 CA GLU A 61 15.530 25.437 7.274 1.00 12.34 C ATOM 936 C GLU A 61 16.444 26.047 8.331 1.00 74.03 C ATOM 937 O GLU A 61 15.995 26.573 9.350 1.00 30.13 O ATOM 938 CB GLU A 61 15.425 26.376 6.070 1.00 5.42 C ATOM 939 CG GLU A 61 15.355 25.652 4.736 1.00 72.41 C ATOM 940 CD GLU A 61 15.201 26.601 3.564 1.00 32.33 C ATOM 941 OE1 GLU A 61 15.868 27.656 3.564 1.00 75.23 O ATOM 942 OE2 GLU A 61 14.412 26.289 2.648 1.00 1.30 O ATOM 0 H GLU A 61 13.716 25.994 8.168 1.00 70.53 H new ATOM 0 HA GLU A 61 15.961 24.490 6.950 1.00 12.34 H new ATOM 0 HB2 GLU A 61 14.538 26.999 6.182 1.00 5.42 H new ATOM 0 HB3 GLU A 61 16.286 27.045 6.066 1.00 5.42 H new ATOM 0 HG2 GLU A 61 16.259 25.058 4.601 1.00 72.41 H new ATOM 0 HG3 GLU A 61 14.516 24.957 4.748 1.00 72.41 H new ATOM 949 N PRO A 62 17.762 25.977 8.086 1.00 4.44 N ATOM 950 CA PRO A 62 18.309 25.353 6.877 1.00 43.13 C ATOM 951 C PRO A 62 18.128 23.840 6.872 1.00 21.52 C ATOM 952 O PRO A 62 18.005 23.215 7.927 1.00 75.02 O ATOM 953 CB PRO A 62 19.795 25.714 6.934 1.00 54.12 C ATOM 954 CG PRO A 62 20.078 25.927 8.381 1.00 44.21 C ATOM 955 CD PRO A 62 18.818 26.500 8.969 1.00 21.05 C ATOM 0 HA PRO A 62 17.806 25.701 5.975 1.00 43.13 H new ATOM 0 HB2 PRO A 62 20.412 24.915 6.523 1.00 54.12 H new ATOM 0 HB3 PRO A 62 20.007 26.611 6.353 1.00 54.12 H new ATOM 0 HG2 PRO A 62 20.345 24.989 8.869 1.00 44.21 H new ATOM 0 HG3 PRO A 62 20.918 26.608 8.518 1.00 44.21 H new ATOM 0 HD2 PRO A 62 18.674 26.180 10.001 1.00 21.05 H new ATOM 0 HD3 PRO A 62 18.836 27.590 8.973 1.00 21.05 H new ATOM 963 N LEU A 63 18.111 23.254 5.680 1.00 42.22 N ATOM 964 CA LEU A 63 17.945 21.812 5.538 1.00 2.25 C ATOM 965 C LEU A 63 19.293 21.101 5.592 1.00 34.02 C ATOM 966 O LEU A 63 19.381 19.950 6.019 1.00 70.13 O ATOM 967 CB LEU A 63 17.237 21.487 4.222 1.00 22.23 C ATOM 968 CG LEU A 63 15.848 20.857 4.345 1.00 52.42 C ATOM 969 CD1 LEU A 63 15.295 20.514 2.971 1.00 10.34 C ATOM 970 CD2 LEU A 63 15.901 19.618 5.225 1.00 32.31 C ATOM 0 H LEU A 63 18.210 23.756 4.797 1.00 42.22 H new ATOM 0 HA LEU A 63 17.334 21.458 6.369 1.00 2.25 H new ATOM 0 HB2 LEU A 63 17.147 22.407 3.644 1.00 22.23 H new ATOM 0 HB3 LEU A 63 17.871 20.811 3.649 1.00 22.23 H new ATOM 0 HG LEU A 63 15.181 21.581 4.812 1.00 52.42 H new ATOM 0 HD11 LEU A 63 14.307 20.067 3.078 1.00 10.34 H new ATOM 0 HD12 LEU A 63 15.220 21.422 2.372 1.00 10.34 H new ATOM 0 HD13 LEU A 63 15.961 19.807 2.477 1.00 10.34 H new ATOM 0 HD21 LEU A 63 14.904 19.183 5.301 1.00 32.31 H new ATOM 0 HD22 LEU A 63 16.582 18.889 4.786 1.00 32.31 H new ATOM 0 HD23 LEU A 63 16.254 19.893 6.219 1.00 32.31 H new ATOM 982 N GLU A 64 20.340 21.794 5.158 1.00 41.24 N ATOM 983 CA GLU A 64 21.685 21.229 5.158 1.00 3.13 C ATOM 984 C GLU A 64 22.104 20.825 6.568 1.00 62.52 C ATOM 985 O GLU A 64 22.733 19.786 6.767 1.00 33.52 O ATOM 986 CB GLU A 64 22.685 22.235 4.585 1.00 32.45 C ATOM 987 CG GLU A 64 23.068 21.955 3.141 1.00 51.32 C ATOM 988 CD GLU A 64 24.355 22.649 2.735 1.00 3.33 C ATOM 989 OE1 GLU A 64 25.419 22.295 3.281 1.00 3.03 O ATOM 990 OE2 GLU A 64 24.294 23.548 1.868 1.00 71.41 O ATOM 0 H GLU A 64 20.284 22.748 4.802 1.00 41.24 H new ATOM 0 HA GLU A 64 21.678 20.338 4.530 1.00 3.13 H new ATOM 0 HB2 GLU A 64 22.260 23.236 4.652 1.00 32.45 H new ATOM 0 HB3 GLU A 64 23.586 22.230 5.199 1.00 32.45 H new ATOM 0 HG2 GLU A 64 23.179 20.880 3.000 1.00 51.32 H new ATOM 0 HG3 GLU A 64 22.261 22.281 2.485 1.00 51.32 H new ATOM 997 N ILE A 65 21.753 21.656 7.545 1.00 11.14 N ATOM 998 CA ILE A 65 22.093 21.385 8.936 1.00 62.24 C ATOM 999 C ILE A 65 21.306 20.196 9.473 1.00 23.35 C ATOM 1000 O ILE A 65 21.777 19.472 10.351 1.00 30.22 O ATOM 1001 CB ILE A 65 21.823 22.611 9.830 1.00 55.30 C ATOM 1002 CG1 ILE A 65 22.709 23.784 9.406 1.00 62.52 C ATOM 1003 CG2 ILE A 65 22.059 22.262 11.292 1.00 25.22 C ATOM 1004 CD1 ILE A 65 22.508 25.027 10.245 1.00 10.32 C ATOM 0 H ILE A 65 21.234 22.522 7.398 1.00 11.14 H new ATOM 0 HA ILE A 65 23.158 21.154 8.961 1.00 62.24 H new ATOM 0 HB ILE A 65 20.781 22.907 9.711 1.00 55.30 H new ATOM 0 HG12 ILE A 65 23.754 23.480 9.466 1.00 62.52 H new ATOM 0 HG13 ILE A 65 22.506 24.023 8.362 1.00 62.52 H new ATOM 0 HG21 ILE A 65 21.864 23.138 11.911 1.00 25.22 H new ATOM 0 HG22 ILE A 65 21.389 21.454 11.586 1.00 25.22 H new ATOM 0 HG23 ILE A 65 23.093 21.944 11.428 1.00 25.22 H new ATOM 0 HD11 ILE A 65 23.168 25.818 9.888 1.00 10.32 H new ATOM 0 HD12 ILE A 65 21.472 25.356 10.166 1.00 10.32 H new ATOM 0 HD13 ILE A 65 22.739 24.804 11.287 1.00 10.32 H new ATOM 1016 N ILE A 66 20.105 19.998 8.939 1.00 2.10 N ATOM 1017 CA ILE A 66 19.253 18.893 9.363 1.00 44.24 C ATOM 1018 C ILE A 66 19.945 17.552 9.148 1.00 54.14 C ATOM 1019 O ILE A 66 19.615 16.559 9.798 1.00 2.41 O ATOM 1020 CB ILE A 66 17.912 18.894 8.605 1.00 61.33 C ATOM 1021 CG1 ILE A 66 17.163 20.204 8.851 1.00 44.13 C ATOM 1022 CG2 ILE A 66 17.064 17.704 9.029 1.00 71.24 C ATOM 1023 CD1 ILE A 66 16.715 20.384 10.285 1.00 62.00 C ATOM 0 H ILE A 66 19.700 20.588 8.212 1.00 2.10 H new ATOM 0 HA ILE A 66 19.060 19.033 10.427 1.00 44.24 H new ATOM 0 HB ILE A 66 18.114 18.809 7.537 1.00 61.33 H new ATOM 0 HG12 ILE A 66 17.806 21.039 8.572 1.00 44.13 H new ATOM 0 HG13 ILE A 66 16.291 20.242 8.199 1.00 44.13 H new ATOM 0 HG21 ILE A 66 16.120 17.718 8.485 1.00 71.24 H new ATOM 0 HG22 ILE A 66 17.597 16.780 8.807 1.00 71.24 H new ATOM 0 HG23 ILE A 66 16.867 17.761 10.100 1.00 71.24 H new ATOM 0 HD11 ILE A 66 16.191 21.334 10.386 1.00 62.00 H new ATOM 0 HD12 ILE A 66 16.046 19.569 10.562 1.00 62.00 H new ATOM 0 HD13 ILE A 66 17.585 20.378 10.941 1.00 62.00 H new ATOM 1035 N LEU A 67 20.909 17.530 8.234 1.00 13.45 N ATOM 1036 CA LEU A 67 21.651 16.310 7.933 1.00 24.04 C ATOM 1037 C LEU A 67 22.691 16.025 9.012 1.00 43.44 C ATOM 1038 O LEU A 67 23.113 14.884 9.197 1.00 30.43 O ATOM 1039 CB LEU A 67 22.332 16.427 6.569 1.00 74.45 C ATOM 1040 CG LEU A 67 23.046 15.172 6.065 1.00 33.53 C ATOM 1041 CD1 LEU A 67 22.037 14.094 5.701 1.00 53.20 C ATOM 1042 CD2 LEU A 67 23.930 15.503 4.872 1.00 75.31 C ATOM 0 H LEU A 67 21.195 18.343 7.688 1.00 13.45 H new ATOM 0 HA LEU A 67 20.944 15.481 7.908 1.00 24.04 H new ATOM 0 HB2 LEU A 67 21.580 16.713 5.833 1.00 74.45 H new ATOM 0 HB3 LEU A 67 23.057 17.239 6.616 1.00 74.45 H new ATOM 0 HG LEU A 67 23.680 14.792 6.866 1.00 33.53 H new ATOM 0 HD11 LEU A 67 22.563 13.209 5.344 1.00 53.20 H new ATOM 0 HD12 LEU A 67 21.447 13.836 6.580 1.00 53.20 H new ATOM 0 HD13 LEU A 67 21.376 14.464 4.917 1.00 53.20 H new ATOM 0 HD21 LEU A 67 24.430 14.598 4.527 1.00 75.31 H new ATOM 0 HD22 LEU A 67 23.317 15.908 4.067 1.00 75.31 H new ATOM 0 HD23 LEU A 67 24.677 16.240 5.166 1.00 75.31 H new ATOM 1054 N HIS A 68 23.099 17.071 9.723 1.00 44.33 N ATOM 1055 CA HIS A 68 24.088 16.934 10.787 1.00 72.04 C ATOM 1056 C HIS A 68 23.452 16.361 12.049 1.00 62.35 C ATOM 1057 O HIS A 68 24.131 15.751 12.876 1.00 34.40 O ATOM 1058 CB HIS A 68 24.729 18.288 11.094 1.00 15.40 C ATOM 1059 CG HIS A 68 26.222 18.287 10.964 1.00 43.11 C ATOM 1060 ND1 HIS A 68 26.909 19.194 10.185 1.00 74.30 N ATOM 1061 CD2 HIS A 68 27.158 17.485 11.521 1.00 62.33 C ATOM 1062 CE1 HIS A 68 28.205 18.948 10.268 1.00 22.54 C ATOM 1063 NE2 HIS A 68 28.383 17.915 11.073 1.00 2.41 N ATOM 0 H HIS A 68 22.760 18.023 9.582 1.00 44.33 H new ATOM 0 HA HIS A 68 24.860 16.244 10.445 1.00 72.04 H new ATOM 0 HB2 HIS A 68 24.314 19.038 10.421 1.00 15.40 H new ATOM 0 HB3 HIS A 68 24.461 18.586 12.108 1.00 15.40 H new ATOM 0 HD2 HIS A 68 26.976 16.660 12.193 1.00 62.33 H new ATOM 0 HE1 HIS A 68 28.986 19.498 9.764 1.00 22.54 H new ATOM 0 HE2 HIS A 68 29.283 17.504 11.321 1.00 2.41 H new ATOM 1071 N LEU A 69 22.148 16.562 12.192 1.00 3.13 N ATOM 1072 CA LEU A 69 21.420 16.065 13.355 1.00 44.50 C ATOM 1073 C LEU A 69 21.633 14.565 13.531 1.00 73.31 C ATOM 1074 O LEU A 69 22.127 14.100 14.559 1.00 1.31 O ATOM 1075 CB LEU A 69 19.926 16.366 13.213 1.00 63.11 C ATOM 1076 CG LEU A 69 19.418 17.604 13.952 1.00 62.21 C ATOM 1077 CD1 LEU A 69 18.836 18.610 12.972 1.00 52.12 C ATOM 1078 CD2 LEU A 69 18.382 17.214 14.997 1.00 12.31 C ATOM 0 H LEU A 69 21.572 17.066 11.518 1.00 3.13 H new ATOM 0 HA LEU A 69 21.805 16.574 14.238 1.00 44.50 H new ATOM 0 HB2 LEU A 69 19.698 16.481 12.153 1.00 63.11 H new ATOM 0 HB3 LEU A 69 19.366 15.501 13.567 1.00 63.11 H new ATOM 0 HG LEU A 69 20.261 18.070 14.461 1.00 62.21 H new ATOM 0 HD11 LEU A 69 18.480 19.484 13.517 1.00 52.12 H new ATOM 0 HD12 LEU A 69 19.605 18.913 12.262 1.00 52.12 H new ATOM 0 HD13 LEU A 69 18.005 18.154 12.434 1.00 52.12 H new ATOM 0 HD21 LEU A 69 18.032 18.108 15.513 1.00 12.31 H new ATOM 0 HD22 LEU A 69 17.540 16.723 14.509 1.00 12.31 H new ATOM 0 HD23 LEU A 69 18.832 16.531 15.718 1.00 12.31 H new ATOM 1090 N PRO A 70 21.255 13.789 12.505 1.00 23.41 N ATOM 1091 CA PRO A 70 21.398 12.329 12.522 1.00 44.30 C ATOM 1092 C PRO A 70 22.855 11.890 12.445 1.00 75.42 C ATOM 1093 O PRO A 70 23.702 12.601 11.903 1.00 30.04 O ATOM 1094 CB PRO A 70 20.638 11.885 11.269 1.00 73.51 C ATOM 1095 CG PRO A 70 20.684 13.063 10.360 1.00 2.22 C ATOM 1096 CD PRO A 70 20.658 14.275 11.249 1.00 72.31 C ATOM 0 HA PRO A 70 21.018 11.892 13.445 1.00 44.30 H new ATOM 0 HB2 PRO A 70 21.105 11.013 10.811 1.00 73.51 H new ATOM 0 HB3 PRO A 70 19.611 11.608 11.506 1.00 73.51 H new ATOM 0 HG2 PRO A 70 21.585 13.048 9.747 1.00 2.22 H new ATOM 0 HG3 PRO A 70 19.834 13.062 9.677 1.00 2.22 H new ATOM 0 HD2 PRO A 70 21.232 15.098 10.823 1.00 72.31 H new ATOM 0 HD3 PRO A 70 19.642 14.640 11.402 1.00 72.31 H new ATOM 1232 N PRO A 79 18.420 7.143 15.479 1.00 4.25 N ATOM 1233 CA PRO A 79 17.613 7.455 16.662 1.00 0.33 C ATOM 1234 C PRO A 79 17.222 8.928 16.725 1.00 35.55 C ATOM 1235 O PRO A 79 17.809 9.704 17.478 1.00 53.14 O ATOM 1236 CB PRO A 79 18.539 7.098 17.827 1.00 32.34 C ATOM 1237 CG PRO A 79 19.915 7.228 17.271 1.00 33.11 C ATOM 1238 CD PRO A 79 19.816 6.829 15.824 1.00 63.44 C ATOM 0 HA PRO A 79 16.669 6.910 16.667 1.00 0.33 H new ATOM 0 HB2 PRO A 79 18.389 7.769 18.672 1.00 32.34 H new ATOM 0 HB3 PRO A 79 18.351 6.086 18.186 1.00 32.34 H new ATOM 0 HG2 PRO A 79 20.281 8.250 17.370 1.00 33.11 H new ATOM 0 HG3 PRO A 79 20.614 6.586 17.806 1.00 33.11 H new ATOM 0 HD2 PRO A 79 20.518 7.387 15.204 1.00 63.44 H new ATOM 0 HD3 PRO A 79 20.037 5.771 15.683 1.00 63.44 H new ATOM 1246 N TYR A 80 16.225 9.304 15.932 1.00 44.24 N ATOM 1247 CA TYR A 80 15.757 10.685 15.897 1.00 31.14 C ATOM 1248 C TYR A 80 14.269 10.747 15.567 1.00 64.41 C ATOM 1249 O TYR A 80 13.621 9.718 15.372 1.00 3.20 O ATOM 1250 CB TYR A 80 16.552 11.489 14.867 1.00 65.03 C ATOM 1251 CG TYR A 80 17.735 12.225 15.456 1.00 42.31 C ATOM 1252 CD1 TYR A 80 18.963 11.594 15.614 1.00 13.21 C ATOM 1253 CD2 TYR A 80 17.625 13.552 15.854 1.00 20.54 C ATOM 1254 CE1 TYR A 80 20.045 12.261 16.151 1.00 62.13 C ATOM 1255 CE2 TYR A 80 18.703 14.228 16.392 1.00 63.01 C ATOM 1256 CZ TYR A 80 19.911 13.579 16.539 1.00 3.03 C ATOM 1257 OH TYR A 80 20.987 14.248 17.074 1.00 52.05 O ATOM 0 H TYR A 80 15.726 8.673 15.305 1.00 44.24 H new ATOM 0 HA TYR A 80 15.911 11.119 16.885 1.00 31.14 H new ATOM 0 HB2 TYR A 80 16.906 10.815 14.087 1.00 65.03 H new ATOM 0 HB3 TYR A 80 15.888 12.209 14.389 1.00 65.03 H new ATOM 0 HD1 TYR A 80 19.072 10.563 15.311 1.00 13.21 H new ATOM 0 HD2 TYR A 80 16.681 14.064 15.741 1.00 20.54 H new ATOM 0 HE1 TYR A 80 20.992 11.755 16.267 1.00 62.13 H new ATOM 0 HE2 TYR A 80 18.600 15.259 16.696 1.00 63.01 H new ATOM 0 HH TYR A 80 21.666 14.382 16.381 1.00 52.05 H new ATOM 1267 N VAL A 81 13.733 11.962 15.507 1.00 12.22 N ATOM 1268 CA VAL A 81 12.321 12.161 15.199 1.00 74.45 C ATOM 1269 C VAL A 81 12.080 13.534 14.585 1.00 54.52 C ATOM 1270 O VAL A 81 12.717 14.517 14.966 1.00 43.52 O ATOM 1271 CB VAL A 81 11.447 12.013 16.458 1.00 44.11 C ATOM 1272 CG1 VAL A 81 11.918 12.961 17.550 1.00 2.21 C ATOM 1273 CG2 VAL A 81 9.983 12.258 16.122 1.00 42.42 C ATOM 0 H VAL A 81 14.255 12.823 15.668 1.00 12.22 H new ATOM 0 HA VAL A 81 12.042 11.391 14.479 1.00 74.45 H new ATOM 0 HB VAL A 81 11.545 10.993 16.829 1.00 44.11 H new ATOM 0 HG11 VAL A 81 11.288 12.842 18.432 1.00 2.21 H new ATOM 0 HG12 VAL A 81 12.952 12.733 17.809 1.00 2.21 H new ATOM 0 HG13 VAL A 81 11.852 13.989 17.193 1.00 2.21 H new ATOM 0 HG21 VAL A 81 9.380 12.149 17.023 1.00 42.42 H new ATOM 0 HG22 VAL A 81 9.865 13.266 15.725 1.00 42.42 H new ATOM 0 HG23 VAL A 81 9.655 11.534 15.376 1.00 42.42 H new ATOM 1283 N PHE A 82 11.157 13.597 13.631 1.00 55.13 N ATOM 1284 CA PHE A 82 10.832 14.851 12.963 1.00 11.22 C ATOM 1285 C PHE A 82 9.369 15.222 13.183 1.00 1.24 C ATOM 1286 O PHE A 82 8.563 14.391 13.604 1.00 12.31 O ATOM 1287 CB PHE A 82 11.123 14.746 11.464 1.00 15.24 C ATOM 1288 CG PHE A 82 12.568 14.965 11.117 1.00 11.41 C ATOM 1289 CD1 PHE A 82 13.498 13.953 11.293 1.00 23.11 C ATOM 1290 CD2 PHE A 82 12.995 16.183 10.613 1.00 73.20 C ATOM 1291 CE1 PHE A 82 14.828 14.153 10.976 1.00 2.34 C ATOM 1292 CE2 PHE A 82 14.324 16.388 10.293 1.00 14.33 C ATOM 1293 CZ PHE A 82 15.241 15.371 10.474 1.00 52.44 C ATOM 0 H PHE A 82 10.621 12.794 13.303 1.00 55.13 H new ATOM 0 HA PHE A 82 11.456 15.634 13.393 1.00 11.22 H new ATOM 0 HB2 PHE A 82 10.818 13.761 11.111 1.00 15.24 H new ATOM 0 HB3 PHE A 82 10.515 15.478 10.932 1.00 15.24 H new ATOM 0 HD1 PHE A 82 13.180 12.997 11.682 1.00 23.11 H new ATOM 0 HD2 PHE A 82 12.282 16.981 10.469 1.00 73.20 H new ATOM 0 HE1 PHE A 82 15.544 13.357 11.121 1.00 2.34 H new ATOM 0 HE2 PHE A 82 14.645 17.342 9.902 1.00 14.33 H new ATOM 0 HZ PHE A 82 16.280 15.528 10.223 1.00 52.44 H new ATOM 1303 N VAL A 83 9.032 16.476 12.896 1.00 14.03 N ATOM 1304 CA VAL A 83 7.665 16.957 13.062 1.00 42.14 C ATOM 1305 C VAL A 83 7.236 17.810 11.874 1.00 2.45 C ATOM 1306 O VAL A 83 8.060 18.204 11.049 1.00 23.43 O ATOM 1307 CB VAL A 83 7.514 17.782 14.354 1.00 62.13 C ATOM 1308 CG1 VAL A 83 7.520 16.872 15.573 1.00 45.22 C ATOM 1309 CG2 VAL A 83 8.618 18.824 14.451 1.00 63.23 C ATOM 0 H VAL A 83 9.686 17.177 12.548 1.00 14.03 H new ATOM 0 HA VAL A 83 7.024 16.077 13.125 1.00 42.14 H new ATOM 0 HB VAL A 83 6.556 18.301 14.324 1.00 62.13 H new ATOM 0 HG11 VAL A 83 7.412 17.473 16.476 1.00 45.22 H new ATOM 0 HG12 VAL A 83 6.691 16.167 15.505 1.00 45.22 H new ATOM 0 HG13 VAL A 83 8.461 16.323 15.613 1.00 45.22 H new ATOM 0 HG21 VAL A 83 8.497 19.398 15.369 1.00 63.23 H new ATOM 0 HG22 VAL A 83 9.588 18.327 14.459 1.00 63.23 H new ATOM 0 HG23 VAL A 83 8.562 19.495 13.594 1.00 63.23 H new ATOM 1319 N ARG A 84 5.939 18.091 11.793 1.00 44.43 N ATOM 1320 CA ARG A 84 5.398 18.896 10.705 1.00 44.35 C ATOM 1321 C ARG A 84 4.706 20.145 11.245 1.00 35.11 C ATOM 1322 O ARG A 84 3.806 20.693 10.608 1.00 14.05 O ATOM 1323 CB ARG A 84 4.413 18.074 9.873 1.00 52.45 C ATOM 1324 CG ARG A 84 4.354 18.490 8.412 1.00 4.22 C ATOM 1325 CD ARG A 84 3.367 17.638 7.630 1.00 3.04 C ATOM 1326 NE ARG A 84 3.632 17.673 6.194 1.00 34.15 N ATOM 1327 CZ ARG A 84 2.795 17.192 5.281 1.00 34.41 C ATOM 1328 NH1 ARG A 84 1.646 16.643 5.652 1.00 51.23 N ATOM 1329 NH2 ARG A 84 3.107 17.260 3.993 1.00 30.52 N ATOM 0 H ARG A 84 5.244 17.773 12.468 1.00 44.43 H new ATOM 0 HA ARG A 84 6.228 19.206 10.070 1.00 44.35 H new ATOM 0 HB2 ARG A 84 4.691 17.022 9.931 1.00 52.45 H new ATOM 0 HB3 ARG A 84 3.418 18.165 10.308 1.00 52.45 H new ATOM 0 HG2 ARG A 84 4.066 19.539 8.343 1.00 4.22 H new ATOM 0 HG3 ARG A 84 5.345 18.402 7.967 1.00 4.22 H new ATOM 0 HD2 ARG A 84 3.418 16.608 7.983 1.00 3.04 H new ATOM 0 HD3 ARG A 84 2.353 17.991 7.820 1.00 3.04 H new ATOM 0 HE ARG A 84 4.507 18.089 5.875 1.00 34.15 H new ATOM 0 HH11 ARG A 84 1.402 16.589 6.641 1.00 51.23 H new ATOM 0 HH12 ARG A 84 1.006 16.275 4.948 1.00 51.23 H new ATOM 0 HH21 ARG A 84 3.990 17.682 3.704 1.00 30.52 H new ATOM 0 HH22 ARG A 84 2.464 16.891 3.292 1.00 30.52 H new ATOM 1343 N SER A 85 5.132 20.589 12.423 1.00 21.14 N ATOM 1344 CA SER A 85 4.550 21.770 13.050 1.00 73.34 C ATOM 1345 C SER A 85 5.587 22.502 13.897 1.00 71.31 C ATOM 1346 O SER A 85 6.516 21.892 14.427 1.00 72.12 O ATOM 1347 CB SER A 85 3.353 21.375 13.918 1.00 54.24 C ATOM 1348 OG SER A 85 2.400 22.421 13.979 1.00 50.14 O ATOM 0 H SER A 85 5.878 20.149 12.962 1.00 21.14 H new ATOM 0 HA SER A 85 4.212 22.441 12.260 1.00 73.34 H new ATOM 0 HB2 SER A 85 2.887 20.477 13.513 1.00 54.24 H new ATOM 0 HB3 SER A 85 3.694 21.131 14.924 1.00 54.24 H new ATOM 0 HG SER A 85 1.645 22.143 14.538 1.00 50.14 H new ATOM 1354 N LYS A 86 5.421 23.814 14.021 1.00 32.02 N ATOM 1355 CA LYS A 86 6.341 24.631 14.804 1.00 5.42 C ATOM 1356 C LYS A 86 5.628 25.260 15.998 1.00 12.42 C ATOM 1357 O LYS A 86 6.253 25.571 17.011 1.00 75.11 O ATOM 1358 CB LYS A 86 6.954 25.726 13.928 1.00 55.11 C ATOM 1359 CG LYS A 86 5.924 26.635 13.279 1.00 71.12 C ATOM 1360 CD LYS A 86 6.059 28.067 13.767 1.00 2.05 C ATOM 1361 CE LYS A 86 4.770 28.849 13.561 1.00 12.43 C ATOM 1362 NZ LYS A 86 4.967 30.016 12.657 1.00 70.33 N ATOM 0 H LYS A 86 4.658 24.335 13.589 1.00 32.02 H new ATOM 0 HA LYS A 86 7.136 23.985 15.177 1.00 5.42 H new ATOM 0 HB2 LYS A 86 7.628 26.330 14.535 1.00 55.11 H new ATOM 0 HB3 LYS A 86 7.558 25.261 13.149 1.00 55.11 H new ATOM 0 HG2 LYS A 86 6.043 26.606 12.196 1.00 71.12 H new ATOM 0 HG3 LYS A 86 4.922 26.267 13.500 1.00 71.12 H new ATOM 0 HD2 LYS A 86 6.322 28.069 14.825 1.00 2.05 H new ATOM 0 HD3 LYS A 86 6.873 28.559 13.235 1.00 2.05 H new ATOM 0 HE2 LYS A 86 4.009 28.190 13.143 1.00 12.43 H new ATOM 0 HE3 LYS A 86 4.397 29.195 14.525 1.00 12.43 H new ATOM 0 HZ1 LYS A 86 4.066 30.522 12.542 1.00 70.33 H new ATOM 0 HZ2 LYS A 86 5.675 30.658 13.068 1.00 70.33 H new ATOM 0 HZ3 LYS A 86 5.298 29.684 11.729 1.00 70.33 H new ATOM 1376 N GLN A 87 4.318 25.444 15.869 1.00 25.42 N ATOM 1377 CA GLN A 87 3.522 26.035 16.938 1.00 30.55 C ATOM 1378 C GLN A 87 3.531 25.147 18.178 1.00 21.41 C ATOM 1379 O GLN A 87 3.888 25.591 19.269 1.00 71.11 O ATOM 1380 CB GLN A 87 2.084 26.259 16.467 1.00 22.03 C ATOM 1381 CG GLN A 87 1.570 27.665 16.730 1.00 52.13 C ATOM 1382 CD GLN A 87 0.459 27.697 17.761 1.00 50.41 C ATOM 1383 OE1 GLN A 87 0.600 28.302 18.824 1.00 60.23 O ATOM 1384 NE2 GLN A 87 -0.655 27.047 17.451 1.00 30.15 N ATOM 0 H GLN A 87 3.786 25.193 15.036 1.00 25.42 H new ATOM 0 HA GLN A 87 3.966 26.996 17.199 1.00 30.55 H new ATOM 0 HB2 GLN A 87 2.024 26.053 15.398 1.00 22.03 H new ATOM 0 HB3 GLN A 87 1.431 25.543 16.966 1.00 22.03 H new ATOM 0 HG2 GLN A 87 2.395 28.291 17.070 1.00 52.13 H new ATOM 0 HG3 GLN A 87 1.207 28.095 15.797 1.00 52.13 H new ATOM 0 HE21 GLN A 87 -0.729 26.559 16.559 1.00 30.15 H new ATOM 0 HE22 GLN A 87 -1.438 27.036 18.105 1.00 30.15 H new ATOM 1393 N ALA A 88 3.135 23.890 18.003 1.00 10.41 N ATOM 1394 CA ALA A 88 3.099 22.939 19.107 1.00 52.32 C ATOM 1395 C ALA A 88 4.460 22.837 19.789 1.00 42.35 C ATOM 1396 O ALA A 88 4.554 22.865 21.016 1.00 33.44 O ATOM 1397 CB ALA A 88 2.652 21.573 18.612 1.00 32.44 C ATOM 0 H ALA A 88 2.835 23.507 17.107 1.00 10.41 H new ATOM 0 HA ALA A 88 2.380 23.301 19.842 1.00 52.32 H new ATOM 0 HB1 ALA A 88 2.630 20.873 19.447 1.00 32.44 H new ATOM 0 HB2 ALA A 88 1.655 21.652 18.178 1.00 32.44 H new ATOM 0 HB3 ALA A 88 3.350 21.214 17.856 1.00 32.44 H new ATOM 1403 N LEU A 89 5.511 22.720 18.985 1.00 11.11 N ATOM 1404 CA LEU A 89 6.868 22.614 19.511 1.00 35.11 C ATOM 1405 C LEU A 89 7.306 23.925 20.155 1.00 70.44 C ATOM 1406 O LEU A 89 8.131 23.935 21.068 1.00 4.02 O ATOM 1407 CB LEU A 89 7.840 22.231 18.395 1.00 14.25 C ATOM 1408 CG LEU A 89 9.171 21.625 18.841 1.00 24.43 C ATOM 1409 CD1 LEU A 89 9.629 20.558 17.858 1.00 23.20 C ATOM 1410 CD2 LEU A 89 10.229 22.709 18.986 1.00 22.01 C ATOM 0 H LEU A 89 5.450 22.696 17.967 1.00 11.11 H new ATOM 0 HA LEU A 89 6.876 21.836 20.274 1.00 35.11 H new ATOM 0 HB2 LEU A 89 7.343 21.519 17.736 1.00 14.25 H new ATOM 0 HB3 LEU A 89 8.050 23.121 17.802 1.00 14.25 H new ATOM 0 HG LEU A 89 9.026 21.155 19.814 1.00 24.43 H new ATOM 0 HD11 LEU A 89 10.578 20.138 18.192 1.00 23.20 H new ATOM 0 HD12 LEU A 89 8.881 19.767 17.805 1.00 23.20 H new ATOM 0 HD13 LEU A 89 9.757 21.003 16.871 1.00 23.20 H new ATOM 0 HD21 LEU A 89 11.170 22.259 19.304 1.00 22.01 H new ATOM 0 HD22 LEU A 89 10.371 23.209 18.028 1.00 22.01 H new ATOM 0 HD23 LEU A 89 9.905 23.437 19.730 1.00 22.01 H new ATOM 1422 N GLY A 90 6.748 25.032 19.674 1.00 12.54 N ATOM 1423 CA GLY A 90 7.092 26.333 20.215 1.00 2.00 C ATOM 1424 C GLY A 90 6.378 26.624 21.521 1.00 50.44 C ATOM 1425 O GLY A 90 6.872 27.393 22.347 1.00 2.43 O ATOM 0 H GLY A 90 6.063 25.050 18.918 1.00 12.54 H new ATOM 0 HA2 GLY A 90 8.169 26.384 20.374 1.00 2.00 H new ATOM 0 HA3 GLY A 90 6.840 27.104 19.487 1.00 2.00 H new ATOM 1429 N ARG A 91 5.214 26.012 21.707 1.00 52.14 N ATOM 1430 CA ARG A 91 4.430 26.212 22.919 1.00 45.02 C ATOM 1431 C ARG A 91 4.788 25.172 23.977 1.00 52.24 C ATOM 1432 O ARG A 91 4.900 25.489 25.161 1.00 4.14 O ATOM 1433 CB ARG A 91 2.935 26.140 22.604 1.00 54.42 C ATOM 1434 CG ARG A 91 2.065 25.906 23.828 1.00 3.33 C ATOM 1435 CD ARG A 91 0.775 26.707 23.755 1.00 44.21 C ATOM 1436 NE ARG A 91 0.693 27.710 24.814 1.00 43.14 N ATOM 1437 CZ ARG A 91 0.364 27.427 26.069 1.00 62.02 C ATOM 1438 NH1 ARG A 91 0.087 26.179 26.421 1.00 65.32 N ATOM 1439 NH2 ARG A 91 0.311 28.395 26.977 1.00 2.44 N ATOM 0 H ARG A 91 4.793 25.373 21.033 1.00 52.14 H new ATOM 0 HA ARG A 91 4.664 27.201 23.312 1.00 45.02 H new ATOM 0 HB2 ARG A 91 2.629 27.069 22.123 1.00 54.42 H new ATOM 0 HB3 ARG A 91 2.762 25.338 21.887 1.00 54.42 H new ATOM 0 HG2 ARG A 91 1.831 24.845 23.912 1.00 3.33 H new ATOM 0 HG3 ARG A 91 2.617 26.183 24.726 1.00 3.33 H new ATOM 0 HD2 ARG A 91 0.708 27.198 22.784 1.00 44.21 H new ATOM 0 HD3 ARG A 91 -0.076 26.031 23.830 1.00 44.21 H new ATOM 0 HE ARG A 91 0.900 28.680 24.577 1.00 43.14 H new ATOM 0 HH11 ARG A 91 0.126 25.433 25.727 1.00 65.32 H new ATOM 0 HH12 ARG A 91 -0.165 25.965 27.386 1.00 65.32 H new ATOM 0 HH21 ARG A 91 0.523 29.356 26.710 1.00 2.44 H new ATOM 0 HH22 ARG A 91 0.058 28.177 27.941 1.00 2.44 H new ATOM 1453 N ALA A 92 4.968 23.930 23.541 1.00 52.52 N ATOM 1454 CA ALA A 92 5.314 22.844 24.448 1.00 73.43 C ATOM 1455 C ALA A 92 6.542 23.196 25.282 1.00 72.34 C ATOM 1456 O ALA A 92 6.691 22.729 26.412 1.00 42.21 O ATOM 1457 CB ALA A 92 5.555 21.560 23.668 1.00 74.22 C ATOM 0 H ALA A 92 4.880 23.651 22.564 1.00 52.52 H new ATOM 0 HA ALA A 92 4.476 22.691 25.128 1.00 73.43 H new ATOM 0 HB1 ALA A 92 5.813 20.757 24.359 1.00 74.22 H new ATOM 0 HB2 ALA A 92 4.651 21.292 23.121 1.00 74.22 H new ATOM 0 HB3 ALA A 92 6.374 21.710 22.965 1.00 74.22 H new ATOM 1463 N CYS A 93 7.418 24.019 24.718 1.00 11.20 N ATOM 1464 CA CYS A 93 8.635 24.433 25.409 1.00 3.32 C ATOM 1465 C CYS A 93 8.336 25.529 26.426 1.00 0.03 C ATOM 1466 O CYS A 93 8.984 25.617 27.468 1.00 2.01 O ATOM 1467 CB CYS A 93 9.676 24.924 24.403 1.00 41.22 C ATOM 1468 SG CYS A 93 10.880 23.667 23.914 1.00 10.20 S ATOM 0 H CYS A 93 7.309 24.413 23.784 1.00 11.20 H new ATOM 0 HA CYS A 93 9.034 23.569 25.940 1.00 3.32 H new ATOM 0 HB2 CYS A 93 9.162 25.286 23.512 1.00 41.22 H new ATOM 0 HB3 CYS A 93 10.208 25.774 24.832 1.00 41.22 H new ATOM 0 HG CYS A 93 11.434 24.011 22.789 1.00 10.20 H new ATOM 1474 N GLY A 94 7.350 26.365 26.115 1.00 22.01 N ATOM 1475 CA GLY A 94 6.983 27.446 27.011 1.00 43.22 C ATOM 1476 C GLY A 94 7.883 28.657 26.858 1.00 2.44 C ATOM 1477 O GLY A 94 8.545 29.072 27.809 1.00 51.01 O ATOM 0 H GLY A 94 6.799 26.313 25.258 1.00 22.01 H new ATOM 0 HA2 GLY A 94 5.950 27.738 26.819 1.00 43.22 H new ATOM 0 HA3 GLY A 94 7.028 27.091 28.041 1.00 43.22 H new ATOM 1481 N VAL A 95 7.910 29.224 25.656 1.00 4.42 N ATOM 1482 CA VAL A 95 8.736 30.394 25.381 1.00 12.34 C ATOM 1483 C VAL A 95 7.956 31.446 24.599 1.00 33.44 C ATOM 1484 O VAL A 95 6.855 31.183 24.114 1.00 62.35 O ATOM 1485 CB VAL A 95 10.000 30.013 24.588 1.00 43.34 C ATOM 1486 CG1 VAL A 95 10.998 29.297 25.486 1.00 41.24 C ATOM 1487 CG2 VAL A 95 9.637 29.152 23.388 1.00 53.32 C ATOM 0 H VAL A 95 7.369 28.892 24.857 1.00 4.42 H new ATOM 0 HA VAL A 95 9.031 30.808 26.345 1.00 12.34 H new ATOM 0 HB VAL A 95 10.467 30.927 24.222 1.00 43.34 H new ATOM 0 HG11 VAL A 95 11.885 29.035 24.909 1.00 41.24 H new ATOM 0 HG12 VAL A 95 11.282 29.952 26.310 1.00 41.24 H new ATOM 0 HG13 VAL A 95 10.544 28.390 25.884 1.00 41.24 H new ATOM 0 HG21 VAL A 95 10.542 28.892 22.839 1.00 53.32 H new ATOM 0 HG22 VAL A 95 9.146 28.241 23.729 1.00 53.32 H new ATOM 0 HG23 VAL A 95 8.963 29.705 22.734 1.00 53.32 H new ATOM 1497 N SER A 96 8.534 32.636 24.480 1.00 73.51 N ATOM 1498 CA SER A 96 7.893 33.729 23.759 1.00 63.01 C ATOM 1499 C SER A 96 8.009 33.528 22.252 1.00 11.32 C ATOM 1500 O SER A 96 7.042 33.714 21.513 1.00 42.11 O ATOM 1501 CB SER A 96 8.520 35.067 24.157 1.00 15.44 C ATOM 1502 OG SER A 96 7.704 35.756 25.088 1.00 1.30 O ATOM 0 H SER A 96 9.446 32.868 24.874 1.00 73.51 H new ATOM 0 HA SER A 96 6.836 33.737 24.026 1.00 63.01 H new ATOM 0 HB2 SER A 96 9.506 34.896 24.590 1.00 15.44 H new ATOM 0 HB3 SER A 96 8.664 35.683 23.269 1.00 15.44 H new ATOM 0 HG SER A 96 8.128 36.607 25.327 1.00 1.30 H new ATOM 1508 N ARG A 97 9.200 33.147 21.801 1.00 60.21 N ATOM 1509 CA ARG A 97 9.444 32.922 20.382 1.00 53.03 C ATOM 1510 C ARG A 97 9.246 31.452 20.023 1.00 32.32 C ATOM 1511 O ARG A 97 9.271 30.570 20.881 1.00 35.34 O ATOM 1512 CB ARG A 97 10.861 33.362 20.010 1.00 65.42 C ATOM 1513 CG ARG A 97 10.949 34.809 19.555 1.00 64.34 C ATOM 1514 CD ARG A 97 12.389 35.222 19.286 1.00 3.35 C ATOM 1515 NE ARG A 97 12.939 36.029 20.372 1.00 73.13 N ATOM 1516 CZ ARG A 97 14.235 36.277 20.518 1.00 51.14 C ATOM 1517 NH1 ARG A 97 15.110 35.784 19.652 1.00 45.43 N ATOM 1518 NH2 ARG A 97 14.660 37.020 21.533 1.00 4.42 N ATOM 0 H ARG A 97 10.011 32.988 22.399 1.00 60.21 H new ATOM 0 HA ARG A 97 8.726 33.517 19.817 1.00 53.03 H new ATOM 0 HB2 ARG A 97 11.514 33.220 20.871 1.00 65.42 H new ATOM 0 HB3 ARG A 97 11.236 32.717 19.216 1.00 65.42 H new ATOM 0 HG2 ARG A 97 10.356 34.944 18.651 1.00 64.34 H new ATOM 0 HG3 ARG A 97 10.520 35.458 20.318 1.00 64.34 H new ATOM 0 HD2 ARG A 97 13.002 34.331 19.150 1.00 3.35 H new ATOM 0 HD3 ARG A 97 12.436 35.787 18.355 1.00 3.35 H new ATOM 0 HE ARG A 97 12.292 36.423 21.055 1.00 73.13 H new ATOM 0 HH11 ARG A 97 14.788 35.212 18.871 1.00 45.43 H new ATOM 0 HH12 ARG A 97 16.105 35.976 19.767 1.00 45.43 H new ATOM 0 HH21 ARG A 97 13.990 37.401 22.202 1.00 4.42 H new ATOM 0 HH22 ARG A 97 15.656 37.210 21.644 1.00 4.42 H new ATOM 1532 N PRO A 98 9.044 31.182 18.724 1.00 72.52 N ATOM 1533 CA PRO A 98 8.838 29.820 18.222 1.00 62.13 C ATOM 1534 C PRO A 98 10.104 28.975 18.302 1.00 53.04 C ATOM 1535 O PRO A 98 11.213 29.504 18.384 1.00 45.42 O ATOM 1536 CB PRO A 98 8.431 30.038 16.763 1.00 50.22 C ATOM 1537 CG PRO A 98 9.030 31.352 16.395 1.00 42.32 C ATOM 1538 CD PRO A 98 9.002 32.185 17.648 1.00 35.03 C ATOM 0 HA PRO A 98 8.097 29.277 18.809 1.00 62.13 H new ATOM 0 HB2 PRO A 98 8.806 29.239 16.124 1.00 50.22 H new ATOM 0 HB3 PRO A 98 7.347 30.052 16.652 1.00 50.22 H new ATOM 0 HG2 PRO A 98 10.050 31.228 16.032 1.00 42.32 H new ATOM 0 HG3 PRO A 98 8.463 31.830 15.596 1.00 42.32 H new ATOM 0 HD2 PRO A 98 9.853 32.864 17.698 1.00 35.03 H new ATOM 0 HD3 PRO A 98 8.102 32.797 17.704 1.00 35.03 H new ATOM 1546 N VAL A 99 9.933 27.657 18.276 1.00 72.41 N ATOM 1547 CA VAL A 99 11.064 26.738 18.344 1.00 31.43 C ATOM 1548 C VAL A 99 11.062 25.778 17.159 1.00 71.24 C ATOM 1549 O VAL A 99 10.015 25.264 16.764 1.00 63.05 O ATOM 1550 CB VAL A 99 11.047 25.923 19.651 1.00 32.22 C ATOM 1551 CG1 VAL A 99 12.313 25.089 19.777 1.00 12.33 C ATOM 1552 CG2 VAL A 99 10.884 26.845 20.851 1.00 14.12 C ATOM 0 H VAL A 99 9.023 27.202 18.208 1.00 72.41 H new ATOM 0 HA VAL A 99 11.969 27.345 18.315 1.00 31.43 H new ATOM 0 HB VAL A 99 10.195 25.244 19.625 1.00 32.22 H new ATOM 0 HG11 VAL A 99 12.283 24.520 20.706 1.00 12.33 H new ATOM 0 HG12 VAL A 99 12.382 24.402 18.933 1.00 12.33 H new ATOM 0 HG13 VAL A 99 13.183 25.746 19.782 1.00 12.33 H new ATOM 0 HG21 VAL A 99 10.874 26.253 21.766 1.00 14.12 H new ATOM 0 HG22 VAL A 99 11.715 27.550 20.884 1.00 14.12 H new ATOM 0 HG23 VAL A 99 9.946 27.394 20.764 1.00 14.12 H new ATOM 1562 N ILE A 100 12.243 25.540 16.597 1.00 3.13 N ATOM 1563 CA ILE A 100 12.378 24.641 15.459 1.00 14.14 C ATOM 1564 C ILE A 100 12.998 23.312 15.878 1.00 64.34 C ATOM 1565 O ILE A 100 12.659 22.259 15.339 1.00 21.11 O ATOM 1566 CB ILE A 100 13.239 25.267 14.345 1.00 32.31 C ATOM 1567 CG1 ILE A 100 12.768 26.692 14.047 1.00 54.11 C ATOM 1568 CG2 ILE A 100 13.184 24.411 13.089 1.00 54.34 C ATOM 1569 CD1 ILE A 100 11.312 26.775 13.647 1.00 74.01 C ATOM 0 H ILE A 100 13.119 25.957 16.912 1.00 3.13 H new ATOM 0 HA ILE A 100 11.373 24.466 15.075 1.00 14.14 H new ATOM 0 HB ILE A 100 14.273 25.310 14.686 1.00 32.31 H new ATOM 0 HG12 ILE A 100 12.930 27.312 14.929 1.00 54.11 H new ATOM 0 HG13 ILE A 100 13.381 27.109 13.248 1.00 54.11 H new ATOM 0 HG21 ILE A 100 13.797 24.866 12.311 1.00 54.34 H new ATOM 0 HG22 ILE A 100 13.562 23.413 13.312 1.00 54.34 H new ATOM 0 HG23 ILE A 100 12.153 24.339 12.743 1.00 54.34 H new ATOM 0 HD11 ILE A 100 11.047 27.814 13.451 1.00 74.01 H new ATOM 0 HD12 ILE A 100 11.148 26.182 12.747 1.00 74.01 H new ATOM 0 HD13 ILE A 100 10.690 26.388 14.455 1.00 74.01 H new ATOM 1581 N ALA A 101 13.908 23.369 16.845 1.00 43.23 N ATOM 1582 CA ALA A 101 14.573 22.171 17.341 1.00 12.44 C ATOM 1583 C ALA A 101 14.582 22.138 18.865 1.00 73.43 C ATOM 1584 O ALA A 101 14.614 23.183 19.517 1.00 73.23 O ATOM 1585 CB ALA A 101 15.993 22.093 16.801 1.00 52.12 C ATOM 0 H ALA A 101 14.201 24.233 17.301 1.00 43.23 H new ATOM 0 HA ALA A 101 14.014 21.304 16.989 1.00 12.44 H new ATOM 0 HB1 ALA A 101 16.477 21.193 17.180 1.00 52.12 H new ATOM 0 HB2 ALA A 101 15.967 22.060 15.712 1.00 52.12 H new ATOM 0 HB3 ALA A 101 16.554 22.970 17.124 1.00 52.12 H new ATOM 1591 N CYS A 102 14.554 20.935 19.427 1.00 21.44 N ATOM 1592 CA CYS A 102 14.558 20.767 20.876 1.00 21.23 C ATOM 1593 C CYS A 102 15.447 19.597 21.286 1.00 41.41 C ATOM 1594 O CYS A 102 15.559 18.608 20.563 1.00 31.53 O ATOM 1595 CB CYS A 102 13.133 20.544 21.387 1.00 61.32 C ATOM 1596 SG CYS A 102 12.435 18.934 20.952 1.00 52.34 S ATOM 0 H CYS A 102 14.528 20.061 18.901 1.00 21.44 H new ATOM 0 HA CYS A 102 14.959 21.677 21.322 1.00 21.23 H new ATOM 0 HB2 CYS A 102 13.127 20.649 22.472 1.00 61.32 H new ATOM 0 HB3 CYS A 102 12.489 21.327 20.987 1.00 61.32 H new ATOM 0 HG CYS A 102 11.230 18.840 21.430 1.00 52.34 H new ATOM 1602 N SER A 103 16.079 19.721 22.448 1.00 1.15 N ATOM 1603 CA SER A 103 16.963 18.677 22.952 1.00 13.01 C ATOM 1604 C SER A 103 16.576 18.274 24.371 1.00 3.13 C ATOM 1605 O SER A 103 16.816 19.012 25.326 1.00 21.32 O ATOM 1606 CB SER A 103 18.417 19.153 22.925 1.00 51.44 C ATOM 1607 OG SER A 103 18.725 19.782 21.693 1.00 44.22 O ATOM 0 H SER A 103 15.995 20.534 23.058 1.00 1.15 H new ATOM 0 HA SER A 103 16.860 17.806 22.305 1.00 13.01 H new ATOM 0 HB2 SER A 103 18.590 19.849 23.746 1.00 51.44 H new ATOM 0 HB3 SER A 103 19.084 18.305 23.080 1.00 51.44 H new ATOM 0 HG SER A 103 19.674 19.651 21.487 1.00 44.22 H new ATOM 1613 N VAL A 104 15.972 17.096 24.501 1.00 64.45 N ATOM 1614 CA VAL A 104 15.550 16.593 25.803 1.00 14.10 C ATOM 1615 C VAL A 104 16.671 15.811 26.479 1.00 71.04 C ATOM 1616 O VAL A 104 17.016 14.706 26.057 1.00 41.33 O ATOM 1617 CB VAL A 104 14.310 15.688 25.680 1.00 74.13 C ATOM 1618 CG1 VAL A 104 13.876 15.187 27.049 1.00 45.25 C ATOM 1619 CG2 VAL A 104 13.176 16.430 24.989 1.00 62.03 C ATOM 0 H VAL A 104 15.764 16.473 23.721 1.00 64.45 H new ATOM 0 HA VAL A 104 15.298 17.461 26.412 1.00 14.10 H new ATOM 0 HB VAL A 104 14.572 14.823 25.071 1.00 74.13 H new ATOM 0 HG11 VAL A 104 12.999 14.549 26.942 1.00 45.25 H new ATOM 0 HG12 VAL A 104 14.687 14.616 27.501 1.00 45.25 H new ATOM 0 HG13 VAL A 104 13.631 16.037 27.687 1.00 45.25 H new ATOM 0 HG21 VAL A 104 12.308 15.776 24.910 1.00 62.03 H new ATOM 0 HG22 VAL A 104 12.913 17.314 25.569 1.00 62.03 H new ATOM 0 HG23 VAL A 104 13.494 16.732 23.991 1.00 62.03 H new ATOM 1629 N THR A 105 17.238 16.391 27.533 1.00 52.11 N ATOM 1630 CA THR A 105 18.321 15.750 28.268 1.00 45.23 C ATOM 1631 C THR A 105 17.778 14.861 29.380 1.00 73.53 C ATOM 1632 O THR A 105 16.786 15.196 30.028 1.00 61.33 O ATOM 1633 CB THR A 105 19.279 16.791 28.879 1.00 2.23 C ATOM 1634 OG1 THR A 105 18.656 17.433 29.996 1.00 42.00 O ATOM 1635 CG2 THR A 105 19.675 17.833 27.845 1.00 11.42 C ATOM 0 H THR A 105 16.965 17.304 27.896 1.00 52.11 H new ATOM 0 HA THR A 105 18.871 15.138 27.553 1.00 45.23 H new ATOM 0 HB THR A 105 20.178 16.273 29.213 1.00 2.23 H new ATOM 0 HG1 THR A 105 19.272 18.092 30.380 1.00 42.00 H new ATOM 0 HG21 THR A 105 20.351 18.557 28.299 1.00 11.42 H new ATOM 0 HG22 THR A 105 20.175 17.344 27.009 1.00 11.42 H new ATOM 0 HG23 THR A 105 18.783 18.346 27.485 1.00 11.42 H new ATOM 1643 N ILE A 106 18.435 13.726 29.598 1.00 31.42 N ATOM 1644 CA ILE A 106 18.019 12.789 30.635 1.00 12.33 C ATOM 1645 C ILE A 106 18.712 13.092 31.958 1.00 35.52 C ATOM 1646 O ILE A 106 19.847 13.566 31.984 1.00 51.13 O ATOM 1647 CB ILE A 106 18.318 11.333 30.231 1.00 52.24 C ATOM 1648 CG1 ILE A 106 17.671 10.363 31.220 1.00 42.15 C ATOM 1649 CG2 ILE A 106 19.821 11.103 30.159 1.00 20.54 C ATOM 1650 CD1 ILE A 106 17.078 9.137 30.564 1.00 31.33 C ATOM 0 H ILE A 106 19.257 13.433 29.070 1.00 31.42 H new ATOM 0 HA ILE A 106 16.942 12.909 30.756 1.00 12.33 H new ATOM 0 HB ILE A 106 17.894 11.150 29.244 1.00 52.24 H new ATOM 0 HG12 ILE A 106 18.417 10.049 31.950 1.00 42.15 H new ATOM 0 HG13 ILE A 106 16.888 10.886 31.769 1.00 42.15 H new ATOM 0 HG21 ILE A 106 20.018 10.070 29.872 1.00 20.54 H new ATOM 0 HG22 ILE A 106 20.257 11.774 29.419 1.00 20.54 H new ATOM 0 HG23 ILE A 106 20.266 11.300 31.134 1.00 20.54 H new ATOM 0 HD11 ILE A 106 16.637 8.494 31.326 1.00 31.33 H new ATOM 0 HD12 ILE A 106 16.308 9.440 29.855 1.00 31.33 H new ATOM 0 HD13 ILE A 106 17.861 8.591 30.038 1.00 31.33 H new ATOM 1662 N LYS A 107 18.022 12.810 33.058 1.00 62.22 N ATOM 1663 CA LYS A 107 18.571 13.047 34.388 1.00 50.34 C ATOM 1664 C LYS A 107 18.424 11.810 35.267 1.00 24.22 C ATOM 1665 O LYS A 107 17.313 11.336 35.505 1.00 54.21 O ATOM 1666 CB LYS A 107 17.871 14.239 35.046 1.00 52.03 C ATOM 1667 CG LYS A 107 16.368 14.066 35.177 1.00 12.10 C ATOM 1668 CD LYS A 107 15.633 15.376 34.948 1.00 44.14 C ATOM 1669 CE LYS A 107 14.344 15.165 34.170 1.00 34.24 C ATOM 1670 NZ LYS A 107 14.045 16.313 33.270 1.00 30.35 N ATOM 0 H LYS A 107 17.081 12.417 33.055 1.00 62.22 H new ATOM 0 HA LYS A 107 19.633 13.270 34.280 1.00 50.34 H new ATOM 0 HB2 LYS A 107 18.297 14.398 36.036 1.00 52.03 H new ATOM 0 HB3 LYS A 107 18.075 15.137 34.463 1.00 52.03 H new ATOM 0 HG2 LYS A 107 16.022 13.324 34.458 1.00 12.10 H new ATOM 0 HG3 LYS A 107 16.130 13.683 36.169 1.00 12.10 H new ATOM 0 HD2 LYS A 107 15.407 15.840 35.908 1.00 44.14 H new ATOM 0 HD3 LYS A 107 16.278 16.066 34.404 1.00 44.14 H new ATOM 0 HE2 LYS A 107 14.421 14.252 33.580 1.00 34.24 H new ATOM 0 HE3 LYS A 107 13.518 15.025 34.867 1.00 34.24 H new ATOM 0 HZ1 LYS A 107 13.021 16.493 33.265 1.00 30.35 H new ATOM 0 HZ2 LYS A 107 14.543 17.160 33.610 1.00 30.35 H new ATOM 0 HZ3 LYS A 107 14.362 16.089 32.305 1.00 30.35 H new ATOM 1684 N GLU A 108 19.550 11.292 35.747 1.00 45.35 N ATOM 1685 CA GLU A 108 19.544 10.110 36.600 1.00 74.14 C ATOM 1686 C GLU A 108 18.937 10.426 37.964 1.00 62.22 C ATOM 1687 O GLU A 108 19.287 11.422 38.596 1.00 2.40 O ATOM 1688 CB GLU A 108 20.966 9.573 36.775 1.00 21.43 C ATOM 1689 CG GLU A 108 21.919 10.570 37.413 1.00 35.14 C ATOM 1690 CD GLU A 108 23.230 10.689 36.660 1.00 14.35 C ATOM 1691 OE1 GLU A 108 24.093 9.803 36.830 1.00 50.34 O ATOM 1692 OE2 GLU A 108 23.391 11.666 35.899 1.00 3.03 O ATOM 0 H GLU A 108 20.478 11.672 35.560 1.00 45.35 H new ATOM 0 HA GLU A 108 18.932 9.348 36.117 1.00 74.14 H new ATOM 0 HB2 GLU A 108 20.932 8.672 37.388 1.00 21.43 H new ATOM 0 HB3 GLU A 108 21.358 9.281 35.801 1.00 21.43 H new ATOM 0 HG2 GLU A 108 21.440 11.548 37.457 1.00 35.14 H new ATOM 0 HG3 GLU A 108 22.121 10.267 38.441 1.00 35.14 H new ATOM 1699 N GLY A 109 18.023 9.570 38.411 1.00 24.30 N ATOM 1700 CA GLY A 109 17.380 9.775 39.696 1.00 73.30 C ATOM 1701 C GLY A 109 15.926 10.181 39.559 1.00 73.35 C ATOM 1702 O GLY A 109 15.147 10.050 40.504 1.00 43.12 O ATOM 0 H GLY A 109 17.716 8.738 37.906 1.00 24.30 H new ATOM 0 HA2 GLY A 109 17.444 8.858 40.281 1.00 73.30 H new ATOM 0 HA3 GLY A 109 17.918 10.545 40.249 1.00 73.30 H new ATOM 1706 N SER A 110 15.560 10.675 38.381 1.00 32.40 N ATOM 1707 CA SER A 110 14.191 11.107 38.127 1.00 52.42 C ATOM 1708 C SER A 110 13.380 9.988 37.481 1.00 33.24 C ATOM 1709 O SER A 110 13.917 9.167 36.738 1.00 40.31 O ATOM 1710 CB SER A 110 14.183 12.342 37.224 1.00 50.24 C ATOM 1711 OG SER A 110 14.651 13.485 37.920 1.00 22.01 O ATOM 0 H SER A 110 16.192 10.786 37.588 1.00 32.40 H new ATOM 0 HA SER A 110 13.733 11.361 39.083 1.00 52.42 H new ATOM 0 HB2 SER A 110 14.810 12.162 36.351 1.00 50.24 H new ATOM 0 HB3 SER A 110 13.172 12.523 36.859 1.00 50.24 H new ATOM 0 HG SER A 110 13.928 13.852 38.470 1.00 22.01 H new ATOM 1717 N GLN A 111 12.083 9.961 37.773 1.00 32.42 N ATOM 1718 CA GLN A 111 11.197 8.942 37.223 1.00 13.41 C ATOM 1719 C GLN A 111 11.005 9.140 35.722 1.00 73.24 C ATOM 1720 O GLN A 111 10.721 8.190 34.991 1.00 61.41 O ATOM 1721 CB GLN A 111 9.842 8.977 37.931 1.00 43.13 C ATOM 1722 CG GLN A 111 9.029 10.224 37.625 1.00 44.23 C ATOM 1723 CD GLN A 111 8.022 10.546 38.712 1.00 12.25 C ATOM 1724 OE1 GLN A 111 8.292 11.344 39.609 1.00 70.44 O ATOM 1725 NE2 GLN A 111 6.851 9.923 38.637 1.00 43.42 N ATOM 0 H GLN A 111 11.623 10.633 38.387 1.00 32.42 H new ATOM 0 HA GLN A 111 11.659 7.969 37.387 1.00 13.41 H new ATOM 0 HB2 GLN A 111 9.267 8.098 37.641 1.00 43.13 H new ATOM 0 HB3 GLN A 111 10.002 8.912 39.007 1.00 43.13 H new ATOM 0 HG2 GLN A 111 9.704 11.071 37.498 1.00 44.23 H new ATOM 0 HG3 GLN A 111 8.505 10.089 36.679 1.00 44.23 H new ATOM 0 HE21 GLN A 111 6.669 9.269 37.876 1.00 43.42 H new ATOM 0 HE22 GLN A 111 6.134 10.099 39.341 1.00 43.42 H new ATOM 1734 N LEU A 112 11.164 10.378 35.269 1.00 2.11 N ATOM 1735 CA LEU A 112 11.008 10.701 33.855 1.00 63.14 C ATOM 1736 C LEU A 112 11.865 9.784 32.989 1.00 64.43 C ATOM 1737 O LEU A 112 11.467 9.399 31.890 1.00 22.12 O ATOM 1738 CB LEU A 112 11.387 12.161 33.601 1.00 5.34 C ATOM 1739 CG LEU A 112 10.350 13.003 32.853 1.00 72.44 C ATOM 1740 CD1 LEU A 112 9.383 13.651 33.831 1.00 74.11 C ATOM 1741 CD2 LEU A 112 11.037 14.059 32.000 1.00 32.13 C ATOM 0 H LEU A 112 11.401 11.175 35.860 1.00 2.11 H new ATOM 0 HA LEU A 112 9.962 10.551 33.587 1.00 63.14 H new ATOM 0 HB2 LEU A 112 11.587 12.636 34.561 1.00 5.34 H new ATOM 0 HB3 LEU A 112 12.318 12.181 33.035 1.00 5.34 H new ATOM 0 HG LEU A 112 9.782 12.346 32.195 1.00 72.44 H new ATOM 0 HD11 LEU A 112 8.653 14.245 33.281 1.00 74.11 H new ATOM 0 HD12 LEU A 112 8.867 12.877 34.399 1.00 74.11 H new ATOM 0 HD13 LEU A 112 9.935 14.296 34.515 1.00 74.11 H new ATOM 0 HD21 LEU A 112 10.285 14.648 31.475 1.00 32.13 H new ATOM 0 HD22 LEU A 112 11.630 14.713 32.639 1.00 32.13 H new ATOM 0 HD23 LEU A 112 11.689 13.573 31.274 1.00 32.13 H new ATOM 1753 N LYS A 113 13.044 9.435 33.493 1.00 54.34 N ATOM 1754 CA LYS A 113 13.958 8.560 32.769 1.00 53.43 C ATOM 1755 C LYS A 113 13.277 7.244 32.405 1.00 51.10 C ATOM 1756 O LYS A 113 13.590 6.636 31.382 1.00 75.30 O ATOM 1757 CB LYS A 113 15.208 8.285 33.608 1.00 23.22 C ATOM 1758 CG LYS A 113 16.123 7.232 33.010 1.00 34.21 C ATOM 1759 CD LYS A 113 15.936 5.882 33.683 1.00 13.35 C ATOM 1760 CE LYS A 113 17.023 4.900 33.276 1.00 13.30 C ATOM 1761 NZ LYS A 113 17.330 3.930 34.363 1.00 11.12 N ATOM 0 H LYS A 113 13.389 9.745 34.401 1.00 54.34 H new ATOM 0 HA LYS A 113 14.251 9.065 31.848 1.00 53.43 H new ATOM 0 HB2 LYS A 113 15.766 9.213 33.728 1.00 23.22 H new ATOM 0 HB3 LYS A 113 14.903 7.966 34.605 1.00 23.22 H new ATOM 0 HG2 LYS A 113 15.922 7.138 31.943 1.00 34.21 H new ATOM 0 HG3 LYS A 113 17.161 7.550 33.113 1.00 34.21 H new ATOM 0 HD2 LYS A 113 15.946 6.010 34.765 1.00 13.35 H new ATOM 0 HD3 LYS A 113 14.960 5.475 33.419 1.00 13.35 H new ATOM 0 HE2 LYS A 113 16.707 4.358 32.384 1.00 13.30 H new ATOM 0 HE3 LYS A 113 17.927 5.448 33.012 1.00 13.30 H new ATOM 0 HZ1 LYS A 113 18.076 3.278 34.046 1.00 11.12 H new ATOM 0 HZ2 LYS A 113 17.655 4.445 35.206 1.00 11.12 H new ATOM 0 HZ3 LYS A 113 16.473 3.389 34.597 1.00 11.12 H new ATOM 1775 N GLN A 114 12.345 6.813 33.247 1.00 23.41 N ATOM 1776 CA GLN A 114 11.620 5.570 33.014 1.00 12.42 C ATOM 1777 C GLN A 114 10.665 5.711 31.833 1.00 53.12 C ATOM 1778 O GLN A 114 10.324 4.726 31.178 1.00 4.32 O ATOM 1779 CB GLN A 114 10.844 5.163 34.267 1.00 24.22 C ATOM 1780 CG GLN A 114 11.652 5.282 35.548 1.00 60.32 C ATOM 1781 CD GLN A 114 10.885 4.808 36.768 1.00 75.11 C ATOM 1782 OE1 GLN A 114 9.712 4.447 36.676 1.00 70.21 O ATOM 1783 NE2 GLN A 114 11.547 4.806 37.919 1.00 74.11 N ATOM 0 H GLN A 114 12.074 7.306 34.098 1.00 23.41 H new ATOM 0 HA GLN A 114 12.348 4.793 32.779 1.00 12.42 H new ATOM 0 HB2 GLN A 114 9.953 5.785 34.350 1.00 24.22 H new ATOM 0 HB3 GLN A 114 10.505 4.133 34.156 1.00 24.22 H new ATOM 0 HG2 GLN A 114 12.568 4.700 35.451 1.00 60.32 H new ATOM 0 HG3 GLN A 114 11.948 6.321 35.691 1.00 60.32 H new ATOM 0 HE21 GLN A 114 12.519 5.114 37.949 1.00 74.11 H new ATOM 0 HE22 GLN A 114 11.084 4.497 38.773 1.00 74.11 H new ATOM 1792 N GLN A 115 10.239 6.941 31.566 1.00 24.32 N ATOM 1793 CA GLN A 115 9.321 7.209 30.465 1.00 53.32 C ATOM 1794 C GLN A 115 10.087 7.506 29.179 1.00 31.53 C ATOM 1795 O GLN A 115 9.791 6.942 28.125 1.00 65.41 O ATOM 1796 CB GLN A 115 8.406 8.386 30.810 1.00 73.25 C ATOM 1797 CG GLN A 115 7.679 8.964 29.607 1.00 51.44 C ATOM 1798 CD GLN A 115 6.211 9.224 29.882 1.00 70.23 C ATOM 1799 OE1 GLN A 115 5.822 9.513 31.014 1.00 2.24 O ATOM 1800 NE2 GLN A 115 5.388 9.123 28.846 1.00 13.04 N ATOM 0 H GLN A 115 10.514 7.767 32.096 1.00 24.32 H new ATOM 0 HA GLN A 115 8.712 6.319 30.308 1.00 53.32 H new ATOM 0 HB2 GLN A 115 7.671 8.061 31.546 1.00 73.25 H new ATOM 0 HB3 GLN A 115 8.999 9.172 31.278 1.00 73.25 H new ATOM 0 HG2 GLN A 115 8.160 9.896 29.310 1.00 51.44 H new ATOM 0 HG3 GLN A 115 7.771 8.276 28.767 1.00 51.44 H new ATOM 0 HE21 GLN A 115 5.754 8.881 27.925 1.00 13.04 H new ATOM 0 HE22 GLN A 115 4.389 9.287 28.970 1.00 13.04 H new ATOM 1809 N ILE A 116 11.072 8.393 29.274 1.00 34.42 N ATOM 1810 CA ILE A 116 11.881 8.762 28.119 1.00 1.02 C ATOM 1811 C ILE A 116 12.460 7.528 27.437 1.00 15.31 C ATOM 1812 O ILE A 116 12.583 7.486 26.213 1.00 55.11 O ATOM 1813 CB ILE A 116 13.032 9.704 28.516 1.00 73.24 C ATOM 1814 CG1 ILE A 116 12.482 10.969 29.177 1.00 41.41 C ATOM 1815 CG2 ILE A 116 13.871 10.058 27.297 1.00 45.02 C ATOM 1816 CD1 ILE A 116 13.558 11.915 29.661 1.00 24.20 C ATOM 0 H ILE A 116 11.329 8.869 30.139 1.00 34.42 H new ATOM 0 HA ILE A 116 11.221 9.282 27.424 1.00 1.02 H new ATOM 0 HB ILE A 116 13.670 9.190 29.235 1.00 73.24 H new ATOM 0 HG12 ILE A 116 11.843 11.492 28.466 1.00 41.41 H new ATOM 0 HG13 ILE A 116 11.854 10.684 30.021 1.00 41.41 H new ATOM 0 HG21 ILE A 116 14.681 10.725 27.594 1.00 45.02 H new ATOM 0 HG22 ILE A 116 14.289 9.148 26.867 1.00 45.02 H new ATOM 0 HG23 ILE A 116 13.245 10.555 26.556 1.00 45.02 H new ATOM 0 HD11 ILE A 116 13.095 12.789 30.118 1.00 24.20 H new ATOM 0 HD12 ILE A 116 14.183 11.409 30.397 1.00 24.20 H new ATOM 0 HD13 ILE A 116 14.172 12.229 28.817 1.00 24.20 H new ATOM 1828 N GLN A 117 12.811 6.526 28.236 1.00 12.30 N ATOM 1829 CA GLN A 117 13.377 5.290 27.707 1.00 64.02 C ATOM 1830 C GLN A 117 12.297 4.433 27.055 1.00 24.51 C ATOM 1831 O GLN A 117 12.539 3.775 26.043 1.00 51.02 O ATOM 1832 CB GLN A 117 14.067 4.503 28.823 1.00 12.53 C ATOM 1833 CG GLN A 117 13.121 4.054 29.924 1.00 25.03 C ATOM 1834 CD GLN A 117 12.550 2.671 29.677 1.00 12.34 C ATOM 1835 OE1 GLN A 117 12.802 2.060 28.638 1.00 4.45 O ATOM 1836 NE2 GLN A 117 11.777 2.170 30.633 1.00 41.41 N ATOM 0 H GLN A 117 12.714 6.545 29.251 1.00 12.30 H new ATOM 0 HA GLN A 117 14.114 5.552 26.948 1.00 64.02 H new ATOM 0 HB2 GLN A 117 14.552 3.627 28.392 1.00 12.53 H new ATOM 0 HB3 GLN A 117 14.853 5.120 29.259 1.00 12.53 H new ATOM 0 HG2 GLN A 117 13.650 4.059 30.877 1.00 25.03 H new ATOM 0 HG3 GLN A 117 12.304 4.770 30.010 1.00 25.03 H new ATOM 0 HE21 GLN A 117 11.595 2.712 31.478 1.00 41.41 H new ATOM 0 HE22 GLN A 117 11.365 1.243 30.523 1.00 41.41 H new ATOM 1845 N SER A 118 11.105 4.445 27.643 1.00 34.43 N ATOM 1846 CA SER A 118 9.989 3.664 27.122 1.00 12.53 C ATOM 1847 C SER A 118 9.617 4.122 25.714 1.00 30.54 C ATOM 1848 O SER A 118 9.518 3.311 24.793 1.00 10.43 O ATOM 1849 CB SER A 118 8.777 3.787 28.047 1.00 24.51 C ATOM 1850 OG SER A 118 8.686 2.673 28.920 1.00 0.31 O ATOM 0 H SER A 118 10.887 4.986 28.480 1.00 34.43 H new ATOM 0 HA SER A 118 10.298 2.620 27.077 1.00 12.53 H new ATOM 0 HB2 SER A 118 8.852 4.705 28.630 1.00 24.51 H new ATOM 0 HB3 SER A 118 7.867 3.862 27.451 1.00 24.51 H new ATOM 0 HG SER A 118 7.904 2.776 29.502 1.00 0.31 H new ATOM 1856 N ILE A 119 9.411 5.424 25.558 1.00 1.50 N ATOM 1857 CA ILE A 119 9.051 5.990 24.264 1.00 10.14 C ATOM 1858 C ILE A 119 10.200 5.864 23.270 1.00 12.10 C ATOM 1859 O ILE A 119 9.982 5.776 22.062 1.00 3.52 O ATOM 1860 CB ILE A 119 8.655 7.474 24.388 1.00 33.24 C ATOM 1861 CG1 ILE A 119 8.219 8.024 23.028 1.00 71.51 C ATOM 1862 CG2 ILE A 119 9.814 8.285 24.947 1.00 24.04 C ATOM 1863 CD1 ILE A 119 7.476 9.338 23.118 1.00 53.14 C ATOM 0 H ILE A 119 9.487 6.108 26.311 1.00 1.50 H new ATOM 0 HA ILE A 119 8.194 5.423 23.900 1.00 10.14 H new ATOM 0 HB ILE A 119 7.814 7.555 25.077 1.00 33.24 H new ATOM 0 HG12 ILE A 119 9.100 8.156 22.399 1.00 71.51 H new ATOM 0 HG13 ILE A 119 7.583 7.289 22.535 1.00 71.51 H new ATOM 0 HG21 ILE A 119 9.520 9.331 25.029 1.00 24.04 H new ATOM 0 HG22 ILE A 119 10.082 7.905 25.933 1.00 24.04 H new ATOM 0 HG23 ILE A 119 10.672 8.201 24.280 1.00 24.04 H new ATOM 0 HD11 ILE A 119 7.198 9.668 22.117 1.00 53.14 H new ATOM 0 HD12 ILE A 119 6.577 9.207 23.720 1.00 53.14 H new ATOM 0 HD13 ILE A 119 8.117 10.087 23.582 1.00 53.14 H new ATOM 1875 N GLN A 120 11.424 5.854 23.787 1.00 31.35 N ATOM 1876 CA GLN A 120 12.608 5.736 22.944 1.00 3.11 C ATOM 1877 C GLN A 120 12.492 4.540 22.005 1.00 15.41 C ATOM 1878 O GLN A 120 12.796 4.641 20.817 1.00 52.43 O ATOM 1879 CB GLN A 120 13.864 5.602 23.807 1.00 31.41 C ATOM 1880 CG GLN A 120 15.108 6.199 23.170 1.00 35.04 C ATOM 1881 CD GLN A 120 16.305 6.182 24.098 1.00 63.42 C ATOM 1882 OE1 GLN A 120 16.509 7.277 24.822 1.00 74.11 O flip ATOM 1883 NE2 GLN A 120 17.039 5.196 24.166 1.00 53.14 N flip ATOM 0 H GLN A 120 11.622 5.926 24.785 1.00 31.35 H new ATOM 0 HA GLN A 120 12.685 6.641 22.342 1.00 3.11 H new ATOM 0 HB2 GLN A 120 13.689 6.088 24.767 1.00 31.41 H new ATOM 0 HB3 GLN A 120 14.042 4.546 24.012 1.00 31.41 H new ATOM 0 HG2 GLN A 120 15.349 5.644 22.263 1.00 35.04 H new ATOM 0 HG3 GLN A 120 14.900 7.226 22.870 1.00 35.04 H new ATOM 0 HE21 GLN A 120 16.845 4.376 23.592 1.00 53.14 H new ATOM 0 HE22 GLN A 120 17.841 5.199 24.797 1.00 53.14 H new ATOM 1892 N GLN A 121 12.050 3.410 22.546 1.00 64.11 N ATOM 1893 CA GLN A 121 11.894 2.195 21.755 1.00 73.54 C ATOM 1894 C GLN A 121 10.959 2.429 20.575 1.00 15.45 C ATOM 1895 O GLN A 121 11.074 1.774 19.538 1.00 62.41 O ATOM 1896 CB GLN A 121 11.359 1.058 22.628 1.00 62.45 C ATOM 1897 CG GLN A 121 11.939 -0.303 22.279 1.00 2.22 C ATOM 1898 CD GLN A 121 12.146 -1.180 23.498 1.00 3.32 C ATOM 1899 OE1 GLN A 121 12.612 -0.717 24.538 1.00 44.24 O ATOM 1900 NE2 GLN A 121 11.797 -2.455 23.375 1.00 21.41 N ATOM 0 H GLN A 121 11.794 3.310 23.528 1.00 64.11 H new ATOM 0 HA GLN A 121 12.874 1.916 21.368 1.00 73.54 H new ATOM 0 HB2 GLN A 121 11.578 1.280 23.673 1.00 62.45 H new ATOM 0 HB3 GLN A 121 10.274 1.017 22.531 1.00 62.45 H new ATOM 0 HG2 GLN A 121 11.272 -0.809 21.581 1.00 2.22 H new ATOM 0 HG3 GLN A 121 12.892 -0.167 21.768 1.00 2.22 H new ATOM 0 HE21 GLN A 121 11.414 -2.796 22.493 1.00 21.41 H new ATOM 0 HE22 GLN A 121 11.912 -3.093 24.162 1.00 21.41 H new ATOM 1909 N SER A 122 10.032 3.367 20.738 1.00 0.20 N ATOM 1910 CA SER A 122 9.072 3.685 19.686 1.00 62.05 C ATOM 1911 C SER A 122 9.780 4.244 18.456 1.00 51.52 C ATOM 1912 O SER A 122 9.323 4.064 17.327 1.00 2.23 O ATOM 1913 CB SER A 122 8.040 4.693 20.196 1.00 44.20 C ATOM 1914 OG SER A 122 7.544 4.315 21.469 1.00 43.14 O ATOM 0 H SER A 122 9.925 3.920 21.588 1.00 0.20 H new ATOM 0 HA SER A 122 8.562 2.764 19.403 1.00 62.05 H new ATOM 0 HB2 SER A 122 8.493 5.682 20.258 1.00 44.20 H new ATOM 0 HB3 SER A 122 7.215 4.764 19.487 1.00 44.20 H new ATOM 0 HG SER A 122 6.888 4.976 21.774 1.00 43.14 H new ATOM 1920 N ILE A 123 10.900 4.924 18.683 1.00 13.13 N ATOM 1921 CA ILE A 123 11.672 5.509 17.594 1.00 33.31 C ATOM 1922 C ILE A 123 12.020 4.461 16.542 1.00 75.22 C ATOM 1923 O ILE A 123 11.918 4.714 15.343 1.00 13.11 O ATOM 1924 CB ILE A 123 12.972 6.154 18.109 1.00 73.51 C ATOM 1925 CG1 ILE A 123 12.659 7.193 19.187 1.00 70.24 C ATOM 1926 CG2 ILE A 123 13.739 6.790 16.959 1.00 72.55 C ATOM 1927 CD1 ILE A 123 13.891 7.853 19.766 1.00 13.10 C ATOM 0 H ILE A 123 11.292 5.083 19.611 1.00 13.13 H new ATOM 0 HA ILE A 123 11.047 6.280 17.143 1.00 33.31 H new ATOM 0 HB ILE A 123 13.596 5.377 18.550 1.00 73.51 H new ATOM 0 HG12 ILE A 123 12.011 7.960 18.763 1.00 70.24 H new ATOM 0 HG13 ILE A 123 12.102 6.713 19.992 1.00 70.24 H new ATOM 0 HG21 ILE A 123 14.655 7.242 17.339 1.00 72.55 H new ATOM 0 HG22 ILE A 123 13.989 6.027 16.222 1.00 72.55 H new ATOM 0 HG23 ILE A 123 13.123 7.558 16.491 1.00 72.55 H new ATOM 0 HD11 ILE A 123 13.593 8.578 20.524 1.00 13.10 H new ATOM 0 HD12 ILE A 123 14.530 7.096 20.220 1.00 13.10 H new ATOM 0 HD13 ILE A 123 14.438 8.362 18.972 1.00 13.10 H new ATOM 1939 N GLU A 124 12.429 3.282 17.002 1.00 13.40 N ATOM 1940 CA GLU A 124 12.791 2.195 16.099 1.00 74.13 C ATOM 1941 C GLU A 124 11.580 1.731 15.294 1.00 61.34 C ATOM 1942 O GLU A 124 11.658 1.566 14.077 1.00 2.41 O ATOM 1943 CB GLU A 124 13.374 1.020 16.888 1.00 53.31 C ATOM 1944 CG GLU A 124 14.603 1.385 17.703 1.00 21.20 C ATOM 1945 CD GLU A 124 15.152 0.209 18.487 1.00 50.44 C ATOM 1946 OE1 GLU A 124 14.370 -0.710 18.808 1.00 11.52 O ATOM 1947 OE2 GLU A 124 16.367 0.208 18.781 1.00 13.25 O ATOM 0 H GLU A 124 12.518 3.056 17.993 1.00 13.40 H new ATOM 0 HA GLU A 124 13.545 2.568 15.406 1.00 74.13 H new ATOM 0 HB2 GLU A 124 12.608 0.627 17.557 1.00 53.31 H new ATOM 0 HB3 GLU A 124 13.633 0.220 16.194 1.00 53.31 H new ATOM 0 HG2 GLU A 124 15.377 1.766 17.036 1.00 21.20 H new ATOM 0 HG3 GLU A 124 14.351 2.191 18.392 1.00 21.20 H new ATOM 1954 N ARG A 125 10.464 1.521 15.983 1.00 31.24 N ATOM 1955 CA ARG A 125 9.237 1.074 15.334 1.00 15.11 C ATOM 1956 C ARG A 125 8.799 2.065 14.260 1.00 25.33 C ATOM 1957 O ARG A 125 8.475 1.677 13.137 1.00 43.43 O ATOM 1958 CB ARG A 125 8.123 0.898 16.367 1.00 32.24 C ATOM 1959 CG ARG A 125 8.181 -0.429 17.105 1.00 61.10 C ATOM 1960 CD ARG A 125 6.788 -0.966 17.395 1.00 34.45 C ATOM 1961 NE ARG A 125 6.174 -1.561 16.211 1.00 24.32 N ATOM 1962 CZ ARG A 125 6.462 -2.778 15.766 1.00 33.54 C ATOM 1963 NH1 ARG A 125 7.352 -3.528 16.403 1.00 40.51 N ATOM 1964 NH2 ARG A 125 5.860 -3.250 14.682 1.00 40.20 N ATOM 0 H ARG A 125 10.384 1.653 16.991 1.00 31.24 H new ATOM 0 HA ARG A 125 9.436 0.114 14.858 1.00 15.11 H new ATOM 0 HB2 ARG A 125 8.180 1.710 17.092 1.00 32.24 H new ATOM 0 HB3 ARG A 125 7.158 0.984 15.867 1.00 32.24 H new ATOM 0 HG2 ARG A 125 8.735 -1.154 16.509 1.00 61.10 H new ATOM 0 HG3 ARG A 125 8.726 -0.303 18.041 1.00 61.10 H new ATOM 0 HD2 ARG A 125 6.845 -1.712 18.188 1.00 34.45 H new ATOM 0 HD3 ARG A 125 6.157 -0.157 17.763 1.00 34.45 H new ATOM 0 HE ARG A 125 5.486 -1.011 15.697 1.00 24.32 H new ATOM 0 HH11 ARG A 125 7.817 -3.170 17.237 1.00 40.51 H new ATOM 0 HH12 ARG A 125 7.571 -4.463 16.059 1.00 40.51 H new ATOM 0 HH21 ARG A 125 5.175 -2.677 14.189 1.00 40.20 H new ATOM 0 HH22 ARG A 125 6.083 -4.185 14.341 1.00 40.20 H new ATOM 1978 N LEU A 126 8.790 3.346 14.613 1.00 73.14 N ATOM 1979 CA LEU A 126 8.391 4.393 13.680 1.00 43.23 C ATOM 1980 C LEU A 126 9.328 4.438 12.478 1.00 2.51 C ATOM 1981 O LEU A 126 8.884 4.545 11.333 1.00 25.10 O ATOM 1982 CB LEU A 126 8.379 5.752 14.383 1.00 11.42 C ATOM 1983 CG LEU A 126 7.014 6.248 14.861 1.00 45.13 C ATOM 1984 CD1 LEU A 126 6.119 6.576 13.676 1.00 35.22 C ATOM 1985 CD2 LEU A 126 6.355 5.213 15.760 1.00 70.51 C ATOM 0 H LEU A 126 9.054 3.684 15.538 1.00 73.14 H new ATOM 0 HA LEU A 126 7.386 4.165 13.325 1.00 43.23 H new ATOM 0 HB2 LEU A 126 9.046 5.699 15.244 1.00 11.42 H new ATOM 0 HB3 LEU A 126 8.795 6.495 13.702 1.00 11.42 H new ATOM 0 HG LEU A 126 7.163 7.160 15.440 1.00 45.13 H new ATOM 0 HD11 LEU A 126 5.152 6.927 14.036 1.00 35.22 H new ATOM 0 HD12 LEU A 126 6.586 7.354 13.072 1.00 35.22 H new ATOM 0 HD13 LEU A 126 5.977 5.682 13.069 1.00 35.22 H new ATOM 0 HD21 LEU A 126 5.385 5.583 16.091 1.00 70.51 H new ATOM 0 HD22 LEU A 126 6.219 4.284 15.207 1.00 70.51 H new ATOM 0 HD23 LEU A 126 6.988 5.029 16.628 1.00 70.51 H new ATOM 1997 N LEU A 127 10.626 4.355 12.743 1.00 73.24 N ATOM 1998 CA LEU A 127 11.629 4.383 11.682 1.00 4.04 C ATOM 1999 C LEU A 127 11.324 3.333 10.619 1.00 75.03 C ATOM 2000 O LEU A 127 11.259 3.640 9.429 1.00 75.22 O ATOM 2001 CB LEU A 127 13.023 4.149 12.265 1.00 14.32 C ATOM 2002 CG LEU A 127 13.800 5.401 12.672 1.00 13.11 C ATOM 2003 CD1 LEU A 127 14.747 5.091 13.820 1.00 43.13 C ATOM 2004 CD2 LEU A 127 14.566 5.964 11.483 1.00 33.54 C ATOM 0 H LEU A 127 11.010 4.268 13.684 1.00 73.24 H new ATOM 0 HA LEU A 127 11.601 5.366 11.213 1.00 4.04 H new ATOM 0 HB2 LEU A 127 12.926 3.506 13.140 1.00 14.32 H new ATOM 0 HB3 LEU A 127 13.614 3.601 11.531 1.00 14.32 H new ATOM 0 HG LEU A 127 13.088 6.154 13.009 1.00 13.11 H new ATOM 0 HD11 LEU A 127 15.292 5.994 14.096 1.00 43.13 H new ATOM 0 HD12 LEU A 127 14.175 4.735 14.677 1.00 43.13 H new ATOM 0 HD13 LEU A 127 15.454 4.321 13.511 1.00 43.13 H new ATOM 0 HD21 LEU A 127 15.113 6.855 11.791 1.00 33.54 H new ATOM 0 HD22 LEU A 127 15.268 5.216 11.115 1.00 33.54 H new ATOM 0 HD23 LEU A 127 13.866 6.225 10.690 1.00 33.54 H new