USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=20 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= -0.0837 X(o=-0.18,f=0) USER MOD Set 1.2: A 115 GLN : amide:sc= -0.0953 X(o=-0.18,f=0) USER MOD Set 2.1: A 34 GLN : amide:sc= 0.213 K(o=1.5,f=-2.5) USER MOD Set 2.2: A 105 THR OG1 : rot 107:sc= 1.31 USER MOD Set 3.1: A 51 SER OG : rot 180:sc= -1.4! USER MOD Set 3.2: A 103 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 32 TYR OH : rot 30:sc= -0.414 USER MOD Set 4.2: A 110 SER OG : rot -126:sc= 0.343 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 81:sc= -0.0838 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=-0.00453 X(o=-0.0045,f=0) USER MOD Single : A 29 SER OG : rot -27:sc= 1.15 USER MOD Single : A 30 CYS SG : rot -71:sc= 1.14 USER MOD Single : A 31 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.96) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= -0.0186 (180deg=-0.169) USER MOD Single : A 40 ASN : amide:sc= -0.237 K(o=-0.24,f=-1.1) USER MOD Single : A 43 THR OG1 : rot -66:sc= 0.865 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 4:sc= -0.349 USER MOD Single : A 47 ASN : amide:sc= -0.0704 X(o=-0.07,f=0) USER MOD Single : A 56 MET CE :methyl 141:sc= -4.42 (180deg=-9.74!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 80 TYR OH : rot 90:sc= -5! 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= -0.248 K(o=-0.25,f=-1.5!) USER MOD Single : A 93 CYS SG : rot 130:sc= -0.0474 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot -150:sc= -1.94 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.0137 K(o=-0.014,f=-0.54) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -1.42 K(o=-1.4,f=-4.1!) USER MOD Single : A 121 GLN : amide:sc= -0.241 K(o=-0.24,f=-2.5!) USER MOD Single : A 122 SER OG : rot -79:sc= 0.269 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 10.399 14.724 5.523 1.00 0.14 N ATOM 136 CA ALA A 10 9.432 13.855 6.184 1.00 35.35 C ATOM 137 C ALA A 10 9.556 12.419 5.687 1.00 23.32 C ATOM 138 O ALA A 10 8.650 11.898 5.038 1.00 54.44 O ATOM 139 CB ALA A 10 8.019 14.373 5.963 1.00 20.35 C ATOM 0 HA ALA A 10 9.645 13.861 7.253 1.00 35.35 H new ATOM 0 HB1 ALA A 10 7.308 13.715 6.462 1.00 20.35 H new ATOM 0 HB2 ALA A 10 7.932 15.379 6.374 1.00 20.35 H new ATOM 0 HB3 ALA A 10 7.803 14.397 4.895 1.00 20.35 H new ATOM 145 N TYR A 11 10.683 11.786 5.995 1.00 23.31 N ATOM 146 CA TYR A 11 10.926 10.411 5.577 1.00 43.42 C ATOM 147 C TYR A 11 12.014 9.766 6.429 1.00 13.14 C ATOM 148 O TYR A 11 13.209 9.951 6.200 1.00 32.51 O ATOM 149 CB TYR A 11 11.326 10.368 4.101 1.00 2.22 C ATOM 150 CG TYR A 11 10.949 9.078 3.409 1.00 62.13 C ATOM 151 CD1 TYR A 11 11.729 7.936 3.551 1.00 4.41 C ATOM 152 CD2 TYR A 11 9.813 9.000 2.611 1.00 61.30 C ATOM 153 CE1 TYR A 11 11.388 6.755 2.920 1.00 4.30 C ATOM 154 CE2 TYR A 11 9.465 7.823 1.978 1.00 72.21 C ATOM 155 CZ TYR A 11 10.255 6.703 2.136 1.00 62.53 C ATOM 156 OH TYR A 11 9.912 5.529 1.504 1.00 33.14 O ATOM 0 H TYR A 11 11.442 12.204 6.533 1.00 23.31 H new ATOM 0 HA TYR A 11 10.002 9.848 5.713 1.00 43.42 H new ATOM 0 HB2 TYR A 11 10.853 11.201 3.581 1.00 2.22 H new ATOM 0 HB3 TYR A 11 12.403 10.512 4.021 1.00 2.22 H new ATOM 0 HD1 TYR A 11 12.617 7.973 4.165 1.00 4.41 H new ATOM 0 HD2 TYR A 11 9.192 9.875 2.484 1.00 61.30 H new ATOM 0 HE1 TYR A 11 12.006 5.877 3.040 1.00 4.30 H new ATOM 0 HE2 TYR A 11 8.579 7.779 1.362 1.00 72.21 H new ATOM 0 HH TYR A 11 9.087 5.662 0.992 1.00 33.14 H new ATOM 166 N PRO A 12 11.592 8.989 7.438 1.00 63.23 N ATOM 167 CA PRO A 12 10.172 8.761 7.720 1.00 65.11 C ATOM 168 C PRO A 12 9.482 10.008 8.262 1.00 4.23 C ATOM 169 O PRO A 12 10.132 11.013 8.555 1.00 41.23 O ATOM 170 CB PRO A 12 10.193 7.659 8.781 1.00 75.21 C ATOM 171 CG PRO A 12 11.520 7.798 9.445 1.00 51.14 C ATOM 172 CD PRO A 12 12.468 8.273 8.380 1.00 31.40 C ATOM 0 HA PRO A 12 9.616 8.495 6.821 1.00 65.11 H new ATOM 0 HB2 PRO A 12 9.378 7.781 9.495 1.00 75.21 H new ATOM 0 HB3 PRO A 12 10.077 6.673 8.330 1.00 75.21 H new ATOM 0 HG2 PRO A 12 11.471 8.509 10.269 1.00 51.14 H new ATOM 0 HG3 PRO A 12 11.848 6.847 9.864 1.00 51.14 H new ATOM 0 HD2 PRO A 12 13.237 8.927 8.790 1.00 31.40 H new ATOM 0 HD3 PRO A 12 12.981 7.441 7.898 1.00 31.40 H new ATOM 180 N LEU A 13 8.161 9.938 8.395 1.00 30.11 N ATOM 181 CA LEU A 13 7.383 11.062 8.903 1.00 64.34 C ATOM 182 C LEU A 13 6.455 10.617 10.029 1.00 41.42 C ATOM 183 O LEU A 13 5.452 9.945 9.792 1.00 55.24 O ATOM 184 CB LEU A 13 6.565 11.694 7.774 1.00 54.21 C ATOM 185 CG LEU A 13 5.542 12.749 8.195 1.00 11.15 C ATOM 186 CD1 LEU A 13 6.192 13.797 9.085 1.00 71.24 C ATOM 187 CD2 LEU A 13 4.914 13.400 6.972 1.00 33.31 C ATOM 0 H LEU A 13 7.607 9.115 8.158 1.00 30.11 H new ATOM 0 HA LEU A 13 8.078 11.803 9.299 1.00 64.34 H new ATOM 0 HB2 LEU A 13 7.255 12.149 7.064 1.00 54.21 H new ATOM 0 HB3 LEU A 13 6.040 10.899 7.244 1.00 54.21 H new ATOM 0 HG LEU A 13 4.754 12.257 8.765 1.00 11.15 H new ATOM 0 HD11 LEU A 13 5.449 14.540 9.375 1.00 71.24 H new ATOM 0 HD12 LEU A 13 6.593 13.318 9.978 1.00 71.24 H new ATOM 0 HD13 LEU A 13 7.000 14.286 8.541 1.00 71.24 H new ATOM 0 HD21 LEU A 13 4.188 14.148 7.290 1.00 33.31 H new ATOM 0 HD22 LEU A 13 5.691 13.878 6.375 1.00 33.31 H new ATOM 0 HD23 LEU A 13 4.412 12.640 6.373 1.00 33.31 H new ATOM 199 N ALA A 14 6.796 10.999 11.255 1.00 33.03 N ATOM 200 CA ALA A 14 5.992 10.643 12.418 1.00 51.01 C ATOM 201 C ALA A 14 4.694 11.443 12.453 1.00 43.34 C ATOM 202 O ALA A 14 4.712 12.671 12.527 1.00 33.44 O ATOM 203 CB ALA A 14 6.786 10.866 13.697 1.00 62.11 C ATOM 0 H ALA A 14 7.624 11.555 11.469 1.00 33.03 H new ATOM 0 HA ALA A 14 5.736 9.586 12.342 1.00 51.01 H new ATOM 0 HB1 ALA A 14 6.173 10.596 14.557 1.00 62.11 H new ATOM 0 HB2 ALA A 14 7.683 10.246 13.681 1.00 62.11 H new ATOM 0 HB3 ALA A 14 7.071 11.915 13.770 1.00 62.11 H new ATOM 209 N ASP A 15 3.570 10.738 12.399 1.00 4.34 N ATOM 210 CA ASP A 15 2.261 11.383 12.426 1.00 73.03 C ATOM 211 C ASP A 15 2.021 12.071 13.766 1.00 33.41 C ATOM 212 O ASP A 15 2.794 11.902 14.708 1.00 13.33 O ATOM 213 CB ASP A 15 1.158 10.357 12.160 1.00 15.13 C ATOM 214 CG ASP A 15 1.154 9.235 13.181 1.00 4.32 C ATOM 215 OD1 ASP A 15 1.965 9.292 14.128 1.00 73.35 O ATOM 216 OD2 ASP A 15 0.338 8.301 13.032 1.00 71.20 O ATOM 0 H ASP A 15 3.538 9.720 12.336 1.00 4.34 H new ATOM 0 HA ASP A 15 2.240 12.139 11.641 1.00 73.03 H new ATOM 0 HB2 ASP A 15 0.190 10.857 12.170 1.00 15.13 H new ATOM 0 HB3 ASP A 15 1.289 9.937 11.163 1.00 15.13 H new ATOM 221 N ALA A 16 0.946 12.848 13.842 1.00 33.32 N ATOM 222 CA ALA A 16 0.604 13.562 15.067 1.00 62.24 C ATOM 223 C ALA A 16 0.111 12.601 16.142 1.00 40.33 C ATOM 224 O ALA A 16 0.182 12.898 17.335 1.00 65.42 O ATOM 225 CB ALA A 16 -0.447 14.624 14.782 1.00 33.23 C ATOM 0 H ALA A 16 0.297 12.999 13.070 1.00 33.32 H new ATOM 0 HA ALA A 16 1.505 14.050 15.439 1.00 62.24 H new ATOM 0 HB1 ALA A 16 -0.693 15.149 15.705 1.00 33.23 H new ATOM 0 HB2 ALA A 16 -0.058 15.335 14.053 1.00 33.23 H new ATOM 0 HB3 ALA A 16 -1.344 14.150 14.384 1.00 33.23 H new ATOM 231 N HIS A 17 -0.391 11.446 15.713 1.00 20.02 N ATOM 232 CA HIS A 17 -0.898 10.441 16.641 1.00 71.43 C ATOM 233 C HIS A 17 0.164 10.069 17.671 1.00 4.14 C ATOM 234 O HIS A 17 -0.139 9.890 18.852 1.00 53.33 O ATOM 235 CB HIS A 17 -1.344 9.193 15.878 1.00 1.12 C ATOM 236 CG HIS A 17 -2.581 8.560 16.437 1.00 25.12 C ATOM 237 ND1 HIS A 17 -2.590 7.824 17.603 1.00 70.54 N ATOM 238 CD2 HIS A 17 -3.857 8.560 15.984 1.00 52.23 C ATOM 239 CE1 HIS A 17 -3.816 7.396 17.841 1.00 3.42 C ATOM 240 NE2 HIS A 17 -4.605 7.829 16.875 1.00 63.41 N ATOM 0 H HIS A 17 -0.457 11.184 14.730 1.00 20.02 H new ATOM 0 HA HIS A 17 -1.755 10.864 17.165 1.00 71.43 H new ATOM 0 HB2 HIS A 17 -1.521 9.458 14.836 1.00 1.12 H new ATOM 0 HB3 HIS A 17 -0.535 8.462 15.888 1.00 1.12 H new ATOM 0 HD2 HIS A 17 -4.219 9.044 15.089 1.00 52.23 H new ATOM 0 HE1 HIS A 17 -4.122 6.793 18.684 1.00 3.42 H new ATOM 0 HE2 HIS A 17 -5.607 7.650 16.802 1.00 63.41 H new ATOM 248 N LEU A 18 1.408 9.956 17.219 1.00 4.13 N ATOM 249 CA LEU A 18 2.514 9.606 18.102 1.00 11.43 C ATOM 250 C LEU A 18 3.109 10.852 18.750 1.00 75.02 C ATOM 251 O LEU A 18 3.306 10.900 19.965 1.00 33.13 O ATOM 252 CB LEU A 18 3.596 8.855 17.324 1.00 40.01 C ATOM 253 CG LEU A 18 3.787 7.383 17.690 1.00 34.11 C ATOM 254 CD1 LEU A 18 4.259 7.248 19.130 1.00 24.50 C ATOM 255 CD2 LEU A 18 2.495 6.608 17.475 1.00 31.04 C ATOM 0 H LEU A 18 1.676 10.102 16.246 1.00 4.13 H new ATOM 0 HA LEU A 18 2.127 8.959 18.890 1.00 11.43 H new ATOM 0 HB2 LEU A 18 3.360 8.917 16.262 1.00 40.01 H new ATOM 0 HB3 LEU A 18 4.545 9.371 17.470 1.00 40.01 H new ATOM 0 HG LEU A 18 4.552 6.962 17.038 1.00 34.11 H new ATOM 0 HD11 LEU A 18 4.390 6.193 19.373 1.00 24.50 H new ATOM 0 HD12 LEU A 18 5.209 7.769 19.252 1.00 24.50 H new ATOM 0 HD13 LEU A 18 3.517 7.685 19.799 1.00 24.50 H new ATOM 0 HD21 LEU A 18 2.650 5.562 17.741 1.00 31.04 H new ATOM 0 HD22 LEU A 18 1.709 7.029 18.102 1.00 31.04 H new ATOM 0 HD23 LEU A 18 2.199 6.677 16.428 1.00 31.04 H new ATOM 267 N THR A 19 3.394 11.860 17.931 1.00 24.01 N ATOM 268 CA THR A 19 3.965 13.106 18.424 1.00 21.55 C ATOM 269 C THR A 19 3.097 13.716 19.519 1.00 54.44 C ATOM 270 O THR A 19 3.583 14.461 20.368 1.00 33.45 O ATOM 271 CB THR A 19 4.135 14.134 17.289 1.00 41.33 C ATOM 272 OG1 THR A 19 4.838 13.540 16.192 1.00 65.34 O ATOM 273 CG2 THR A 19 4.891 15.361 17.777 1.00 55.45 C ATOM 0 H THR A 19 3.238 11.837 16.923 1.00 24.01 H new ATOM 0 HA THR A 19 4.945 12.862 18.835 1.00 21.55 H new ATOM 0 HB THR A 19 3.144 14.445 16.960 1.00 41.33 H new ATOM 0 HG1 THR A 19 4.214 13.014 15.650 1.00 65.34 H new ATOM 0 HG21 THR A 19 4.998 16.072 16.958 1.00 55.45 H new ATOM 0 HG22 THR A 19 4.339 15.828 18.593 1.00 55.45 H new ATOM 0 HG23 THR A 19 5.878 15.063 18.131 1.00 55.45 H new ATOM 281 N LYS A 20 1.808 13.392 19.494 1.00 35.11 N ATOM 282 CA LYS A 20 0.871 13.904 20.485 1.00 13.33 C ATOM 283 C LYS A 20 1.375 13.638 21.900 1.00 51.01 C ATOM 284 O LYS A 20 1.496 14.556 22.710 1.00 14.43 O ATOM 285 CB LYS A 20 -0.507 13.264 20.295 1.00 34.43 C ATOM 286 CG LYS A 20 -1.522 13.681 21.344 1.00 30.21 C ATOM 287 CD LYS A 20 -2.945 13.533 20.834 1.00 61.31 C ATOM 288 CE LYS A 20 -3.912 14.411 21.613 1.00 31.23 C ATOM 289 NZ LYS A 20 -5.087 14.810 20.789 1.00 33.21 N ATOM 0 H LYS A 20 1.389 12.776 18.797 1.00 35.11 H new ATOM 0 HA LYS A 20 0.787 14.982 20.344 1.00 13.33 H new ATOM 0 HB2 LYS A 20 -0.888 13.528 19.308 1.00 34.43 H new ATOM 0 HB3 LYS A 20 -0.400 12.179 20.316 1.00 34.43 H new ATOM 0 HG2 LYS A 20 -1.391 13.074 22.240 1.00 30.21 H new ATOM 0 HG3 LYS A 20 -1.344 14.717 21.632 1.00 30.21 H new ATOM 0 HD2 LYS A 20 -2.983 13.797 19.777 1.00 61.31 H new ATOM 0 HD3 LYS A 20 -3.254 12.491 20.913 1.00 61.31 H new ATOM 0 HE2 LYS A 20 -4.255 13.876 22.499 1.00 31.23 H new ATOM 0 HE3 LYS A 20 -3.392 15.304 21.961 1.00 31.23 H new ATOM 0 HZ1 LYS A 20 -5.722 15.407 21.356 1.00 33.21 H new ATOM 0 HZ2 LYS A 20 -4.763 15.342 19.957 1.00 33.21 H new ATOM 0 HZ3 LYS A 20 -5.598 13.959 20.478 1.00 33.21 H new ATOM 303 N LYS A 21 1.670 12.375 22.190 1.00 3.35 N ATOM 304 CA LYS A 21 2.164 11.986 23.506 1.00 21.31 C ATOM 305 C LYS A 21 3.565 12.542 23.746 1.00 3.43 C ATOM 306 O LYS A 21 3.930 12.862 24.878 1.00 32.30 O ATOM 307 CB LYS A 21 2.179 10.462 23.638 1.00 13.00 C ATOM 308 CG LYS A 21 0.830 9.816 23.376 1.00 41.44 C ATOM 309 CD LYS A 21 0.900 8.304 23.508 1.00 13.14 C ATOM 310 CE LYS A 21 -0.433 7.652 23.173 1.00 52.11 C ATOM 311 NZ LYS A 21 -0.958 6.848 24.311 1.00 41.24 N ATOM 0 H LYS A 21 1.575 11.603 21.531 1.00 3.35 H new ATOM 0 HA LYS A 21 1.493 12.402 24.257 1.00 21.31 H new ATOM 0 HB2 LYS A 21 2.910 10.052 22.941 1.00 13.00 H new ATOM 0 HB3 LYS A 21 2.511 10.196 24.641 1.00 13.00 H new ATOM 0 HG2 LYS A 21 0.095 10.210 24.078 1.00 41.44 H new ATOM 0 HG3 LYS A 21 0.488 10.079 22.375 1.00 41.44 H new ATOM 0 HD2 LYS A 21 1.673 7.915 22.845 1.00 13.14 H new ATOM 0 HD3 LYS A 21 1.190 8.040 24.525 1.00 13.14 H new ATOM 0 HE2 LYS A 21 -1.157 8.422 22.907 1.00 52.11 H new ATOM 0 HE3 LYS A 21 -0.315 7.011 22.299 1.00 52.11 H new ATOM 0 HZ1 LYS A 21 -1.867 6.420 24.043 1.00 41.24 H new ATOM 0 HZ2 LYS A 21 -0.279 6.097 24.548 1.00 41.24 H new ATOM 0 HZ3 LYS A 21 -1.095 7.464 25.137 1.00 41.24 H new ATOM 325 N LEU A 22 4.344 12.655 22.676 1.00 45.53 N ATOM 326 CA LEU A 22 5.703 13.173 22.771 1.00 22.32 C ATOM 327 C LEU A 22 5.701 14.628 23.229 1.00 14.32 C ATOM 328 O LEU A 22 6.549 15.042 24.019 1.00 34.33 O ATOM 329 CB LEU A 22 6.411 13.054 21.419 1.00 13.30 C ATOM 330 CG LEU A 22 7.685 13.882 21.253 1.00 12.14 C ATOM 331 CD1 LEU A 22 8.682 13.156 20.364 1.00 61.11 C ATOM 332 CD2 LEU A 22 7.359 15.254 20.683 1.00 61.10 C ATOM 0 H LEU A 22 4.057 12.395 21.732 1.00 45.53 H new ATOM 0 HA LEU A 22 6.240 12.579 23.510 1.00 22.32 H new ATOM 0 HB2 LEU A 22 6.659 12.006 21.252 1.00 13.30 H new ATOM 0 HB3 LEU A 22 5.709 13.344 20.637 1.00 13.30 H new ATOM 0 HG LEU A 22 8.138 14.017 22.235 1.00 12.14 H new ATOM 0 HD11 LEU A 22 9.582 13.761 20.258 1.00 61.11 H new ATOM 0 HD12 LEU A 22 8.940 12.197 20.814 1.00 61.11 H new ATOM 0 HD13 LEU A 22 8.239 12.988 19.382 1.00 61.11 H new ATOM 0 HD21 LEU A 22 8.278 15.829 20.572 1.00 61.10 H new ATOM 0 HD22 LEU A 22 6.882 15.140 19.709 1.00 61.10 H new ATOM 0 HD23 LEU A 22 6.683 15.777 21.359 1.00 61.10 H new ATOM 344 N LEU A 23 4.740 15.398 22.730 1.00 12.34 N ATOM 345 CA LEU A 23 4.625 16.808 23.090 1.00 53.44 C ATOM 346 C LEU A 23 4.560 16.979 24.604 1.00 52.20 C ATOM 347 O LEU A 23 5.008 17.991 25.144 1.00 13.43 O ATOM 348 CB LEU A 23 3.382 17.419 22.442 1.00 31.34 C ATOM 349 CG LEU A 23 3.632 18.566 21.462 1.00 33.44 C ATOM 350 CD1 LEU A 23 4.327 18.056 20.209 1.00 44.44 C ATOM 351 CD2 LEU A 23 2.325 19.258 21.106 1.00 23.21 C ATOM 0 H LEU A 23 4.030 15.070 22.075 1.00 12.34 H new ATOM 0 HA LEU A 23 5.511 17.326 22.722 1.00 53.44 H new ATOM 0 HB2 LEU A 23 2.845 16.629 21.917 1.00 31.34 H new ATOM 0 HB3 LEU A 23 2.724 17.780 23.233 1.00 31.34 H new ATOM 0 HG LEU A 23 4.285 19.294 21.943 1.00 33.44 H new ATOM 0 HD11 LEU A 23 4.497 18.886 19.523 1.00 44.44 H new ATOM 0 HD12 LEU A 23 5.283 17.608 20.480 1.00 44.44 H new ATOM 0 HD13 LEU A 23 3.700 17.308 19.724 1.00 44.44 H new ATOM 0 HD21 LEU A 23 2.522 20.071 20.408 1.00 23.21 H new ATOM 0 HD22 LEU A 23 1.647 18.540 20.644 1.00 23.21 H new ATOM 0 HD23 LEU A 23 1.868 19.659 22.010 1.00 23.21 H new ATOM 363 N ASP A 24 4.001 15.984 25.284 1.00 53.25 N ATOM 364 CA ASP A 24 3.880 16.023 26.736 1.00 52.22 C ATOM 365 C ASP A 24 5.254 16.008 27.397 1.00 33.51 C ATOM 366 O ASP A 24 5.435 16.543 28.492 1.00 55.15 O ATOM 367 CB ASP A 24 3.049 14.838 27.232 1.00 35.40 C ATOM 368 CG ASP A 24 2.387 15.114 28.568 1.00 51.43 C ATOM 369 OD1 ASP A 24 2.524 16.247 29.075 1.00 71.31 O ATOM 370 OD2 ASP A 24 1.731 14.197 29.106 1.00 73.24 O ATOM 0 H ASP A 24 3.624 15.140 24.852 1.00 53.25 H new ATOM 0 HA ASP A 24 3.376 16.950 27.009 1.00 52.22 H new ATOM 0 HB2 ASP A 24 2.284 14.600 26.493 1.00 35.40 H new ATOM 0 HB3 ASP A 24 3.690 13.961 27.322 1.00 35.40 H new ATOM 375 N LEU A 25 6.221 15.392 26.725 1.00 33.24 N ATOM 376 CA LEU A 25 7.581 15.306 27.247 1.00 2.12 C ATOM 377 C LEU A 25 8.260 16.672 27.226 1.00 63.01 C ATOM 378 O LEU A 25 9.051 16.998 28.110 1.00 54.31 O ATOM 379 CB LEU A 25 8.399 14.305 26.431 1.00 72.13 C ATOM 380 CG LEU A 25 8.926 13.088 27.194 1.00 63.52 C ATOM 381 CD1 LEU A 25 9.875 13.522 28.299 1.00 22.05 C ATOM 382 CD2 LEU A 25 7.773 12.277 27.764 1.00 11.41 C ATOM 0 H LEU A 25 6.089 14.945 25.818 1.00 33.24 H new ATOM 0 HA LEU A 25 7.526 14.964 28.281 1.00 2.12 H new ATOM 0 HB2 LEU A 25 7.783 13.952 25.604 1.00 72.13 H new ATOM 0 HB3 LEU A 25 9.248 14.831 25.994 1.00 72.13 H new ATOM 0 HG LEU A 25 9.478 12.456 26.498 1.00 63.52 H new ATOM 0 HD11 LEU A 25 10.240 12.643 28.831 1.00 22.05 H new ATOM 0 HD12 LEU A 25 10.718 14.059 27.864 1.00 22.05 H new ATOM 0 HD13 LEU A 25 9.349 14.175 28.995 1.00 22.05 H new ATOM 0 HD21 LEU A 25 8.166 11.415 28.303 1.00 11.41 H new ATOM 0 HD22 LEU A 25 7.193 12.899 28.446 1.00 11.41 H new ATOM 0 HD23 LEU A 25 7.132 11.935 26.951 1.00 11.41 H new ATOM 394 N VAL A 26 7.941 17.469 26.211 1.00 30.23 N ATOM 395 CA VAL A 26 8.518 18.802 26.076 1.00 2.20 C ATOM 396 C VAL A 26 8.109 19.697 27.240 1.00 23.35 C ATOM 397 O VAL A 26 8.956 20.296 27.903 1.00 41.02 O ATOM 398 CB VAL A 26 8.089 19.468 24.756 1.00 62.32 C ATOM 399 CG1 VAL A 26 8.847 20.769 24.542 1.00 33.43 C ATOM 400 CG2 VAL A 26 8.304 18.518 23.586 1.00 3.42 C ATOM 0 H VAL A 26 7.287 17.215 25.471 1.00 30.23 H new ATOM 0 HA VAL A 26 9.601 18.680 26.077 1.00 2.20 H new ATOM 0 HB VAL A 26 7.026 19.701 24.816 1.00 62.32 H new ATOM 0 HG11 VAL A 26 8.530 21.225 23.604 1.00 33.43 H new ATOM 0 HG12 VAL A 26 8.638 21.452 25.366 1.00 33.43 H new ATOM 0 HG13 VAL A 26 9.917 20.564 24.503 1.00 33.43 H new ATOM 0 HG21 VAL A 26 7.996 19.005 22.661 1.00 3.42 H new ATOM 0 HG22 VAL A 26 9.359 18.252 23.522 1.00 3.42 H new ATOM 0 HG23 VAL A 26 7.711 17.616 23.736 1.00 3.42 H new ATOM 410 N GLN A 27 6.805 19.784 27.483 1.00 5.13 N ATOM 411 CA GLN A 27 6.284 20.608 28.568 1.00 42.15 C ATOM 412 C GLN A 27 6.827 20.142 29.915 1.00 51.04 C ATOM 413 O GLN A 27 7.037 20.946 30.821 1.00 25.23 O ATOM 414 CB GLN A 27 4.755 20.566 28.579 1.00 64.03 C ATOM 415 CG GLN A 27 4.131 21.417 29.673 1.00 63.02 C ATOM 416 CD GLN A 27 3.281 20.606 30.631 1.00 44.14 C ATOM 417 OE1 GLN A 27 2.072 20.463 30.438 1.00 73.34 O ATOM 418 NE2 GLN A 27 3.908 20.068 31.670 1.00 13.22 N ATOM 0 H GLN A 27 6.091 19.295 26.944 1.00 5.13 H new ATOM 0 HA GLN A 27 6.611 21.634 28.401 1.00 42.15 H new ATOM 0 HB2 GLN A 27 4.384 20.903 27.611 1.00 64.03 H new ATOM 0 HB3 GLN A 27 4.429 19.533 28.703 1.00 64.03 H new ATOM 0 HG2 GLN A 27 4.920 21.920 30.231 1.00 63.02 H new ATOM 0 HG3 GLN A 27 3.517 22.194 29.218 1.00 63.02 H new ATOM 0 HE21 GLN A 27 4.911 20.212 31.791 1.00 13.22 H new ATOM 0 HE22 GLN A 27 3.387 19.511 32.347 1.00 13.22 H new ATOM 427 N GLN A 28 7.052 18.838 30.037 1.00 0.33 N ATOM 428 CA GLN A 28 7.570 18.265 31.274 1.00 71.31 C ATOM 429 C GLN A 28 9.061 18.549 31.423 1.00 25.24 C ATOM 430 O GLN A 28 9.570 18.677 32.537 1.00 62.43 O ATOM 431 CB GLN A 28 7.321 16.756 31.305 1.00 1.43 C ATOM 432 CG GLN A 28 6.071 16.362 32.075 1.00 12.43 C ATOM 433 CD GLN A 28 6.387 15.663 33.383 1.00 61.11 C ATOM 434 OE1 GLN A 28 6.645 16.309 34.399 1.00 35.23 O ATOM 435 NE2 GLN A 28 6.368 14.335 33.365 1.00 62.45 N ATOM 0 H GLN A 28 6.884 18.159 29.295 1.00 0.33 H new ATOM 0 HA GLN A 28 7.045 18.730 32.108 1.00 71.31 H new ATOM 0 HB2 GLN A 28 7.239 16.389 30.282 1.00 1.43 H new ATOM 0 HB3 GLN A 28 8.184 16.263 31.752 1.00 1.43 H new ATOM 0 HG2 GLN A 28 5.478 17.254 32.278 1.00 12.43 H new ATOM 0 HG3 GLN A 28 5.459 15.706 31.456 1.00 12.43 H new ATOM 0 HE21 GLN A 28 6.149 13.840 32.501 1.00 62.45 H new ATOM 0 HE22 GLN A 28 6.572 13.810 34.216 1.00 62.45 H new ATOM 444 N SER A 29 9.756 18.648 30.294 1.00 61.23 N ATOM 445 CA SER A 29 11.189 18.913 30.300 1.00 72.32 C ATOM 446 C SER A 29 11.515 20.119 31.174 1.00 21.05 C ATOM 447 O SER A 29 12.357 20.041 32.070 1.00 45.10 O ATOM 448 CB SER A 29 11.691 19.152 28.874 1.00 42.13 C ATOM 449 OG SER A 29 13.104 19.069 28.809 1.00 32.22 O ATOM 0 H SER A 29 9.349 18.549 29.364 1.00 61.23 H new ATOM 0 HA SER A 29 11.693 18.040 30.714 1.00 72.32 H new ATOM 0 HB2 SER A 29 11.249 18.416 28.202 1.00 42.13 H new ATOM 0 HB3 SER A 29 11.365 20.134 28.530 1.00 42.13 H new ATOM 0 HG SER A 29 13.486 19.306 29.680 1.00 32.22 H new ATOM 455 N CYS A 30 10.844 21.234 30.909 1.00 63.54 N ATOM 456 CA CYS A 30 11.061 22.459 31.670 1.00 33.11 C ATOM 457 C CYS A 30 10.787 22.233 33.153 1.00 52.31 C ATOM 458 O CYS A 30 11.332 22.929 34.008 1.00 44.53 O ATOM 459 CB CYS A 30 10.168 23.580 31.137 1.00 13.34 C ATOM 460 SG CYS A 30 8.458 23.500 31.719 1.00 72.02 S ATOM 0 H CYS A 30 10.144 21.315 30.172 1.00 63.54 H new ATOM 0 HA CYS A 30 12.105 22.751 31.553 1.00 33.11 H new ATOM 0 HB2 CYS A 30 10.595 24.540 31.428 1.00 13.34 H new ATOM 0 HB3 CYS A 30 10.172 23.546 30.048 1.00 13.34 H new ATOM 0 HG CYS A 30 7.853 22.499 31.152 1.00 72.02 H new ATOM 466 N ASN A 31 9.936 21.255 33.449 1.00 0.13 N ATOM 467 CA ASN A 31 9.587 20.939 34.830 1.00 74.30 C ATOM 468 C ASN A 31 10.733 20.213 35.528 1.00 54.23 C ATOM 469 O ASN A 31 10.811 20.191 36.756 1.00 35.44 O ATOM 470 CB ASN A 31 8.322 20.079 34.873 1.00 21.24 C ATOM 471 CG ASN A 31 7.266 20.652 35.799 1.00 1.32 C ATOM 472 OD1 ASN A 31 7.581 21.362 36.754 1.00 52.24 O ATOM 473 ND2 ASN A 31 6.005 20.343 35.521 1.00 21.34 N ATOM 0 H ASN A 31 9.476 20.669 32.752 1.00 0.13 H new ATOM 0 HA ASN A 31 9.400 21.876 35.356 1.00 74.30 H new ATOM 0 HB2 ASN A 31 7.911 19.991 33.867 1.00 21.24 H new ATOM 0 HB3 ASN A 31 8.581 19.072 35.200 1.00 21.24 H new ATOM 0 HD21 ASN A 31 5.251 20.698 36.110 1.00 21.34 H new ATOM 0 HD22 ASN A 31 5.790 19.751 34.719 1.00 21.34 H new ATOM 480 N TYR A 32 11.618 19.618 34.736 1.00 15.42 N ATOM 481 CA TYR A 32 12.760 18.888 35.278 1.00 24.22 C ATOM 482 C TYR A 32 13.967 19.808 35.439 1.00 62.14 C ATOM 483 O TYR A 32 15.084 19.349 35.675 1.00 10.24 O ATOM 484 CB TYR A 32 13.118 17.713 34.368 1.00 52.42 C ATOM 485 CG TYR A 32 12.740 16.366 34.942 1.00 2.32 C ATOM 486 CD1 TYR A 32 11.406 16.002 35.090 1.00 71.24 C ATOM 487 CD2 TYR A 32 13.714 15.458 35.338 1.00 70.21 C ATOM 488 CE1 TYR A 32 11.056 14.773 35.614 1.00 44.40 C ATOM 489 CE2 TYR A 32 13.373 14.226 35.862 1.00 4.12 C ATOM 490 CZ TYR A 32 12.042 13.888 35.999 1.00 61.51 C ATOM 491 OH TYR A 32 11.698 12.663 36.522 1.00 30.22 O ATOM 0 H TYR A 32 11.567 19.626 33.717 1.00 15.42 H new ATOM 0 HA TYR A 32 12.483 18.506 36.261 1.00 24.22 H new ATOM 0 HB2 TYR A 32 12.619 17.843 33.408 1.00 52.42 H new ATOM 0 HB3 TYR A 32 14.191 17.728 34.174 1.00 52.42 H new ATOM 0 HD1 TYR A 32 10.631 16.692 34.790 1.00 71.24 H new ATOM 0 HD2 TYR A 32 14.757 15.720 35.234 1.00 70.21 H new ATOM 0 HE1 TYR A 32 10.015 14.506 35.722 1.00 44.40 H new ATOM 0 HE2 TYR A 32 14.144 13.531 36.163 1.00 4.12 H new ATOM 0 HH TYR A 32 10.844 12.372 36.140 1.00 30.22 H new ATOM 501 N LYS A 33 13.732 21.110 35.311 1.00 75.13 N ATOM 502 CA LYS A 33 14.798 22.095 35.444 1.00 21.42 C ATOM 503 C LYS A 33 15.846 21.915 34.351 1.00 71.41 C ATOM 504 O LYS A 33 16.994 22.330 34.505 1.00 11.50 O ATOM 505 CB LYS A 33 15.457 21.983 36.820 1.00 1.32 C ATOM 506 CG LYS A 33 14.462 21.877 37.963 1.00 13.04 C ATOM 507 CD LYS A 33 15.089 22.280 39.287 1.00 34.25 C ATOM 508 CE LYS A 33 14.635 23.666 39.720 1.00 74.34 C ATOM 509 NZ LYS A 33 15.634 24.323 40.609 1.00 63.12 N ATOM 0 H LYS A 33 12.813 21.507 35.115 1.00 75.13 H new ATOM 0 HA LYS A 33 14.356 23.086 35.339 1.00 21.42 H new ATOM 0 HB2 LYS A 33 16.107 21.108 36.832 1.00 1.32 H new ATOM 0 HB3 LYS A 33 16.092 22.854 36.982 1.00 1.32 H new ATOM 0 HG2 LYS A 33 13.602 22.514 37.758 1.00 13.04 H new ATOM 0 HG3 LYS A 33 14.092 20.854 38.031 1.00 13.04 H new ATOM 0 HD2 LYS A 33 14.822 21.553 40.054 1.00 34.25 H new ATOM 0 HD3 LYS A 33 16.175 22.264 39.196 1.00 34.25 H new ATOM 0 HE2 LYS A 33 14.469 24.286 38.839 1.00 74.34 H new ATOM 0 HE3 LYS A 33 13.680 23.590 40.240 1.00 74.34 H new ATOM 0 HZ1 LYS A 33 15.289 25.265 40.883 1.00 63.12 H new ATOM 0 HZ2 LYS A 33 15.774 23.744 41.462 1.00 63.12 H new ATOM 0 HZ3 LYS A 33 16.538 24.419 40.104 1.00 63.12 H new ATOM 523 N GLN A 34 15.442 21.294 33.246 1.00 15.21 N ATOM 524 CA GLN A 34 16.348 21.060 32.128 1.00 40.30 C ATOM 525 C GLN A 34 15.577 20.942 30.818 1.00 3.42 C ATOM 526 O GLN A 34 14.564 20.244 30.743 1.00 63.43 O ATOM 527 CB GLN A 34 17.169 19.791 32.366 1.00 64.21 C ATOM 528 CG GLN A 34 16.321 18.562 32.650 1.00 14.32 C ATOM 529 CD GLN A 34 17.115 17.273 32.569 1.00 2.54 C ATOM 530 OE1 GLN A 34 18.335 17.292 32.410 1.00 62.51 O ATOM 531 NE2 GLN A 34 16.425 16.144 32.682 1.00 65.25 N ATOM 0 H GLN A 34 14.495 20.945 33.102 1.00 15.21 H new ATOM 0 HA GLN A 34 17.023 21.913 32.056 1.00 40.30 H new ATOM 0 HB2 GLN A 34 17.789 19.600 31.490 1.00 64.21 H new ATOM 0 HB3 GLN A 34 17.845 19.958 33.205 1.00 64.21 H new ATOM 0 HG2 GLN A 34 15.880 18.651 33.643 1.00 14.32 H new ATOM 0 HG3 GLN A 34 15.497 18.522 31.938 1.00 14.32 H new ATOM 0 HE21 GLN A 34 15.414 16.175 32.813 1.00 65.25 H new ATOM 0 HE22 GLN A 34 16.906 15.246 32.638 1.00 65.25 H new ATOM 540 N LEU A 35 16.060 21.628 29.788 1.00 5.03 N ATOM 541 CA LEU A 35 15.415 21.601 28.480 1.00 51.52 C ATOM 542 C LEU A 35 16.416 21.913 27.373 1.00 15.20 C ATOM 543 O LEU A 35 17.558 22.287 27.642 1.00 31.13 O ATOM 544 CB LEU A 35 14.261 22.604 28.437 1.00 32.23 C ATOM 545 CG LEU A 35 14.506 23.940 29.142 1.00 14.40 C ATOM 546 CD1 LEU A 35 14.365 23.782 30.648 1.00 51.54 C ATOM 547 CD2 LEU A 35 15.883 24.485 28.788 1.00 44.54 C ATOM 0 H LEU A 35 16.896 22.210 29.833 1.00 5.03 H new ATOM 0 HA LEU A 35 15.022 20.597 28.317 1.00 51.52 H new ATOM 0 HB2 LEU A 35 14.020 22.806 27.393 1.00 32.23 H new ATOM 0 HB3 LEU A 35 13.383 22.137 28.882 1.00 32.23 H new ATOM 0 HG LEU A 35 13.756 24.653 28.800 1.00 14.40 H new ATOM 0 HD11 LEU A 35 14.543 24.742 31.133 1.00 51.54 H new ATOM 0 HD12 LEU A 35 13.359 23.436 30.885 1.00 51.54 H new ATOM 0 HD13 LEU A 35 15.093 23.054 31.007 1.00 51.54 H new ATOM 0 HD21 LEU A 35 16.040 25.435 29.298 1.00 44.54 H new ATOM 0 HD22 LEU A 35 16.647 23.774 29.102 1.00 44.54 H new ATOM 0 HD23 LEU A 35 15.948 24.636 27.711 1.00 44.54 H new ATOM 559 N ARG A 36 15.981 21.758 26.127 1.00 42.43 N ATOM 560 CA ARG A 36 16.839 22.024 24.979 1.00 54.44 C ATOM 561 C ARG A 36 16.007 22.251 23.720 1.00 53.00 C ATOM 562 O ARG A 36 15.286 21.360 23.269 1.00 2.54 O ATOM 563 CB ARG A 36 17.809 20.860 24.759 1.00 3.13 C ATOM 564 CG ARG A 36 19.228 21.302 24.446 1.00 21.21 C ATOM 565 CD ARG A 36 19.909 21.898 25.669 1.00 70.34 C ATOM 566 NE ARG A 36 21.322 22.177 25.427 1.00 74.40 N ATOM 567 CZ ARG A 36 22.190 22.464 26.390 1.00 12.53 C ATOM 568 NH1 ARG A 36 21.791 22.509 27.655 1.00 72.52 N ATOM 569 NH2 ARG A 36 23.460 22.706 26.091 1.00 62.21 N ATOM 0 H ARG A 36 15.039 21.449 25.887 1.00 42.43 H new ATOM 0 HA ARG A 36 17.410 22.929 25.186 1.00 54.44 H new ATOM 0 HB2 ARG A 36 17.821 20.234 25.651 1.00 3.13 H new ATOM 0 HB3 ARG A 36 17.441 20.241 23.941 1.00 3.13 H new ATOM 0 HG2 ARG A 36 19.805 20.450 24.086 1.00 21.21 H new ATOM 0 HG3 ARG A 36 19.212 22.038 23.642 1.00 21.21 H new ATOM 0 HD2 ARG A 36 19.401 22.819 25.954 1.00 70.34 H new ATOM 0 HD3 ARG A 36 19.814 21.209 26.508 1.00 70.34 H new ATOM 0 HE ARG A 36 21.661 22.150 24.465 1.00 74.40 H new ATOM 0 HH11 ARG A 36 20.816 22.323 27.889 1.00 72.52 H new ATOM 0 HH12 ARG A 36 22.460 22.730 28.393 1.00 72.52 H new ATOM 0 HH21 ARG A 36 23.771 22.672 25.120 1.00 62.21 H new ATOM 0 HH22 ARG A 36 24.125 22.926 26.832 1.00 62.21 H new ATOM 583 N LYS A 37 16.112 23.449 23.156 1.00 2.12 N ATOM 584 CA LYS A 37 15.372 23.795 21.949 1.00 64.34 C ATOM 585 C LYS A 37 16.214 24.669 21.025 1.00 52.04 C ATOM 586 O LYS A 37 16.081 25.891 21.017 1.00 11.25 O ATOM 587 CB LYS A 37 14.074 24.521 22.311 1.00 22.44 C ATOM 588 CG LYS A 37 14.245 25.560 23.407 1.00 42.05 C ATOM 589 CD LYS A 37 13.039 26.480 23.495 1.00 62.20 C ATOM 590 CE LYS A 37 13.396 27.807 24.149 1.00 73.33 C ATOM 591 NZ LYS A 37 12.850 27.908 25.530 1.00 30.44 N ATOM 0 H LYS A 37 16.704 24.198 23.516 1.00 2.12 H new ATOM 0 HA LYS A 37 15.130 22.870 21.425 1.00 64.34 H new ATOM 0 HB2 LYS A 37 13.678 25.007 21.419 1.00 22.44 H new ATOM 0 HB3 LYS A 37 13.333 23.787 22.629 1.00 22.44 H new ATOM 0 HG2 LYS A 37 14.393 25.060 24.364 1.00 42.05 H new ATOM 0 HG3 LYS A 37 15.141 26.150 23.214 1.00 42.05 H new ATOM 0 HD2 LYS A 37 12.644 26.661 22.495 1.00 62.20 H new ATOM 0 HD3 LYS A 37 12.249 25.992 24.066 1.00 62.20 H new ATOM 0 HE2 LYS A 37 14.480 27.918 24.178 1.00 73.33 H new ATOM 0 HE3 LYS A 37 13.008 28.626 23.544 1.00 73.33 H new ATOM 0 HZ1 LYS A 37 12.872 28.900 25.840 1.00 30.44 H new ATOM 0 HZ2 LYS A 37 11.869 27.563 25.541 1.00 30.44 H new ATOM 0 HZ3 LYS A 37 13.427 27.331 26.175 1.00 30.44 H new ATOM 605 N GLY A 38 17.082 24.031 20.244 1.00 50.32 N ATOM 606 CA GLY A 38 17.933 24.766 19.325 1.00 4.23 C ATOM 607 C GLY A 38 18.726 23.852 18.413 1.00 65.44 C ATOM 608 O GLY A 38 19.167 22.781 18.827 1.00 43.42 O ATOM 0 H GLY A 38 17.211 23.019 20.231 1.00 50.32 H new ATOM 0 HA2 GLY A 38 17.319 25.433 18.721 1.00 4.23 H new ATOM 0 HA3 GLY A 38 18.620 25.393 19.893 1.00 4.23 H new ATOM 612 N ALA A 39 18.906 24.276 17.166 1.00 52.23 N ATOM 613 CA ALA A 39 19.651 23.488 16.192 1.00 33.33 C ATOM 614 C ALA A 39 21.154 23.621 16.414 1.00 14.22 C ATOM 615 O ALA A 39 21.889 22.635 16.356 1.00 71.03 O ATOM 616 CB ALA A 39 19.285 23.914 14.777 1.00 34.14 C ATOM 0 H ALA A 39 18.546 25.160 16.807 1.00 52.23 H new ATOM 0 HA ALA A 39 19.381 22.440 16.326 1.00 33.33 H new ATOM 0 HB1 ALA A 39 19.849 23.317 14.060 1.00 34.14 H new ATOM 0 HB2 ALA A 39 18.218 23.762 14.616 1.00 34.14 H new ATOM 0 HB3 ALA A 39 19.526 24.968 14.641 1.00 34.14 H new ATOM 622 N ASN A 40 21.606 24.844 16.668 1.00 3.43 N ATOM 623 CA ASN A 40 23.022 25.105 16.898 1.00 63.50 C ATOM 624 C ASN A 40 23.499 24.425 18.178 1.00 70.40 C ATOM 625 O ASN A 40 24.661 24.032 18.286 1.00 11.03 O ATOM 626 CB ASN A 40 23.278 26.611 16.982 1.00 63.10 C ATOM 627 CG ASN A 40 22.582 27.379 15.874 1.00 45.43 C ATOM 628 OD1 ASN A 40 22.246 26.816 14.831 1.00 31.43 O ATOM 629 ND2 ASN A 40 22.362 28.669 16.095 1.00 4.53 N ATOM 0 H ASN A 40 21.011 25.671 16.720 1.00 3.43 H new ATOM 0 HA ASN A 40 23.583 24.695 16.058 1.00 63.50 H new ATOM 0 HB2 ASN A 40 22.935 26.982 17.948 1.00 63.10 H new ATOM 0 HB3 ASN A 40 24.351 26.798 16.931 1.00 63.10 H new ATOM 0 HD21 ASN A 40 21.897 29.236 15.386 1.00 4.53 H new ATOM 0 HD22 ASN A 40 22.658 29.093 16.974 1.00 4.53 H new ATOM 636 N GLU A 41 22.596 24.290 19.143 1.00 65.02 N ATOM 637 CA GLU A 41 22.925 23.658 20.415 1.00 61.35 C ATOM 638 C GLU A 41 23.033 22.144 20.257 1.00 51.31 C ATOM 639 O GLU A 41 23.758 21.482 21.001 1.00 71.32 O ATOM 640 CB GLU A 41 21.869 23.999 21.467 1.00 14.44 C ATOM 641 CG GLU A 41 22.078 25.354 22.123 1.00 52.01 C ATOM 642 CD GLU A 41 20.789 25.945 22.661 1.00 34.22 C ATOM 643 OE1 GLU A 41 19.776 25.924 21.933 1.00 62.13 O ATOM 644 OE2 GLU A 41 20.796 26.429 23.813 1.00 23.42 O ATOM 0 H GLU A 41 21.630 24.610 19.068 1.00 65.02 H new ATOM 0 HA GLU A 41 23.891 24.041 20.744 1.00 61.35 H new ATOM 0 HB2 GLU A 41 20.884 23.979 21.001 1.00 14.44 H new ATOM 0 HB3 GLU A 41 21.873 23.228 22.237 1.00 14.44 H new ATOM 0 HG2 GLU A 41 22.795 25.253 22.938 1.00 52.01 H new ATOM 0 HG3 GLU A 41 22.514 26.041 21.398 1.00 52.01 H new ATOM 651 N ALA A 42 22.307 21.602 19.285 1.00 2.25 N ATOM 652 CA ALA A 42 22.321 20.167 19.030 1.00 21.22 C ATOM 653 C ALA A 42 23.748 19.651 18.881 1.00 14.42 C ATOM 654 O ALA A 42 24.089 18.581 19.389 1.00 2.25 O ATOM 655 CB ALA A 42 21.510 19.845 17.784 1.00 43.12 C ATOM 0 H ALA A 42 21.702 22.135 18.661 1.00 2.25 H new ATOM 0 HA ALA A 42 21.868 19.666 19.885 1.00 21.22 H new ATOM 0 HB1 ALA A 42 21.529 18.770 17.605 1.00 43.12 H new ATOM 0 HB2 ALA A 42 20.480 20.171 17.926 1.00 43.12 H new ATOM 0 HB3 ALA A 42 21.939 20.363 16.926 1.00 43.12 H new ATOM 661 N THR A 43 24.581 20.415 18.182 1.00 2.13 N ATOM 662 CA THR A 43 25.971 20.034 17.966 1.00 4.22 C ATOM 663 C THR A 43 26.730 19.955 19.285 1.00 51.41 C ATOM 664 O THR A 43 27.655 19.155 19.434 1.00 23.11 O ATOM 665 CB THR A 43 26.687 21.028 17.033 1.00 13.41 C ATOM 666 OG1 THR A 43 26.776 22.312 17.660 1.00 74.21 O ATOM 667 CG2 THR A 43 25.949 21.154 15.709 1.00 31.42 C ATOM 0 H THR A 43 24.317 21.303 17.755 1.00 2.13 H new ATOM 0 HA THR A 43 25.960 19.050 17.497 1.00 4.22 H new ATOM 0 HB THR A 43 27.691 20.650 16.837 1.00 13.41 H new ATOM 0 HG1 THR A 43 25.877 22.685 17.770 1.00 74.21 H new ATOM 0 HG21 THR A 43 26.473 21.861 15.066 1.00 31.42 H new ATOM 0 HG22 THR A 43 25.909 20.180 15.221 1.00 31.42 H new ATOM 0 HG23 THR A 43 24.935 21.511 15.890 1.00 31.42 H new ATOM 675 N LYS A 44 26.335 20.788 20.241 1.00 11.22 N ATOM 676 CA LYS A 44 26.977 20.811 21.550 1.00 20.24 C ATOM 677 C LYS A 44 26.457 19.680 22.432 1.00 72.42 C ATOM 678 O LYS A 44 27.236 18.947 23.043 1.00 14.10 O ATOM 679 CB LYS A 44 26.735 22.158 22.236 1.00 14.31 C ATOM 680 CG LYS A 44 26.997 22.134 23.732 1.00 2.44 C ATOM 681 CD LYS A 44 27.712 23.394 24.193 1.00 54.15 C ATOM 682 CE LYS A 44 28.649 23.108 25.357 1.00 65.20 C ATOM 683 NZ LYS A 44 29.696 24.158 25.497 1.00 53.22 N ATOM 0 H LYS A 44 25.572 21.457 20.134 1.00 11.22 H new ATOM 0 HA LYS A 44 28.048 20.671 21.403 1.00 20.24 H new ATOM 0 HB2 LYS A 44 27.375 22.911 21.776 1.00 14.31 H new ATOM 0 HB3 LYS A 44 25.704 22.465 22.061 1.00 14.31 H new ATOM 0 HG2 LYS A 44 26.052 22.034 24.266 1.00 2.44 H new ATOM 0 HG3 LYS A 44 27.599 21.260 23.983 1.00 2.44 H new ATOM 0 HD2 LYS A 44 28.279 23.816 23.363 1.00 54.15 H new ATOM 0 HD3 LYS A 44 26.978 24.142 24.491 1.00 54.15 H new ATOM 0 HE2 LYS A 44 28.073 23.044 26.280 1.00 65.20 H new ATOM 0 HE3 LYS A 44 29.125 22.138 25.211 1.00 65.20 H new ATOM 0 HZ1 LYS A 44 30.314 23.927 26.301 1.00 53.22 H new ATOM 0 HZ2 LYS A 44 30.263 24.202 24.626 1.00 53.22 H new ATOM 0 HZ3 LYS A 44 29.243 25.080 25.662 1.00 53.22 H new ATOM 697 N THR A 45 25.137 19.541 22.491 1.00 52.30 N ATOM 698 CA THR A 45 24.513 18.498 23.298 1.00 74.34 C ATOM 699 C THR A 45 25.053 17.121 22.928 1.00 21.30 C ATOM 700 O THR A 45 25.346 16.303 23.801 1.00 40.15 O ATOM 701 CB THR A 45 22.982 18.498 23.130 1.00 33.11 C ATOM 702 OG1 THR A 45 22.641 18.582 21.742 1.00 53.01 O ATOM 703 CG2 THR A 45 22.356 19.663 23.882 1.00 53.54 C ATOM 0 H THR A 45 24.478 20.137 21.990 1.00 52.30 H new ATOM 0 HA THR A 45 24.757 18.714 24.338 1.00 74.34 H new ATOM 0 HB THR A 45 22.593 17.567 23.543 1.00 33.11 H new ATOM 0 HG1 THR A 45 23.459 18.565 21.203 1.00 53.01 H new ATOM 0 HG21 THR A 45 21.274 19.643 23.749 1.00 53.54 H new ATOM 0 HG22 THR A 45 22.593 19.581 24.943 1.00 53.54 H new ATOM 0 HG23 THR A 45 22.752 20.601 23.494 1.00 53.54 H new ATOM 711 N LEU A 46 25.185 16.871 21.629 1.00 43.30 N ATOM 712 CA LEU A 46 25.690 15.592 21.144 1.00 31.25 C ATOM 713 C LEU A 46 27.081 15.308 21.704 1.00 4.10 C ATOM 714 O LEU A 46 27.406 14.169 22.036 1.00 75.25 O ATOM 715 CB LEU A 46 25.734 15.585 19.615 1.00 22.31 C ATOM 716 CG LEU A 46 25.274 14.295 18.936 1.00 63.13 C ATOM 717 CD1 LEU A 46 25.264 14.461 17.424 1.00 23.13 C ATOM 718 CD2 LEU A 46 26.167 13.131 19.340 1.00 1.24 C ATOM 0 H LEU A 46 24.949 17.537 20.894 1.00 43.30 H new ATOM 0 HA LEU A 46 25.013 14.809 21.486 1.00 31.25 H new ATOM 0 HB2 LEU A 46 25.115 16.405 19.250 1.00 22.31 H new ATOM 0 HB3 LEU A 46 26.757 15.793 19.300 1.00 22.31 H new ATOM 0 HG LEU A 46 24.257 14.078 19.264 1.00 63.13 H new ATOM 0 HD11 LEU A 46 24.934 13.532 16.958 1.00 23.13 H new ATOM 0 HD12 LEU A 46 24.582 15.266 17.151 1.00 23.13 H new ATOM 0 HD13 LEU A 46 26.269 14.703 17.078 1.00 23.13 H new ATOM 0 HD21 LEU A 46 25.824 12.221 18.847 1.00 1.24 H new ATOM 0 HD22 LEU A 46 27.194 13.340 19.042 1.00 1.24 H new ATOM 0 HD23 LEU A 46 26.123 12.997 20.421 1.00 1.24 H new ATOM 730 N ASN A 47 27.895 16.354 21.809 1.00 53.43 N ATOM 731 CA ASN A 47 29.250 16.216 22.332 1.00 62.32 C ATOM 732 C ASN A 47 29.228 15.914 23.827 1.00 10.22 C ATOM 733 O ASN A 47 30.028 15.119 24.322 1.00 42.13 O ATOM 734 CB ASN A 47 30.051 17.493 22.070 1.00 62.12 C ATOM 735 CG ASN A 47 31.076 17.316 20.966 1.00 72.24 C ATOM 736 OD1 ASN A 47 31.037 18.011 19.950 1.00 11.45 O ATOM 737 ND2 ASN A 47 31.999 16.381 21.160 1.00 32.31 N ATOM 0 H ASN A 47 27.641 17.304 21.540 1.00 53.43 H new ATOM 0 HA ASN A 47 29.729 15.382 21.818 1.00 62.32 H new ATOM 0 HB2 ASN A 47 29.368 18.299 21.802 1.00 62.12 H new ATOM 0 HB3 ASN A 47 30.557 17.796 22.987 1.00 62.12 H new ATOM 0 HD21 ASN A 47 32.714 16.215 20.452 1.00 32.31 H new ATOM 0 HD22 ASN A 47 31.993 15.829 22.017 1.00 32.31 H new ATOM 744 N ARG A 48 28.308 16.554 24.541 1.00 0.31 N ATOM 745 CA ARG A 48 28.182 16.355 25.980 1.00 72.22 C ATOM 746 C ARG A 48 27.766 14.922 26.296 1.00 1.51 C ATOM 747 O ARG A 48 28.023 14.415 27.387 1.00 31.45 O ATOM 748 CB ARG A 48 27.164 17.335 26.565 1.00 51.42 C ATOM 749 CG ARG A 48 27.782 18.632 27.063 1.00 74.35 C ATOM 750 CD ARG A 48 26.745 19.526 27.723 1.00 41.12 C ATOM 751 NE ARG A 48 27.024 19.734 29.141 1.00 3.51 N ATOM 752 CZ ARG A 48 27.987 20.529 29.592 1.00 75.24 C ATOM 753 NH1 ARG A 48 28.760 21.188 28.739 1.00 1.11 N ATOM 754 NH2 ARG A 48 28.180 20.666 30.898 1.00 41.32 N ATOM 0 H ARG A 48 27.639 17.215 24.147 1.00 0.31 H new ATOM 0 HA ARG A 48 29.156 16.540 26.434 1.00 72.22 H new ATOM 0 HB2 ARG A 48 26.417 17.567 25.805 1.00 51.42 H new ATOM 0 HB3 ARG A 48 26.640 16.852 27.390 1.00 51.42 H new ATOM 0 HG2 ARG A 48 28.577 18.408 27.775 1.00 74.35 H new ATOM 0 HG3 ARG A 48 28.242 19.161 26.228 1.00 74.35 H new ATOM 0 HD2 ARG A 48 26.720 20.489 27.213 1.00 41.12 H new ATOM 0 HD3 ARG A 48 25.757 19.080 27.610 1.00 41.12 H new ATOM 0 HE ARG A 48 26.447 19.241 29.823 1.00 3.51 H new ATOM 0 HH11 ARG A 48 28.615 21.084 27.735 1.00 1.11 H new ATOM 0 HH12 ARG A 48 29.499 21.798 29.087 1.00 1.11 H new ATOM 0 HH21 ARG A 48 27.588 20.160 31.557 1.00 41.32 H new ATOM 0 HH22 ARG A 48 28.920 21.277 31.243 1.00 41.32 H new ATOM 768 N GLY A 49 27.117 14.273 25.332 1.00 11.14 N ATOM 769 CA GLY A 49 26.674 12.906 25.528 1.00 40.54 C ATOM 770 C GLY A 49 25.420 12.817 26.375 1.00 1.02 C ATOM 771 O GLY A 49 25.321 11.971 27.264 1.00 73.22 O ATOM 0 H GLY A 49 26.891 14.670 24.420 1.00 11.14 H new ATOM 0 HA2 GLY A 49 26.486 12.446 24.558 1.00 40.54 H new ATOM 0 HA3 GLY A 49 27.471 12.334 26.003 1.00 40.54 H new ATOM 775 N ILE A 50 24.460 13.695 26.100 1.00 11.21 N ATOM 776 CA ILE A 50 23.207 13.713 26.844 1.00 3.53 C ATOM 777 C ILE A 50 22.010 13.784 25.903 1.00 53.41 C ATOM 778 O ILE A 50 20.916 14.184 26.301 1.00 35.14 O ATOM 779 CB ILE A 50 23.149 14.902 27.821 1.00 54.00 C ATOM 780 CG1 ILE A 50 23.838 16.124 27.212 1.00 14.04 C ATOM 781 CG2 ILE A 50 23.793 14.529 29.148 1.00 33.05 C ATOM 782 CD1 ILE A 50 23.222 16.579 25.909 1.00 23.11 C ATOM 0 H ILE A 50 24.527 14.402 25.368 1.00 11.21 H new ATOM 0 HA ILE A 50 23.165 12.784 27.413 1.00 3.53 H new ATOM 0 HB ILE A 50 22.104 15.152 28.005 1.00 54.00 H new ATOM 0 HG12 ILE A 50 23.802 16.945 27.928 1.00 14.04 H new ATOM 0 HG13 ILE A 50 24.890 15.892 27.046 1.00 14.04 H new ATOM 0 HG21 ILE A 50 23.744 15.380 29.828 1.00 33.05 H new ATOM 0 HG22 ILE A 50 23.262 13.684 29.585 1.00 33.05 H new ATOM 0 HG23 ILE A 50 24.835 14.256 28.983 1.00 33.05 H new ATOM 0 HD11 ILE A 50 23.762 17.449 25.536 1.00 23.11 H new ATOM 0 HD12 ILE A 50 23.282 15.773 25.177 1.00 23.11 H new ATOM 0 HD13 ILE A 50 22.177 16.843 26.073 1.00 23.11 H new ATOM 794 N SER A 51 22.224 13.391 24.651 1.00 11.34 N ATOM 795 CA SER A 51 21.163 13.413 23.651 1.00 12.53 C ATOM 796 C SER A 51 20.408 12.087 23.632 1.00 51.42 C ATOM 797 O SER A 51 20.853 11.116 23.023 1.00 52.14 O ATOM 798 CB SER A 51 21.745 13.701 22.266 1.00 43.52 C ATOM 799 OG SER A 51 20.868 14.512 21.504 1.00 44.24 O ATOM 0 H SER A 51 23.122 13.054 24.305 1.00 11.34 H new ATOM 0 HA SER A 51 20.464 14.206 23.916 1.00 12.53 H new ATOM 0 HB2 SER A 51 22.709 14.199 22.369 1.00 43.52 H new ATOM 0 HB3 SER A 51 21.926 12.763 21.742 1.00 43.52 H new ATOM 0 HG SER A 51 21.263 14.684 20.624 1.00 44.24 H new ATOM 805 N GLU A 52 19.262 12.057 24.305 1.00 12.43 N ATOM 806 CA GLU A 52 18.445 10.850 24.367 1.00 3.41 C ATOM 807 C GLU A 52 17.182 11.004 23.523 1.00 71.40 C ATOM 808 O GLU A 52 16.629 10.022 23.028 1.00 1.43 O ATOM 809 CB GLU A 52 18.067 10.536 25.816 1.00 25.33 C ATOM 810 CG GLU A 52 19.136 9.766 26.571 1.00 35.34 C ATOM 811 CD GLU A 52 18.636 8.435 27.096 1.00 2.33 C ATOM 812 OE1 GLU A 52 17.445 8.353 27.464 1.00 63.01 O ATOM 813 OE2 GLU A 52 19.434 7.475 27.141 1.00 23.41 O ATOM 0 H GLU A 52 18.879 12.853 24.814 1.00 12.43 H new ATOM 0 HA GLU A 52 19.032 10.024 23.965 1.00 3.41 H new ATOM 0 HB2 GLU A 52 17.865 11.470 26.340 1.00 25.33 H new ATOM 0 HB3 GLU A 52 17.142 9.960 25.824 1.00 25.33 H new ATOM 0 HG2 GLU A 52 19.988 9.596 25.913 1.00 35.34 H new ATOM 0 HG3 GLU A 52 19.493 10.370 27.405 1.00 35.34 H new ATOM 820 N PHE A 53 16.733 12.244 23.362 1.00 31.54 N ATOM 821 CA PHE A 53 15.536 12.528 22.579 1.00 75.04 C ATOM 822 C PHE A 53 15.746 13.747 21.685 1.00 32.44 C ATOM 823 O PHE A 53 16.232 14.784 22.137 1.00 13.21 O ATOM 824 CB PHE A 53 14.340 12.760 23.504 1.00 64.03 C ATOM 825 CG PHE A 53 13.076 12.103 23.026 1.00 40.23 C ATOM 826 CD1 PHE A 53 12.573 12.374 21.764 1.00 64.22 C ATOM 827 CD2 PHE A 53 12.392 11.212 23.839 1.00 21.43 C ATOM 828 CE1 PHE A 53 11.410 11.771 21.323 1.00 62.11 C ATOM 829 CE2 PHE A 53 11.230 10.606 23.402 1.00 3.20 C ATOM 830 CZ PHE A 53 10.738 10.886 22.142 1.00 52.25 C ATOM 0 H PHE A 53 17.180 13.068 23.763 1.00 31.54 H new ATOM 0 HA PHE A 53 15.334 11.665 21.944 1.00 75.04 H new ATOM 0 HB2 PHE A 53 14.582 12.384 24.498 1.00 64.03 H new ATOM 0 HB3 PHE A 53 14.169 13.832 23.601 1.00 64.03 H new ATOM 0 HD1 PHE A 53 13.095 13.064 21.118 1.00 64.22 H new ATOM 0 HD2 PHE A 53 12.772 10.989 24.825 1.00 21.43 H new ATOM 0 HE1 PHE A 53 11.027 11.992 20.338 1.00 62.11 H new ATOM 0 HE2 PHE A 53 10.707 9.914 24.045 1.00 3.20 H new ATOM 0 HZ PHE A 53 9.830 10.414 21.798 1.00 52.25 H new ATOM 840 N ILE A 54 15.378 13.613 20.416 1.00 32.24 N ATOM 841 CA ILE A 54 15.526 14.703 19.459 1.00 22.13 C ATOM 842 C ILE A 54 14.366 14.726 18.469 1.00 24.12 C ATOM 843 O ILE A 54 14.016 13.703 17.881 1.00 32.12 O ATOM 844 CB ILE A 54 16.849 14.592 18.680 1.00 33.20 C ATOM 845 CG1 ILE A 54 18.036 14.574 19.645 1.00 44.52 C ATOM 846 CG2 ILE A 54 16.980 15.742 17.692 1.00 14.55 C ATOM 847 CD1 ILE A 54 18.390 13.190 20.141 1.00 13.01 C ATOM 0 H ILE A 54 14.975 12.761 20.026 1.00 32.24 H new ATOM 0 HA ILE A 54 15.529 15.629 20.033 1.00 22.13 H new ATOM 0 HB ILE A 54 16.846 13.656 18.121 1.00 33.20 H new ATOM 0 HG12 ILE A 54 18.904 15.006 19.148 1.00 44.52 H new ATOM 0 HG13 ILE A 54 17.808 15.210 20.500 1.00 44.52 H new ATOM 0 HG21 ILE A 54 17.920 15.650 17.149 1.00 14.55 H new ATOM 0 HG22 ILE A 54 16.149 15.712 16.987 1.00 14.55 H new ATOM 0 HG23 ILE A 54 16.964 16.689 18.232 1.00 14.55 H new ATOM 0 HD11 ILE A 54 19.240 13.253 20.820 1.00 13.01 H new ATOM 0 HD12 ILE A 54 17.536 12.762 20.667 1.00 13.01 H new ATOM 0 HD13 ILE A 54 18.649 12.555 19.294 1.00 13.01 H new ATOM 859 N VAL A 55 13.773 15.902 18.290 1.00 65.41 N ATOM 860 CA VAL A 55 12.653 16.061 17.368 1.00 35.23 C ATOM 861 C VAL A 55 12.779 17.353 16.569 1.00 41.02 C ATOM 862 O VAL A 55 13.385 18.321 17.026 1.00 54.10 O ATOM 863 CB VAL A 55 11.306 16.061 18.116 1.00 74.24 C ATOM 864 CG1 VAL A 55 10.951 14.655 18.575 1.00 74.03 C ATOM 865 CG2 VAL A 55 11.353 17.020 19.295 1.00 3.13 C ATOM 0 H VAL A 55 14.049 16.758 18.771 1.00 65.41 H new ATOM 0 HA VAL A 55 12.681 15.211 16.686 1.00 35.23 H new ATOM 0 HB VAL A 55 10.529 16.401 17.431 1.00 74.24 H new ATOM 0 HG11 VAL A 55 9.997 14.674 19.101 1.00 74.03 H new ATOM 0 HG12 VAL A 55 10.874 13.998 17.709 1.00 74.03 H new ATOM 0 HG13 VAL A 55 11.727 14.284 19.244 1.00 74.03 H new ATOM 0 HG21 VAL A 55 10.394 17.008 19.812 1.00 3.13 H new ATOM 0 HG22 VAL A 55 12.140 16.712 19.983 1.00 3.13 H new ATOM 0 HG23 VAL A 55 11.559 18.028 18.936 1.00 3.13 H new ATOM 875 N MET A 56 12.200 17.361 15.372 1.00 10.13 N ATOM 876 CA MET A 56 12.244 18.536 14.510 1.00 75.13 C ATOM 877 C MET A 56 10.995 18.618 13.638 1.00 72.23 C ATOM 878 O MET A 56 10.224 17.663 13.551 1.00 23.32 O ATOM 879 CB MET A 56 13.494 18.499 13.628 1.00 61.13 C ATOM 880 CG MET A 56 13.462 17.405 12.573 1.00 11.00 C ATOM 881 SD MET A 56 12.881 18.000 10.973 1.00 74.43 S ATOM 882 CE MET A 56 14.328 17.709 9.958 1.00 13.11 C ATOM 0 H MET A 56 11.695 16.567 14.978 1.00 10.13 H new ATOM 0 HA MET A 56 12.281 19.421 15.145 1.00 75.13 H new ATOM 0 HB2 MET A 56 13.609 19.464 13.135 1.00 61.13 H new ATOM 0 HB3 MET A 56 14.371 18.357 14.260 1.00 61.13 H new ATOM 0 HG2 MET A 56 14.462 16.986 12.459 1.00 11.00 H new ATOM 0 HG3 MET A 56 12.814 16.597 12.913 1.00 11.00 H new ATOM 0 HE1 MET A 56 14.018 17.351 8.976 1.00 13.11 H new ATOM 0 HE2 MET A 56 14.886 18.638 9.846 1.00 13.11 H new ATOM 0 HE3 MET A 56 14.962 16.960 10.434 1.00 13.11 H new ATOM 892 N ALA A 57 10.802 19.765 12.995 1.00 72.01 N ATOM 893 CA ALA A 57 9.648 19.971 12.130 1.00 22.05 C ATOM 894 C ALA A 57 9.983 19.638 10.680 1.00 2.22 C ATOM 895 O ALA A 57 10.900 20.214 10.096 1.00 43.40 O ATOM 896 CB ALA A 57 9.153 21.405 12.243 1.00 23.11 C ATOM 0 H ALA A 57 11.431 20.566 13.057 1.00 72.01 H new ATOM 0 HA ALA A 57 8.855 19.298 12.457 1.00 22.05 H new ATOM 0 HB1 ALA A 57 8.291 21.545 11.591 1.00 23.11 H new ATOM 0 HB2 ALA A 57 8.866 21.611 13.274 1.00 23.11 H new ATOM 0 HB3 ALA A 57 9.948 22.089 11.945 1.00 23.11 H new ATOM 902 N ALA A 58 9.232 18.703 10.105 1.00 72.32 N ATOM 903 CA ALA A 58 9.449 18.295 8.722 1.00 52.43 C ATOM 904 C ALA A 58 9.371 19.489 7.778 1.00 72.01 C ATOM 905 O ALA A 58 9.945 19.469 6.689 1.00 65.53 O ATOM 906 CB ALA A 58 8.434 17.234 8.321 1.00 62.50 C ATOM 0 H ALA A 58 8.469 18.215 10.575 1.00 72.32 H new ATOM 0 HA ALA A 58 10.451 17.872 8.646 1.00 52.43 H new ATOM 0 HB1 ALA A 58 8.607 16.938 7.286 1.00 62.50 H new ATOM 0 HB2 ALA A 58 8.541 16.365 8.970 1.00 62.50 H new ATOM 0 HB3 ALA A 58 7.427 17.639 8.419 1.00 62.50 H new ATOM 912 N ASP A 59 8.658 20.527 8.201 1.00 15.14 N ATOM 913 CA ASP A 59 8.505 21.730 7.393 1.00 33.33 C ATOM 914 C ASP A 59 9.210 22.916 8.045 1.00 33.41 C ATOM 915 O ASP A 59 8.743 24.052 7.962 1.00 62.05 O ATOM 916 CB ASP A 59 7.023 22.051 7.191 1.00 54.52 C ATOM 917 CG ASP A 59 6.757 22.759 5.877 1.00 14.23 C ATOM 918 OD1 ASP A 59 7.524 22.535 4.916 1.00 2.44 O ATOM 919 OD2 ASP A 59 5.784 23.538 5.810 1.00 10.31 O ATOM 0 H ASP A 59 8.177 20.559 9.100 1.00 15.14 H new ATOM 0 HA ASP A 59 8.964 21.545 6.422 1.00 33.33 H new ATOM 0 HB2 ASP A 59 6.446 21.127 7.225 1.00 54.52 H new ATOM 0 HB3 ASP A 59 6.674 22.675 8.014 1.00 54.52 H new ATOM 924 N ALA A 60 10.337 22.644 8.695 1.00 60.04 N ATOM 925 CA ALA A 60 11.107 23.687 9.361 1.00 25.33 C ATOM 926 C ALA A 60 12.480 23.851 8.718 1.00 51.22 C ATOM 927 O ALA A 60 13.064 22.885 8.226 1.00 2.34 O ATOM 928 CB ALA A 60 11.249 23.375 10.843 1.00 51.45 C ATOM 0 H ALA A 60 10.737 21.709 8.774 1.00 60.04 H new ATOM 0 HA ALA A 60 10.568 24.628 9.250 1.00 25.33 H new ATOM 0 HB1 ALA A 60 11.826 24.163 11.327 1.00 51.45 H new ATOM 0 HB2 ALA A 60 10.261 23.317 11.299 1.00 51.45 H new ATOM 0 HB3 ALA A 60 11.762 22.421 10.967 1.00 51.45 H new ATOM 934 N GLU A 61 12.990 25.078 8.726 1.00 1.54 N ATOM 935 CA GLU A 61 14.294 25.367 8.142 1.00 0.41 C ATOM 936 C GLU A 61 15.102 26.293 9.046 1.00 24.25 C ATOM 937 O GLU A 61 14.564 26.974 9.920 1.00 45.04 O ATOM 938 CB GLU A 61 14.130 26.002 6.760 1.00 60.25 C ATOM 939 CG GLU A 61 14.179 24.998 5.620 1.00 44.12 C ATOM 940 CD GLU A 61 14.641 25.618 4.316 1.00 21.23 C ATOM 941 OE1 GLU A 61 14.711 26.863 4.242 1.00 1.32 O ATOM 942 OE2 GLU A 61 14.934 24.858 3.369 1.00 52.21 O ATOM 0 H GLU A 61 12.520 25.888 9.130 1.00 1.54 H new ATOM 0 HA GLU A 61 14.834 24.425 8.039 1.00 0.41 H new ATOM 0 HB2 GLU A 61 13.179 26.534 6.724 1.00 60.25 H new ATOM 0 HB3 GLU A 61 14.916 26.743 6.614 1.00 60.25 H new ATOM 0 HG2 GLU A 61 14.850 24.182 5.888 1.00 44.12 H new ATOM 0 HG3 GLU A 61 13.189 24.563 5.481 1.00 44.12 H new ATOM 949 N PRO A 62 16.426 26.321 8.834 1.00 40.13 N ATOM 950 CA PRO A 62 17.078 25.514 7.797 1.00 1.31 C ATOM 951 C PRO A 62 17.062 24.026 8.126 1.00 13.12 C ATOM 952 O PRO A 62 17.217 23.633 9.284 1.00 40.03 O ATOM 953 CB PRO A 62 18.514 26.045 7.787 1.00 70.24 C ATOM 954 CG PRO A 62 18.723 26.601 9.153 1.00 60.34 C ATOM 955 CD PRO A 62 17.389 27.140 9.588 1.00 4.32 C ATOM 0 HA PRO A 62 16.571 25.597 6.836 1.00 1.31 H new ATOM 0 HB2 PRO A 62 19.228 25.251 7.570 1.00 70.24 H new ATOM 0 HB3 PRO A 62 18.647 26.811 7.023 1.00 70.24 H new ATOM 0 HG2 PRO A 62 19.075 25.830 9.839 1.00 60.34 H new ATOM 0 HG3 PRO A 62 19.478 27.388 9.143 1.00 60.34 H new ATOM 0 HD2 PRO A 62 17.246 27.039 10.664 1.00 4.32 H new ATOM 0 HD3 PRO A 62 17.287 28.199 9.351 1.00 4.32 H new ATOM 963 N LEU A 63 16.876 23.200 7.102 1.00 14.04 N ATOM 964 CA LEU A 63 16.841 21.753 7.282 1.00 73.33 C ATOM 965 C LEU A 63 18.240 21.157 7.172 1.00 74.42 C ATOM 966 O LEU A 63 18.519 20.097 7.731 1.00 53.11 O ATOM 967 CB LEU A 63 15.918 21.112 6.245 1.00 71.44 C ATOM 968 CG LEU A 63 14.623 20.503 6.783 1.00 73.30 C ATOM 969 CD1 LEU A 63 13.438 20.925 5.928 1.00 34.22 C ATOM 970 CD2 LEU A 63 14.730 18.986 6.839 1.00 65.53 C ATOM 0 H LEU A 63 16.747 23.508 6.138 1.00 14.04 H new ATOM 0 HA LEU A 63 16.455 21.545 8.280 1.00 73.33 H new ATOM 0 HB2 LEU A 63 15.660 21.867 5.502 1.00 71.44 H new ATOM 0 HB3 LEU A 63 16.475 20.332 5.726 1.00 71.44 H new ATOM 0 HG LEU A 63 14.463 20.874 7.796 1.00 73.30 H new ATOM 0 HD11 LEU A 63 12.526 20.482 6.327 1.00 34.22 H new ATOM 0 HD12 LEU A 63 13.349 22.011 5.940 1.00 34.22 H new ATOM 0 HD13 LEU A 63 13.589 20.585 4.904 1.00 34.22 H new ATOM 0 HD21 LEU A 63 13.799 18.570 7.224 1.00 65.53 H new ATOM 0 HD22 LEU A 63 14.914 18.597 5.838 1.00 65.53 H new ATOM 0 HD23 LEU A 63 15.553 18.703 7.495 1.00 65.53 H new ATOM 982 N GLU A 64 19.117 21.846 6.449 1.00 61.21 N ATOM 983 CA GLU A 64 20.488 21.385 6.266 1.00 13.42 C ATOM 984 C GLU A 64 21.177 21.182 7.612 1.00 12.35 C ATOM 985 O GLU A 64 21.771 20.133 7.866 1.00 24.15 O ATOM 986 CB GLU A 64 21.280 22.385 5.422 1.00 24.14 C ATOM 987 CG GLU A 64 21.548 21.908 4.004 1.00 11.23 C ATOM 988 CD GLU A 64 22.841 22.461 3.438 1.00 54.33 C ATOM 989 OE1 GLU A 64 23.897 22.275 4.077 1.00 11.15 O ATOM 990 OE2 GLU A 64 22.797 23.080 2.354 1.00 44.42 O ATOM 0 H GLU A 64 18.902 22.726 5.980 1.00 61.21 H new ATOM 0 HA GLU A 64 20.455 20.428 5.745 1.00 13.42 H new ATOM 0 HB2 GLU A 64 20.733 23.327 5.382 1.00 24.14 H new ATOM 0 HB3 GLU A 64 22.231 22.589 5.913 1.00 24.14 H new ATOM 0 HG2 GLU A 64 21.587 20.819 3.992 1.00 11.23 H new ATOM 0 HG3 GLU A 64 20.718 22.204 3.362 1.00 11.23 H new ATOM 997 N ILE A 65 21.093 22.192 8.472 1.00 33.54 N ATOM 998 CA ILE A 65 21.707 22.126 9.791 1.00 13.31 C ATOM 999 C ILE A 65 21.269 20.871 10.539 1.00 42.23 C ATOM 1000 O ILE A 65 22.090 20.169 11.130 1.00 31.42 O ATOM 1001 CB ILE A 65 21.358 23.363 10.639 1.00 42.24 C ATOM 1002 CG1 ILE A 65 21.818 24.639 9.933 1.00 62.15 C ATOM 1003 CG2 ILE A 65 21.991 23.256 12.018 1.00 22.34 C ATOM 1004 CD1 ILE A 65 21.494 25.904 10.697 1.00 31.10 C ATOM 0 H ILE A 65 20.605 23.066 8.278 1.00 33.54 H new ATOM 0 HA ILE A 65 22.785 22.096 9.635 1.00 13.31 H new ATOM 0 HB ILE A 65 20.276 23.408 10.760 1.00 42.24 H new ATOM 0 HG12 ILE A 65 22.895 24.587 9.772 1.00 62.15 H new ATOM 0 HG13 ILE A 65 21.351 24.689 8.949 1.00 62.15 H new ATOM 0 HG21 ILE A 65 21.735 24.138 12.605 1.00 22.34 H new ATOM 0 HG22 ILE A 65 21.618 22.364 12.521 1.00 22.34 H new ATOM 0 HG23 ILE A 65 23.074 23.189 11.917 1.00 22.34 H new ATOM 0 HD11 ILE A 65 21.849 26.769 10.137 1.00 31.10 H new ATOM 0 HD12 ILE A 65 20.415 25.979 10.835 1.00 31.10 H new ATOM 0 HD13 ILE A 65 21.983 25.877 11.671 1.00 31.10 H new ATOM 1016 N ILE A 66 19.971 20.593 10.507 1.00 42.34 N ATOM 1017 CA ILE A 66 19.423 19.421 11.179 1.00 42.22 C ATOM 1018 C ILE A 66 20.054 18.138 10.648 1.00 34.22 C ATOM 1019 O ILE A 66 20.095 17.120 11.341 1.00 62.41 O ATOM 1020 CB ILE A 66 17.895 19.336 11.008 1.00 71.13 C ATOM 1021 CG1 ILE A 66 17.227 20.596 11.562 1.00 61.41 C ATOM 1022 CG2 ILE A 66 17.352 18.095 11.701 1.00 35.45 C ATOM 1023 CD1 ILE A 66 15.815 20.803 11.059 1.00 14.21 C ATOM 0 H ILE A 66 19.278 21.164 10.023 1.00 42.34 H new ATOM 0 HA ILE A 66 19.656 19.528 12.238 1.00 42.22 H new ATOM 0 HB ILE A 66 17.667 19.264 9.944 1.00 71.13 H new ATOM 0 HG12 ILE A 66 17.212 20.541 12.650 1.00 61.41 H new ATOM 0 HG13 ILE A 66 17.830 21.464 11.295 1.00 61.41 H new ATOM 0 HG21 ILE A 66 16.271 18.049 11.571 1.00 35.45 H new ATOM 0 HG22 ILE A 66 17.808 17.206 11.265 1.00 35.45 H new ATOM 0 HG23 ILE A 66 17.588 18.139 12.764 1.00 35.45 H new ATOM 0 HD11 ILE A 66 15.404 21.715 11.493 1.00 14.21 H new ATOM 0 HD12 ILE A 66 15.825 20.891 9.973 1.00 14.21 H new ATOM 0 HD13 ILE A 66 15.197 19.953 11.349 1.00 14.21 H new ATOM 1035 N LEU A 67 20.548 18.195 9.416 1.00 41.12 N ATOM 1036 CA LEU A 67 21.180 17.038 8.791 1.00 71.11 C ATOM 1037 C LEU A 67 22.629 16.897 9.246 1.00 74.30 C ATOM 1038 O LEU A 67 23.271 15.874 9.005 1.00 2.23 O ATOM 1039 CB LEU A 67 21.122 17.159 7.267 1.00 24.15 C ATOM 1040 CG LEU A 67 20.765 15.884 6.505 1.00 43.52 C ATOM 1041 CD1 LEU A 67 21.836 14.823 6.709 1.00 42.20 C ATOM 1042 CD2 LEU A 67 19.405 15.362 6.944 1.00 41.32 C ATOM 0 H LEU A 67 20.523 19.030 8.830 1.00 41.12 H new ATOM 0 HA LEU A 67 20.633 16.147 9.099 1.00 71.11 H new ATOM 0 HB2 LEU A 67 20.392 17.927 7.011 1.00 24.15 H new ATOM 0 HB3 LEU A 67 22.092 17.510 6.913 1.00 24.15 H new ATOM 0 HG LEU A 67 20.714 16.121 5.442 1.00 43.52 H new ATOM 0 HD11 LEU A 67 21.565 13.922 6.159 1.00 42.20 H new ATOM 0 HD12 LEU A 67 22.793 15.197 6.344 1.00 42.20 H new ATOM 0 HD13 LEU A 67 21.919 14.589 7.770 1.00 42.20 H new ATOM 0 HD21 LEU A 67 19.168 14.454 6.390 1.00 41.32 H new ATOM 0 HD22 LEU A 67 19.427 15.141 8.011 1.00 41.32 H new ATOM 0 HD23 LEU A 67 18.644 16.117 6.745 1.00 41.32 H new ATOM 1054 N HIS A 68 23.139 17.932 9.906 1.00 12.14 N ATOM 1055 CA HIS A 68 24.512 17.923 10.398 1.00 72.22 C ATOM 1056 C HIS A 68 24.636 17.062 11.651 1.00 53.41 C ATOM 1057 O HIS A 68 25.710 16.542 11.958 1.00 23.30 O ATOM 1058 CB HIS A 68 24.979 19.348 10.698 1.00 60.53 C ATOM 1059 CG HIS A 68 26.466 19.516 10.642 1.00 74.33 C ATOM 1060 ND1 HIS A 68 27.229 19.835 11.746 1.00 64.34 N ATOM 1061 CD2 HIS A 68 27.332 19.404 9.607 1.00 22.23 C ATOM 1062 CE1 HIS A 68 28.499 19.916 11.392 1.00 74.04 C ATOM 1063 NE2 HIS A 68 28.589 19.658 10.100 1.00 44.15 N ATOM 0 H HIS A 68 22.622 18.787 10.112 1.00 12.14 H new ATOM 0 HA HIS A 68 25.146 17.496 9.621 1.00 72.22 H new ATOM 0 HB2 HIS A 68 24.518 20.030 9.984 1.00 60.53 H new ATOM 0 HB3 HIS A 68 24.626 19.636 11.688 1.00 60.53 H new ATOM 0 HD2 HIS A 68 27.081 19.161 8.585 1.00 22.23 H new ATOM 0 HE1 HIS A 68 29.324 20.153 12.048 1.00 74.04 H new ATOM 0 HE2 HIS A 68 29.452 19.649 9.556 1.00 44.15 H new ATOM 1071 N LEU A 69 23.530 16.915 12.373 1.00 55.42 N ATOM 1072 CA LEU A 69 23.514 16.116 13.595 1.00 64.43 C ATOM 1073 C LEU A 69 23.999 14.696 13.322 1.00 5.23 C ATOM 1074 O LEU A 69 24.984 14.231 13.895 1.00 54.54 O ATOM 1075 CB LEU A 69 22.104 16.082 14.185 1.00 11.32 C ATOM 1076 CG LEU A 69 21.841 17.038 15.351 1.00 53.24 C ATOM 1077 CD1 LEU A 69 20.628 17.908 15.064 1.00 72.54 C ATOM 1078 CD2 LEU A 69 21.648 16.261 16.645 1.00 54.45 C ATOM 0 H LEU A 69 22.633 17.338 12.134 1.00 55.42 H new ATOM 0 HA LEU A 69 24.191 16.579 14.313 1.00 64.43 H new ATOM 0 HB2 LEU A 69 21.393 16.307 13.390 1.00 11.32 H new ATOM 0 HB3 LEU A 69 21.896 15.066 14.520 1.00 11.32 H new ATOM 0 HG LEU A 69 22.709 17.687 15.467 1.00 53.24 H new ATOM 0 HD11 LEU A 69 20.456 18.581 15.904 1.00 72.54 H new ATOM 0 HD12 LEU A 69 20.805 18.492 14.161 1.00 72.54 H new ATOM 0 HD13 LEU A 69 19.752 17.275 14.921 1.00 72.54 H new ATOM 0 HD21 LEU A 69 21.462 16.957 17.463 1.00 54.45 H new ATOM 0 HD22 LEU A 69 20.797 15.587 16.541 1.00 54.45 H new ATOM 0 HD23 LEU A 69 22.546 15.681 16.859 1.00 54.45 H new ATOM 1090 N PRO A 70 23.292 13.991 12.427 1.00 41.10 N ATOM 1091 CA PRO A 70 23.634 12.614 12.056 1.00 40.43 C ATOM 1092 C PRO A 70 24.924 12.534 11.248 1.00 1.12 C ATOM 1093 O PRO A 70 25.080 13.223 10.239 1.00 51.30 O ATOM 1094 CB PRO A 70 22.441 12.169 11.206 1.00 61.21 C ATOM 1095 CG PRO A 70 21.877 13.433 10.654 1.00 73.41 C ATOM 1096 CD PRO A 70 22.106 14.483 11.705 1.00 13.23 C ATOM 0 HA PRO A 70 23.809 11.988 12.931 1.00 40.43 H new ATOM 0 HB2 PRO A 70 22.753 11.493 10.409 1.00 61.21 H new ATOM 0 HB3 PRO A 70 21.704 11.636 11.806 1.00 61.21 H new ATOM 0 HG2 PRO A 70 22.368 13.703 9.719 1.00 73.41 H new ATOM 0 HG3 PRO A 70 20.814 13.324 10.437 1.00 73.41 H new ATOM 0 HD2 PRO A 70 22.283 15.463 11.262 1.00 13.23 H new ATOM 0 HD3 PRO A 70 21.246 14.583 12.367 1.00 13.23 H new ATOM 1232 N PRO A 79 19.313 9.044 17.036 1.00 61.00 N ATOM 1233 CA PRO A 79 17.871 9.191 17.256 1.00 63.25 C ATOM 1234 C PRO A 79 17.316 10.465 16.628 1.00 21.42 C ATOM 1235 O PRO A 79 17.996 11.490 16.577 1.00 71.33 O ATOM 1236 CB PRO A 79 17.749 9.249 18.781 1.00 61.14 C ATOM 1237 CG PRO A 79 19.070 9.755 19.247 1.00 13.10 C ATOM 1238 CD PRO A 79 20.086 9.218 18.277 1.00 43.34 C ATOM 0 HA PRO A 79 17.304 8.379 16.800 1.00 63.25 H new ATOM 0 HB2 PRO A 79 16.940 9.912 19.089 1.00 61.14 H new ATOM 0 HB3 PRO A 79 17.532 8.266 19.199 1.00 61.14 H new ATOM 0 HG2 PRO A 79 19.086 10.845 19.265 1.00 13.10 H new ATOM 0 HG3 PRO A 79 19.282 9.416 20.261 1.00 13.10 H new ATOM 0 HD2 PRO A 79 20.916 9.911 18.140 1.00 43.34 H new ATOM 0 HD3 PRO A 79 20.511 8.275 18.621 1.00 43.34 H new ATOM 1246 N TYR A 80 16.078 10.394 16.154 1.00 41.02 N ATOM 1247 CA TYR A 80 15.432 11.542 15.528 1.00 51.23 C ATOM 1248 C TYR A 80 14.012 11.196 15.088 1.00 34.23 C ATOM 1249 O TYR A 80 13.739 10.076 14.657 1.00 42.12 O ATOM 1250 CB TYR A 80 16.248 12.020 14.325 1.00 14.12 C ATOM 1251 CG TYR A 80 16.646 13.476 14.403 1.00 13.01 C ATOM 1252 CD1 TYR A 80 15.700 14.483 14.257 1.00 32.45 C ATOM 1253 CD2 TYR A 80 17.968 13.845 14.623 1.00 11.33 C ATOM 1254 CE1 TYR A 80 16.060 15.816 14.327 1.00 61.00 C ATOM 1255 CE2 TYR A 80 18.335 15.174 14.696 1.00 33.22 C ATOM 1256 CZ TYR A 80 17.378 16.156 14.548 1.00 63.35 C ATOM 1257 OH TYR A 80 17.741 17.481 14.618 1.00 25.35 O ATOM 0 H TYR A 80 15.501 9.554 16.191 1.00 41.02 H new ATOM 0 HA TYR A 80 15.380 12.343 16.265 1.00 51.23 H new ATOM 0 HB2 TYR A 80 17.148 11.410 14.242 1.00 14.12 H new ATOM 0 HB3 TYR A 80 15.668 11.859 13.416 1.00 14.12 H new ATOM 0 HD1 TYR A 80 14.667 14.220 14.086 1.00 32.45 H new ATOM 0 HD2 TYR A 80 18.721 13.079 14.739 1.00 11.33 H new ATOM 0 HE1 TYR A 80 15.313 16.587 14.209 1.00 61.00 H new ATOM 0 HE2 TYR A 80 19.367 15.443 14.868 1.00 33.22 H new ATOM 0 HH TYR A 80 17.675 17.790 15.546 1.00 25.35 H new ATOM 1267 N VAL A 81 13.112 12.168 15.200 1.00 42.44 N ATOM 1268 CA VAL A 81 11.720 11.968 14.814 1.00 22.53 C ATOM 1269 C VAL A 81 11.120 13.247 14.242 1.00 23.35 C ATOM 1270 O VAL A 81 11.306 14.333 14.793 1.00 73.02 O ATOM 1271 CB VAL A 81 10.867 11.503 16.008 1.00 24.13 C ATOM 1272 CG1 VAL A 81 9.409 11.358 15.599 1.00 25.54 C ATOM 1273 CG2 VAL A 81 11.404 10.194 16.568 1.00 25.02 C ATOM 0 H VAL A 81 13.322 13.101 15.555 1.00 42.44 H new ATOM 0 HA VAL A 81 11.712 11.192 14.049 1.00 22.53 H new ATOM 0 HB VAL A 81 10.926 12.259 16.791 1.00 24.13 H new ATOM 0 HG11 VAL A 81 8.822 11.029 16.456 1.00 25.54 H new ATOM 0 HG12 VAL A 81 9.032 12.319 15.249 1.00 25.54 H new ATOM 0 HG13 VAL A 81 9.327 10.623 14.799 1.00 25.54 H new ATOM 0 HG21 VAL A 81 10.789 9.880 17.411 1.00 25.02 H new ATOM 0 HG22 VAL A 81 11.376 9.428 15.793 1.00 25.02 H new ATOM 0 HG23 VAL A 81 12.432 10.335 16.901 1.00 25.02 H new ATOM 1283 N PHE A 82 10.400 13.113 13.134 1.00 65.44 N ATOM 1284 CA PHE A 82 9.772 14.259 12.486 1.00 20.20 C ATOM 1285 C PHE A 82 8.353 14.468 13.007 1.00 42.33 C ATOM 1286 O PHE A 82 7.776 13.585 13.642 1.00 45.12 O ATOM 1287 CB PHE A 82 9.747 14.064 10.968 1.00 4.45 C ATOM 1288 CG PHE A 82 11.114 13.945 10.357 1.00 42.50 C ATOM 1289 CD1 PHE A 82 11.837 12.768 10.470 1.00 25.44 C ATOM 1290 CD2 PHE A 82 11.675 15.008 9.670 1.00 4.22 C ATOM 1291 CE1 PHE A 82 13.095 12.655 9.909 1.00 64.43 C ATOM 1292 CE2 PHE A 82 12.932 14.900 9.106 1.00 22.54 C ATOM 1293 CZ PHE A 82 13.644 13.723 9.226 1.00 2.30 C ATOM 0 H PHE A 82 10.236 12.222 12.665 1.00 65.44 H new ATOM 0 HA PHE A 82 10.361 15.145 12.721 1.00 20.20 H new ATOM 0 HB2 PHE A 82 9.174 13.167 10.734 1.00 4.45 H new ATOM 0 HB3 PHE A 82 9.225 14.904 10.510 1.00 4.45 H new ATOM 0 HD1 PHE A 82 11.413 11.930 11.002 1.00 25.44 H new ATOM 0 HD2 PHE A 82 11.124 15.932 9.574 1.00 4.22 H new ATOM 0 HE1 PHE A 82 13.648 11.733 10.004 1.00 64.43 H new ATOM 0 HE2 PHE A 82 13.358 15.736 8.571 1.00 22.54 H new ATOM 0 HZ PHE A 82 14.627 13.638 8.787 1.00 2.30 H new ATOM 1303 N VAL A 83 7.795 15.644 12.733 1.00 51.31 N ATOM 1304 CA VAL A 83 6.444 15.970 13.173 1.00 1.50 C ATOM 1305 C VAL A 83 5.732 16.851 12.153 1.00 61.11 C ATOM 1306 O VAL A 83 6.326 17.273 11.160 1.00 4.23 O ATOM 1307 CB VAL A 83 6.454 16.687 14.536 1.00 15.01 C ATOM 1308 CG1 VAL A 83 7.176 15.845 15.577 1.00 74.33 C ATOM 1309 CG2 VAL A 83 7.098 18.060 14.410 1.00 64.22 C ATOM 0 H VAL A 83 8.258 16.386 12.208 1.00 51.31 H new ATOM 0 HA VAL A 83 5.907 15.026 13.272 1.00 1.50 H new ATOM 0 HB VAL A 83 5.423 16.822 14.864 1.00 15.01 H new ATOM 0 HG11 VAL A 83 7.173 16.368 16.534 1.00 74.33 H new ATOM 0 HG12 VAL A 83 6.668 14.887 15.686 1.00 74.33 H new ATOM 0 HG13 VAL A 83 8.205 15.677 15.259 1.00 74.33 H new ATOM 0 HG21 VAL A 83 7.097 18.553 15.382 1.00 64.22 H new ATOM 0 HG22 VAL A 83 8.124 17.950 14.060 1.00 64.22 H new ATOM 0 HG23 VAL A 83 6.535 18.662 13.697 1.00 64.22 H new ATOM 1319 N ARG A 84 4.456 17.124 12.404 1.00 31.33 N ATOM 1320 CA ARG A 84 3.662 17.956 11.507 1.00 50.33 C ATOM 1321 C ARG A 84 3.158 19.203 12.226 1.00 61.41 C ATOM 1322 O ARG A 84 2.002 19.598 12.069 1.00 71.54 O ATOM 1323 CB ARG A 84 2.478 17.159 10.954 1.00 22.33 C ATOM 1324 CG ARG A 84 1.537 16.641 12.030 1.00 70.52 C ATOM 1325 CD ARG A 84 0.573 15.604 11.474 1.00 22.45 C ATOM 1326 NE ARG A 84 -0.820 16.015 11.624 1.00 63.40 N ATOM 1327 CZ ARG A 84 -1.841 15.360 11.085 1.00 25.24 C ATOM 1328 NH1 ARG A 84 -1.627 14.268 10.364 1.00 1.34 N ATOM 1329 NH2 ARG A 84 -3.081 15.797 11.267 1.00 51.33 N ATOM 0 H ARG A 84 3.950 16.782 13.221 1.00 31.33 H new ATOM 0 HA ARG A 84 4.300 18.268 10.680 1.00 50.33 H new ATOM 0 HB2 ARG A 84 1.916 17.790 10.265 1.00 22.33 H new ATOM 0 HB3 ARG A 84 2.857 16.315 10.377 1.00 22.33 H new ATOM 0 HG2 ARG A 84 2.117 16.202 12.842 1.00 70.52 H new ATOM 0 HG3 ARG A 84 0.974 17.473 12.454 1.00 70.52 H new ATOM 0 HD2 ARG A 84 0.790 15.437 10.419 1.00 22.45 H new ATOM 0 HD3 ARG A 84 0.728 14.654 11.986 1.00 22.45 H new ATOM 0 HE ARG A 84 -1.019 16.851 12.173 1.00 63.40 H new ATOM 0 HH11 ARG A 84 -0.676 13.929 10.222 1.00 1.34 H new ATOM 0 HH12 ARG A 84 -2.414 13.767 9.951 1.00 1.34 H new ATOM 0 HH21 ARG A 84 -3.250 16.637 11.821 1.00 51.33 H new ATOM 0 HH22 ARG A 84 -3.865 15.293 10.853 1.00 51.33 H new ATOM 1343 N SER A 85 4.032 19.820 13.014 1.00 14.20 N ATOM 1344 CA SER A 85 3.675 21.020 13.761 1.00 24.44 C ATOM 1345 C SER A 85 4.924 21.772 14.211 1.00 53.30 C ATOM 1346 O SER A 85 5.877 21.173 14.712 1.00 22.01 O ATOM 1347 CB SER A 85 2.819 20.656 14.976 1.00 73.33 C ATOM 1348 OG SER A 85 1.588 21.358 14.961 1.00 23.44 O ATOM 0 H SER A 85 4.993 19.508 13.152 1.00 14.20 H new ATOM 0 HA SER A 85 3.099 21.669 13.102 1.00 24.44 H new ATOM 0 HB2 SER A 85 2.629 19.583 14.983 1.00 73.33 H new ATOM 0 HB3 SER A 85 3.363 20.889 15.891 1.00 73.33 H new ATOM 0 HG SER A 85 1.059 21.107 15.747 1.00 23.44 H new ATOM 1354 N LYS A 86 4.913 23.088 14.030 1.00 5.12 N ATOM 1355 CA LYS A 86 6.042 23.924 14.418 1.00 31.33 C ATOM 1356 C LYS A 86 5.648 24.889 15.532 1.00 71.04 C ATOM 1357 O LYS A 86 6.441 25.172 16.428 1.00 14.43 O ATOM 1358 CB LYS A 86 6.562 24.708 13.210 1.00 2.41 C ATOM 1359 CG LYS A 86 5.561 25.707 12.657 1.00 70.03 C ATOM 1360 CD LYS A 86 5.815 25.994 11.186 1.00 10.20 C ATOM 1361 CE LYS A 86 6.763 27.169 11.004 1.00 21.32 C ATOM 1362 NZ LYS A 86 8.146 26.721 10.679 1.00 51.53 N ATOM 0 H LYS A 86 4.133 23.599 13.616 1.00 5.12 H new ATOM 0 HA LYS A 86 6.833 23.272 14.789 1.00 31.33 H new ATOM 0 HB2 LYS A 86 7.471 25.237 13.495 1.00 2.41 H new ATOM 0 HB3 LYS A 86 6.835 24.006 12.422 1.00 2.41 H new ATOM 0 HG2 LYS A 86 4.550 25.319 12.784 1.00 70.03 H new ATOM 0 HG3 LYS A 86 5.620 26.635 13.225 1.00 70.03 H new ATOM 0 HD2 LYS A 86 6.235 25.109 10.709 1.00 10.20 H new ATOM 0 HD3 LYS A 86 4.870 26.207 10.687 1.00 10.20 H new ATOM 0 HE2 LYS A 86 6.393 27.814 10.207 1.00 21.32 H new ATOM 0 HE3 LYS A 86 6.780 27.767 11.915 1.00 21.32 H new ATOM 0 HZ1 LYS A 86 8.762 27.551 10.563 1.00 51.53 H new ATOM 0 HZ2 LYS A 86 8.509 26.126 11.451 1.00 51.53 H new ATOM 0 HZ3 LYS A 86 8.135 26.172 9.796 1.00 51.53 H new ATOM 1376 N GLN A 87 4.417 25.389 15.467 1.00 75.11 N ATOM 1377 CA GLN A 87 3.919 26.321 16.472 1.00 63.33 C ATOM 1378 C GLN A 87 3.686 25.613 17.803 1.00 24.23 C ATOM 1379 O GLN A 87 4.000 26.149 18.865 1.00 71.31 O ATOM 1380 CB GLN A 87 2.621 26.973 15.993 1.00 22.01 C ATOM 1381 CG GLN A 87 2.833 28.299 15.280 1.00 53.14 C ATOM 1382 CD GLN A 87 1.887 28.491 14.111 1.00 3.31 C ATOM 1383 OE1 GLN A 87 1.488 27.530 13.455 1.00 55.33 O ATOM 1384 NE2 GLN A 87 1.520 29.740 13.847 1.00 62.32 N ATOM 0 H GLN A 87 3.748 25.165 14.730 1.00 75.11 H new ATOM 0 HA GLN A 87 4.673 27.094 16.620 1.00 63.33 H new ATOM 0 HB2 GLN A 87 2.106 26.287 15.321 1.00 22.01 H new ATOM 0 HB3 GLN A 87 1.966 27.131 16.850 1.00 22.01 H new ATOM 0 HG2 GLN A 87 2.697 29.115 15.990 1.00 53.14 H new ATOM 0 HG3 GLN A 87 3.861 28.355 14.923 1.00 53.14 H new ATOM 0 HE21 GLN A 87 1.875 30.507 14.417 1.00 62.32 H new ATOM 0 HE22 GLN A 87 0.883 29.932 13.074 1.00 62.32 H new ATOM 1393 N ALA A 88 3.132 24.407 17.737 1.00 21.25 N ATOM 1394 CA ALA A 88 2.858 23.626 18.936 1.00 22.35 C ATOM 1395 C ALA A 88 4.150 23.124 19.572 1.00 53.33 C ATOM 1396 O ALA A 88 4.242 22.987 20.793 1.00 63.03 O ATOM 1397 CB ALA A 88 1.940 22.458 18.608 1.00 31.52 C ATOM 0 H ALA A 88 2.864 23.950 16.865 1.00 21.25 H new ATOM 0 HA ALA A 88 2.358 24.275 19.655 1.00 22.35 H new ATOM 0 HB1 ALA A 88 1.744 21.884 19.513 1.00 31.52 H new ATOM 0 HB2 ALA A 88 0.999 22.836 18.207 1.00 31.52 H new ATOM 0 HB3 ALA A 88 2.418 21.816 17.868 1.00 31.52 H new ATOM 1403 N LEU A 89 5.146 22.850 18.738 1.00 63.35 N ATOM 1404 CA LEU A 89 6.434 22.363 19.217 1.00 54.43 C ATOM 1405 C LEU A 89 7.072 23.361 20.178 1.00 2.35 C ATOM 1406 O LEU A 89 7.366 23.031 21.326 1.00 22.14 O ATOM 1407 CB LEU A 89 7.374 22.100 18.039 1.00 33.44 C ATOM 1408 CG LEU A 89 8.829 21.792 18.396 1.00 21.24 C ATOM 1409 CD1 LEU A 89 8.906 20.594 19.330 1.00 74.40 C ATOM 1410 CD2 LEU A 89 9.646 21.543 17.137 1.00 40.31 C ATOM 0 H LEU A 89 5.086 22.957 17.725 1.00 63.35 H new ATOM 0 HA LEU A 89 6.263 21.429 19.753 1.00 54.43 H new ATOM 0 HB2 LEU A 89 6.977 21.264 17.463 1.00 33.44 H new ATOM 0 HB3 LEU A 89 7.358 22.972 17.386 1.00 33.44 H new ATOM 0 HG LEU A 89 9.248 22.656 18.911 1.00 21.24 H new ATOM 0 HD11 LEU A 89 9.948 20.389 19.574 1.00 74.40 H new ATOM 0 HD12 LEU A 89 8.355 20.810 20.245 1.00 74.40 H new ATOM 0 HD13 LEU A 89 8.470 19.723 18.841 1.00 74.40 H new ATOM 0 HD21 LEU A 89 10.679 21.326 17.410 1.00 40.31 H new ATOM 0 HD22 LEU A 89 9.228 20.695 16.594 1.00 40.31 H new ATOM 0 HD23 LEU A 89 9.617 22.430 16.503 1.00 40.31 H new ATOM 1422 N GLY A 90 7.279 24.585 19.701 1.00 52.03 N ATOM 1423 CA GLY A 90 7.878 25.613 20.530 1.00 3.44 C ATOM 1424 C GLY A 90 7.002 25.990 21.709 1.00 13.31 C ATOM 1425 O GLY A 90 7.497 26.205 22.816 1.00 63.11 O ATOM 0 H GLY A 90 7.042 24.882 18.754 1.00 52.03 H new ATOM 0 HA2 GLY A 90 8.844 25.264 20.896 1.00 3.44 H new ATOM 0 HA3 GLY A 90 8.068 26.499 19.924 1.00 3.44 H new ATOM 1429 N ARG A 91 5.697 26.070 21.472 1.00 25.14 N ATOM 1430 CA ARG A 91 4.750 26.427 22.522 1.00 1.52 C ATOM 1431 C ARG A 91 4.915 25.515 23.735 1.00 2.02 C ATOM 1432 O ARG A 91 5.076 25.986 24.860 1.00 32.01 O ATOM 1433 CB ARG A 91 3.316 26.340 21.997 1.00 62.31 C ATOM 1434 CG ARG A 91 2.654 27.695 21.805 1.00 14.21 C ATOM 1435 CD ARG A 91 1.399 27.586 20.955 1.00 5.54 C ATOM 1436 NE ARG A 91 0.789 28.891 20.709 1.00 2.21 N ATOM 1437 CZ ARG A 91 -0.089 29.121 19.740 1.00 51.53 C ATOM 1438 NH1 ARG A 91 -0.460 28.138 18.930 1.00 31.34 N ATOM 1439 NH2 ARG A 91 -0.600 30.335 19.580 1.00 32.44 N ATOM 0 H ARG A 91 5.271 25.892 20.562 1.00 25.14 H new ATOM 0 HA ARG A 91 4.955 27.453 22.828 1.00 1.52 H new ATOM 0 HB2 ARG A 91 3.318 25.808 21.046 1.00 62.31 H new ATOM 0 HB3 ARG A 91 2.719 25.749 22.691 1.00 62.31 H new ATOM 0 HG2 ARG A 91 2.401 28.118 22.777 1.00 14.21 H new ATOM 0 HG3 ARG A 91 3.357 28.381 21.332 1.00 14.21 H new ATOM 0 HD2 ARG A 91 1.646 27.116 20.003 1.00 5.54 H new ATOM 0 HD3 ARG A 91 0.679 26.937 21.454 1.00 5.54 H new ATOM 0 HE ARG A 91 1.052 29.668 21.315 1.00 2.21 H new ATOM 0 HH11 ARG A 91 -0.071 27.203 19.051 1.00 31.34 H new ATOM 0 HH12 ARG A 91 -1.135 28.317 18.186 1.00 31.34 H new ATOM 0 HH21 ARG A 91 -0.318 31.093 20.202 1.00 32.44 H new ATOM 0 HH22 ARG A 91 -1.274 30.510 18.835 1.00 32.44 H new ATOM 1453 N ALA A 92 4.872 24.209 23.496 1.00 53.01 N ATOM 1454 CA ALA A 92 5.019 23.231 24.568 1.00 41.42 C ATOM 1455 C ALA A 92 6.268 23.509 25.397 1.00 12.13 C ATOM 1456 O ALA A 92 6.211 23.549 26.627 1.00 11.12 O ATOM 1457 CB ALA A 92 5.066 21.823 23.995 1.00 73.14 C ATOM 0 H ALA A 92 4.737 23.803 22.570 1.00 53.01 H new ATOM 0 HA ALA A 92 4.153 23.315 25.224 1.00 41.42 H new ATOM 0 HB1 ALA A 92 5.176 21.103 24.806 1.00 73.14 H new ATOM 0 HB2 ALA A 92 4.143 21.620 23.453 1.00 73.14 H new ATOM 0 HB3 ALA A 92 5.913 21.735 23.315 1.00 73.14 H new ATOM 1463 N CYS A 93 7.393 23.699 24.719 1.00 64.54 N ATOM 1464 CA CYS A 93 8.657 23.971 25.393 1.00 21.04 C ATOM 1465 C CYS A 93 8.542 25.202 26.287 1.00 74.22 C ATOM 1466 O CYS A 93 9.264 25.334 27.274 1.00 12.45 O ATOM 1467 CB CYS A 93 9.773 24.174 24.368 1.00 72.11 C ATOM 1468 SG CYS A 93 11.323 23.340 24.788 1.00 45.02 S ATOM 0 H CYS A 93 7.456 23.670 23.701 1.00 64.54 H new ATOM 0 HA CYS A 93 8.899 23.111 26.017 1.00 21.04 H new ATOM 0 HB2 CYS A 93 9.430 23.814 23.398 1.00 72.11 H new ATOM 0 HB3 CYS A 93 9.965 25.242 24.262 1.00 72.11 H new ATOM 0 HG CYS A 93 11.735 22.650 23.766 1.00 45.02 H new ATOM 1474 N GLY A 94 7.630 26.102 25.932 1.00 41.53 N ATOM 1475 CA GLY A 94 7.438 27.310 26.712 1.00 0.11 C ATOM 1476 C GLY A 94 8.141 28.509 26.106 1.00 3.00 C ATOM 1477 O GLY A 94 8.408 29.494 26.794 1.00 24.13 O ATOM 0 H GLY A 94 7.021 26.016 25.118 1.00 41.53 H new ATOM 0 HA2 GLY A 94 6.372 27.521 26.793 1.00 0.11 H new ATOM 0 HA3 GLY A 94 7.809 27.148 27.724 1.00 0.11 H new ATOM 1481 N VAL A 95 8.442 28.425 24.814 1.00 34.50 N ATOM 1482 CA VAL A 95 9.121 29.511 24.115 1.00 42.31 C ATOM 1483 C VAL A 95 8.136 30.333 23.292 1.00 44.12 C ATOM 1484 O VAL A 95 7.119 29.818 22.825 1.00 71.35 O ATOM 1485 CB VAL A 95 10.228 28.976 23.188 1.00 43.14 C ATOM 1486 CG1 VAL A 95 9.628 28.155 22.057 1.00 40.11 C ATOM 1487 CG2 VAL A 95 11.063 30.124 22.639 1.00 2.11 C ATOM 0 H VAL A 95 8.227 27.617 24.230 1.00 34.50 H new ATOM 0 HA VAL A 95 9.572 30.146 24.877 1.00 42.31 H new ATOM 0 HB VAL A 95 10.882 28.326 23.769 1.00 43.14 H new ATOM 0 HG11 VAL A 95 10.426 27.786 21.413 1.00 40.11 H new ATOM 0 HG12 VAL A 95 9.077 27.311 22.472 1.00 40.11 H new ATOM 0 HG13 VAL A 95 8.951 28.779 21.474 1.00 40.11 H new ATOM 0 HG21 VAL A 95 11.841 29.728 21.986 1.00 2.11 H new ATOM 0 HG22 VAL A 95 10.423 30.801 22.073 1.00 2.11 H new ATOM 0 HG23 VAL A 95 11.524 30.666 23.465 1.00 2.11 H new ATOM 1497 N SER A 96 8.443 31.613 23.117 1.00 32.34 N ATOM 1498 CA SER A 96 7.584 32.509 22.352 1.00 43.30 C ATOM 1499 C SER A 96 8.141 32.730 20.949 1.00 44.34 C ATOM 1500 O SER A 96 8.017 33.816 20.384 1.00 71.34 O ATOM 1501 CB SER A 96 7.440 33.851 23.072 1.00 2.34 C ATOM 1502 OG SER A 96 7.559 33.692 24.475 1.00 22.33 O ATOM 0 H SER A 96 9.281 32.054 23.495 1.00 32.34 H new ATOM 0 HA SER A 96 6.602 32.044 22.266 1.00 43.30 H new ATOM 0 HB2 SER A 96 8.203 34.543 22.715 1.00 2.34 H new ATOM 0 HB3 SER A 96 6.473 34.293 22.834 1.00 2.34 H new ATOM 0 HG SER A 96 7.465 34.564 24.912 1.00 22.33 H new ATOM 1508 N ARG A 97 8.755 31.690 20.392 1.00 10.43 N ATOM 1509 CA ARG A 97 9.331 31.769 19.056 1.00 34.23 C ATOM 1510 C ARG A 97 9.344 30.398 18.387 1.00 63.11 C ATOM 1511 O ARG A 97 9.248 29.359 19.042 1.00 32.21 O ATOM 1512 CB ARG A 97 10.755 32.328 19.124 1.00 52.52 C ATOM 1513 CG ARG A 97 10.848 33.800 18.761 1.00 35.14 C ATOM 1514 CD ARG A 97 12.184 34.129 18.112 1.00 23.44 C ATOM 1515 NE ARG A 97 13.250 34.280 19.099 1.00 72.53 N ATOM 1516 CZ ARG A 97 14.466 34.726 18.804 1.00 33.52 C ATOM 1517 NH1 ARG A 97 14.768 35.066 17.558 1.00 11.42 N ATOM 1518 NH2 ARG A 97 15.383 34.836 19.757 1.00 1.50 N ATOM 0 H ARG A 97 8.866 30.783 20.846 1.00 10.43 H new ATOM 0 HA ARG A 97 8.712 32.439 18.460 1.00 34.23 H new ATOM 0 HB2 ARG A 97 11.145 32.186 20.132 1.00 52.52 H new ATOM 0 HB3 ARG A 97 11.394 31.755 18.452 1.00 52.52 H new ATOM 0 HG2 ARG A 97 10.037 34.060 18.080 1.00 35.14 H new ATOM 0 HG3 ARG A 97 10.718 34.406 19.658 1.00 35.14 H new ATOM 0 HD2 ARG A 97 12.450 33.339 17.409 1.00 23.44 H new ATOM 0 HD3 ARG A 97 12.090 35.050 17.536 1.00 23.44 H new ATOM 0 HE ARG A 97 13.050 34.029 20.067 1.00 72.53 H new ATOM 0 HH11 ARG A 97 14.066 34.985 16.823 1.00 11.42 H new ATOM 0 HH12 ARG A 97 15.703 35.408 17.335 1.00 11.42 H new ATOM 0 HH21 ARG A 97 15.154 34.578 20.717 1.00 1.50 H new ATOM 0 HH22 ARG A 97 16.316 35.179 19.529 1.00 1.50 H new ATOM 1532 N PRO A 98 9.463 30.392 17.051 1.00 13.22 N ATOM 1533 CA PRO A 98 9.490 29.155 16.264 1.00 30.32 C ATOM 1534 C PRO A 98 10.772 28.359 16.480 1.00 15.33 C ATOM 1535 O PRO A 98 11.857 28.929 16.603 1.00 41.34 O ATOM 1536 CB PRO A 98 9.407 29.654 14.819 1.00 55.23 C ATOM 1537 CG PRO A 98 9.961 31.036 14.861 1.00 50.31 C ATOM 1538 CD PRO A 98 9.582 31.592 16.206 1.00 62.20 C ATOM 0 HA PRO A 98 8.684 28.476 16.542 1.00 30.32 H new ATOM 0 HB2 PRO A 98 9.983 29.017 14.147 1.00 55.23 H new ATOM 0 HB3 PRO A 98 8.379 29.651 14.458 1.00 55.23 H new ATOM 0 HG2 PRO A 98 11.043 31.027 14.733 1.00 50.31 H new ATOM 0 HG3 PRO A 98 9.550 31.646 14.056 1.00 50.31 H new ATOM 0 HD2 PRO A 98 10.340 32.277 16.586 1.00 62.20 H new ATOM 0 HD3 PRO A 98 8.645 32.147 16.162 1.00 62.20 H new ATOM 1546 N VAL A 99 10.642 27.037 16.526 1.00 40.23 N ATOM 1547 CA VAL A 99 11.790 26.161 16.725 1.00 11.30 C ATOM 1548 C VAL A 99 11.941 25.179 15.570 1.00 44.44 C ATOM 1549 O VAL A 99 10.952 24.763 14.963 1.00 35.51 O ATOM 1550 CB VAL A 99 11.672 25.372 18.043 1.00 32.14 C ATOM 1551 CG1 VAL A 99 12.956 24.608 18.325 1.00 72.21 C ATOM 1552 CG2 VAL A 99 11.335 26.307 19.195 1.00 65.41 C ATOM 0 H VAL A 99 9.752 26.549 16.428 1.00 40.23 H new ATOM 0 HA VAL A 99 12.671 26.801 16.770 1.00 11.30 H new ATOM 0 HB VAL A 99 10.862 24.649 17.942 1.00 32.14 H new ATOM 0 HG11 VAL A 99 12.854 24.057 19.260 1.00 72.21 H new ATOM 0 HG12 VAL A 99 13.150 23.909 17.511 1.00 72.21 H new ATOM 0 HG13 VAL A 99 13.786 25.309 18.406 1.00 72.21 H new ATOM 0 HG21 VAL A 99 11.255 25.733 20.118 1.00 65.41 H new ATOM 0 HG22 VAL A 99 12.122 27.054 19.299 1.00 65.41 H new ATOM 0 HG23 VAL A 99 10.386 26.804 18.994 1.00 65.41 H new ATOM 1562 N ILE A 100 13.181 24.812 15.270 1.00 50.54 N ATOM 1563 CA ILE A 100 13.460 23.876 14.187 1.00 20.31 C ATOM 1564 C ILE A 100 13.991 22.552 14.727 1.00 23.14 C ATOM 1565 O ILE A 100 13.677 21.485 14.201 1.00 74.10 O ATOM 1566 CB ILE A 100 14.481 24.456 13.190 1.00 2.35 C ATOM 1567 CG1 ILE A 100 15.691 25.022 13.937 1.00 24.10 C ATOM 1568 CG2 ILE A 100 13.831 25.531 12.332 1.00 25.25 C ATOM 1569 CD1 ILE A 100 16.750 25.597 13.023 1.00 61.42 C ATOM 0 H ILE A 100 14.009 25.148 15.761 1.00 50.54 H new ATOM 0 HA ILE A 100 12.516 23.703 13.670 1.00 20.31 H new ATOM 0 HB ILE A 100 14.824 23.654 12.536 1.00 2.35 H new ATOM 0 HG12 ILE A 100 15.354 25.799 14.623 1.00 24.10 H new ATOM 0 HG13 ILE A 100 16.135 24.233 14.543 1.00 24.10 H new ATOM 0 HG21 ILE A 100 14.565 25.931 11.633 1.00 25.25 H new ATOM 0 HG22 ILE A 100 12.998 25.099 11.777 1.00 25.25 H new ATOM 0 HG23 ILE A 100 13.463 26.334 12.971 1.00 25.25 H new ATOM 0 HD11 ILE A 100 17.577 25.980 13.620 1.00 61.42 H new ATOM 0 HD12 ILE A 100 17.115 24.818 12.354 1.00 61.42 H new ATOM 0 HD13 ILE A 100 16.321 26.408 12.435 1.00 61.42 H new ATOM 1581 N ALA A 101 14.794 22.630 15.783 1.00 51.34 N ATOM 1582 CA ALA A 101 15.366 21.437 16.397 1.00 2.23 C ATOM 1583 C ALA A 101 15.295 21.516 17.919 1.00 31.30 C ATOM 1584 O ALA A 101 15.412 22.596 18.500 1.00 4.01 O ATOM 1585 CB ALA A 101 16.805 21.248 15.944 1.00 73.44 C ATOM 0 H ALA A 101 15.063 23.506 16.231 1.00 51.34 H new ATOM 0 HA ALA A 101 14.780 20.576 16.075 1.00 2.23 H new ATOM 0 HB1 ALA A 101 17.219 20.354 16.410 1.00 73.44 H new ATOM 0 HB2 ALA A 101 16.834 21.138 14.860 1.00 73.44 H new ATOM 0 HB3 ALA A 101 17.396 22.116 16.237 1.00 73.44 H new ATOM 1591 N CYS A 102 15.102 20.368 18.558 1.00 72.34 N ATOM 1592 CA CYS A 102 15.014 20.308 20.012 1.00 50.30 C ATOM 1593 C CYS A 102 15.768 19.097 20.552 1.00 4.31 C ATOM 1594 O CYS A 102 16.130 18.192 19.801 1.00 44.54 O ATOM 1595 CB CYS A 102 13.551 20.252 20.453 1.00 52.42 C ATOM 1596 SG CYS A 102 12.493 21.488 19.665 1.00 30.43 S ATOM 0 H CYS A 102 15.003 19.466 18.092 1.00 72.34 H new ATOM 0 HA CYS A 102 15.473 21.210 20.417 1.00 50.30 H new ATOM 0 HB2 CYS A 102 13.155 19.260 20.236 1.00 52.42 H new ATOM 0 HB3 CYS A 102 13.503 20.385 21.534 1.00 52.42 H new ATOM 0 HG CYS A 102 11.525 21.809 20.472 1.00 30.43 H new ATOM 1602 N SER A 103 16.004 19.088 21.861 1.00 22.12 N ATOM 1603 CA SER A 103 16.719 17.992 22.501 1.00 14.44 C ATOM 1604 C SER A 103 16.262 17.815 23.946 1.00 24.25 C ATOM 1605 O SER A 103 15.816 18.765 24.589 1.00 25.31 O ATOM 1606 CB SER A 103 18.228 18.246 22.460 1.00 43.23 C ATOM 1607 OG SER A 103 18.874 17.340 21.583 1.00 43.35 O ATOM 0 H SER A 103 15.710 19.828 22.498 1.00 22.12 H new ATOM 0 HA SER A 103 16.496 17.077 21.952 1.00 14.44 H new ATOM 0 HB2 SER A 103 18.419 19.269 22.136 1.00 43.23 H new ATOM 0 HB3 SER A 103 18.644 18.146 23.462 1.00 43.23 H new ATOM 0 HG SER A 103 19.836 17.524 21.573 1.00 43.35 H new ATOM 1613 N VAL A 104 16.377 16.591 24.451 1.00 61.03 N ATOM 1614 CA VAL A 104 15.977 16.287 25.820 1.00 61.33 C ATOM 1615 C VAL A 104 17.063 15.504 26.549 1.00 11.30 C ATOM 1616 O VAL A 104 17.418 14.394 26.148 1.00 11.53 O ATOM 1617 CB VAL A 104 14.665 15.482 25.856 1.00 72.22 C ATOM 1618 CG1 VAL A 104 14.282 15.148 27.290 1.00 75.55 C ATOM 1619 CG2 VAL A 104 13.550 16.249 25.162 1.00 61.04 C ATOM 0 H VAL A 104 16.744 15.793 23.932 1.00 61.03 H new ATOM 0 HA VAL A 104 15.822 17.241 26.324 1.00 61.33 H new ATOM 0 HB VAL A 104 14.819 14.546 25.319 1.00 72.22 H new ATOM 0 HG11 VAL A 104 13.352 14.579 27.295 1.00 75.55 H new ATOM 0 HG12 VAL A 104 15.073 14.555 27.749 1.00 75.55 H new ATOM 0 HG13 VAL A 104 14.146 16.070 27.855 1.00 75.55 H new ATOM 0 HG21 VAL A 104 12.630 15.665 25.197 1.00 61.04 H new ATOM 0 HG22 VAL A 104 13.394 17.202 25.668 1.00 61.04 H new ATOM 0 HG23 VAL A 104 13.825 16.430 24.123 1.00 61.04 H new ATOM 1629 N THR A 105 17.587 16.087 27.622 1.00 63.21 N ATOM 1630 CA THR A 105 18.633 15.444 28.407 1.00 1.44 C ATOM 1631 C THR A 105 18.037 14.521 29.464 1.00 15.33 C ATOM 1632 O THR A 105 17.276 14.959 30.327 1.00 1.34 O ATOM 1633 CB THR A 105 19.535 16.483 29.099 1.00 3.32 C ATOM 1634 OG1 THR A 105 18.731 17.468 29.758 1.00 31.33 O ATOM 1635 CG2 THR A 105 20.452 17.160 28.092 1.00 70.34 C ATOM 0 H THR A 105 17.304 17.004 27.968 1.00 63.21 H new ATOM 0 HA THR A 105 19.234 14.857 27.713 1.00 1.44 H new ATOM 0 HB THR A 105 20.150 15.965 29.835 1.00 3.32 H new ATOM 0 HG1 THR A 105 18.773 17.330 30.727 1.00 31.33 H new ATOM 0 HG21 THR A 105 21.079 17.890 28.604 1.00 70.34 H new ATOM 0 HG22 THR A 105 21.083 16.411 27.614 1.00 70.34 H new ATOM 0 HG23 THR A 105 19.852 17.665 27.335 1.00 70.34 H new ATOM 1643 N ILE A 106 18.390 13.242 29.392 1.00 50.33 N ATOM 1644 CA ILE A 106 17.891 12.257 30.343 1.00 12.45 C ATOM 1645 C ILE A 106 18.370 12.568 31.757 1.00 11.44 C ATOM 1646 O ILE A 106 19.464 13.099 31.953 1.00 43.35 O ATOM 1647 CB ILE A 106 18.335 10.832 29.966 1.00 72.14 C ATOM 1648 CG1 ILE A 106 17.640 9.803 30.859 1.00 1.24 C ATOM 1649 CG2 ILE A 106 19.847 10.702 30.076 1.00 73.30 C ATOM 1650 CD1 ILE A 106 17.858 8.373 30.416 1.00 3.23 C ATOM 0 H ILE A 106 19.020 12.864 28.685 1.00 50.33 H new ATOM 0 HA ILE A 106 16.803 12.310 30.309 1.00 12.45 H new ATOM 0 HB ILE A 106 18.047 10.640 28.932 1.00 72.14 H new ATOM 0 HG12 ILE A 106 18.002 9.917 31.881 1.00 1.24 H new ATOM 0 HG13 ILE A 106 16.570 10.011 30.874 1.00 1.24 H new ATOM 0 HG21 ILE A 106 20.146 9.689 29.806 1.00 73.30 H new ATOM 0 HG22 ILE A 106 20.323 11.413 29.401 1.00 73.30 H new ATOM 0 HG23 ILE A 106 20.157 10.911 31.100 1.00 73.30 H new ATOM 0 HD11 ILE A 106 17.337 7.698 31.095 1.00 3.23 H new ATOM 0 HD12 ILE A 106 17.470 8.242 29.406 1.00 3.23 H new ATOM 0 HD13 ILE A 106 18.924 8.147 30.428 1.00 3.23 H new ATOM 1662 N LYS A 107 17.544 12.233 32.744 1.00 24.44 N ATOM 1663 CA LYS A 107 17.882 12.474 34.141 1.00 71.30 C ATOM 1664 C LYS A 107 18.125 11.159 34.876 1.00 4.04 C ATOM 1665 O LYS A 107 17.182 10.445 35.216 1.00 72.25 O ATOM 1666 CB LYS A 107 16.763 13.258 34.831 1.00 54.14 C ATOM 1667 CG LYS A 107 17.156 13.809 36.191 1.00 43.15 C ATOM 1668 CD LYS A 107 17.543 15.276 36.106 1.00 11.25 C ATOM 1669 CE LYS A 107 18.086 15.785 37.433 1.00 23.44 C ATOM 1670 NZ LYS A 107 18.545 17.200 37.337 1.00 3.01 N ATOM 0 H LYS A 107 16.635 11.793 32.601 1.00 24.44 H new ATOM 0 HA LYS A 107 18.799 13.062 34.171 1.00 71.30 H new ATOM 0 HB2 LYS A 107 16.459 14.084 34.188 1.00 54.14 H new ATOM 0 HB3 LYS A 107 15.895 12.609 34.948 1.00 54.14 H new ATOM 0 HG2 LYS A 107 16.325 13.690 36.887 1.00 43.15 H new ATOM 0 HG3 LYS A 107 17.991 13.234 36.590 1.00 43.15 H new ATOM 0 HD2 LYS A 107 18.294 15.411 35.328 1.00 11.25 H new ATOM 0 HD3 LYS A 107 16.674 15.867 35.816 1.00 11.25 H new ATOM 0 HE2 LYS A 107 17.313 15.705 38.197 1.00 23.44 H new ATOM 0 HE3 LYS A 107 18.916 15.154 37.752 1.00 23.44 H new ATOM 0 HZ1 LYS A 107 18.908 17.511 38.261 1.00 3.01 H new ATOM 0 HZ2 LYS A 107 19.301 17.272 36.626 1.00 3.01 H new ATOM 0 HZ3 LYS A 107 17.747 17.806 37.057 1.00 3.01 H new ATOM 1684 N GLU A 108 19.394 10.847 35.119 1.00 3.33 N ATOM 1685 CA GLU A 108 19.759 9.619 35.815 1.00 42.23 C ATOM 1686 C GLU A 108 19.142 9.580 37.210 1.00 43.12 C ATOM 1687 O GLU A 108 19.392 10.456 38.035 1.00 53.40 O ATOM 1688 CB GLU A 108 21.280 9.495 35.915 1.00 70.44 C ATOM 1689 CG GLU A 108 21.841 8.282 35.191 1.00 0.33 C ATOM 1690 CD GLU A 108 23.357 8.232 35.225 1.00 63.34 C ATOM 1691 OE1 GLU A 108 23.936 8.513 36.295 1.00 45.54 O ATOM 1692 OE2 GLU A 108 23.963 7.913 34.180 1.00 11.43 O ATOM 0 H GLU A 108 20.186 11.428 34.844 1.00 3.33 H new ATOM 0 HA GLU A 108 19.370 8.778 35.241 1.00 42.23 H new ATOM 0 HB2 GLU A 108 21.737 10.396 35.505 1.00 70.44 H new ATOM 0 HB3 GLU A 108 21.564 9.443 36.966 1.00 70.44 H new ATOM 0 HG2 GLU A 108 21.441 7.375 35.645 1.00 0.33 H new ATOM 0 HG3 GLU A 108 21.505 8.295 34.154 1.00 0.33 H new ATOM 1699 N GLY A 109 18.332 8.556 37.463 1.00 11.03 N ATOM 1700 CA GLY A 109 17.691 8.421 38.759 1.00 21.01 C ATOM 1701 C GLY A 109 16.427 9.251 38.869 1.00 61.20 C ATOM 1702 O GLY A 109 16.277 10.045 39.797 1.00 63.02 O ATOM 0 H GLY A 109 18.108 7.818 36.795 1.00 11.03 H new ATOM 0 HA2 GLY A 109 17.450 7.373 38.934 1.00 21.01 H new ATOM 0 HA3 GLY A 109 18.389 8.723 39.540 1.00 21.01 H new ATOM 1706 N SER A 110 15.516 9.068 37.919 1.00 62.11 N ATOM 1707 CA SER A 110 14.260 9.810 37.909 1.00 34.13 C ATOM 1708 C SER A 110 13.150 8.992 37.257 1.00 72.44 C ATOM 1709 O SER A 110 13.416 8.051 36.510 1.00 14.33 O ATOM 1710 CB SER A 110 14.434 11.138 37.171 1.00 61.24 C ATOM 1711 OG SER A 110 14.477 12.225 38.078 1.00 64.03 O ATOM 0 H SER A 110 15.624 8.412 37.146 1.00 62.11 H new ATOM 0 HA SER A 110 13.977 10.012 38.942 1.00 34.13 H new ATOM 0 HB2 SER A 110 15.352 11.114 36.584 1.00 61.24 H new ATOM 0 HB3 SER A 110 13.611 11.278 36.470 1.00 61.24 H new ATOM 0 HG SER A 110 13.808 12.893 37.820 1.00 64.03 H new ATOM 1717 N GLN A 111 11.906 9.359 37.544 1.00 21.01 N ATOM 1718 CA GLN A 111 10.755 8.659 36.986 1.00 62.13 C ATOM 1719 C GLN A 111 10.659 8.884 35.481 1.00 42.03 C ATOM 1720 O GLN A 111 10.114 8.053 34.752 1.00 31.42 O ATOM 1721 CB GLN A 111 9.468 9.127 37.667 1.00 23.43 C ATOM 1722 CG GLN A 111 9.213 10.620 37.527 1.00 74.02 C ATOM 1723 CD GLN A 111 8.125 11.116 38.458 1.00 45.23 C ATOM 1724 OE1 GLN A 111 8.348 12.014 39.269 1.00 21.20 O ATOM 1725 NE2 GLN A 111 6.937 10.531 38.347 1.00 72.23 N ATOM 0 H GLN A 111 11.669 10.137 38.160 1.00 21.01 H new ATOM 0 HA GLN A 111 10.886 7.592 37.168 1.00 62.13 H new ATOM 0 HB2 GLN A 111 8.624 8.582 37.244 1.00 23.43 H new ATOM 0 HB3 GLN A 111 9.514 8.872 38.726 1.00 23.43 H new ATOM 0 HG2 GLN A 111 10.136 11.163 37.731 1.00 74.02 H new ATOM 0 HG3 GLN A 111 8.934 10.842 36.497 1.00 74.02 H new ATOM 0 HE21 GLN A 111 6.796 9.790 37.661 1.00 72.23 H new ATOM 0 HE22 GLN A 111 6.167 10.823 38.948 1.00 72.23 H new ATOM 1734 N LEU A 112 11.190 10.012 35.021 1.00 73.44 N ATOM 1735 CA LEU A 112 11.164 10.346 33.601 1.00 11.22 C ATOM 1736 C LEU A 112 11.799 9.236 32.768 1.00 31.45 C ATOM 1737 O LEU A 112 11.438 9.031 31.610 1.00 43.52 O ATOM 1738 CB LEU A 112 11.897 11.666 33.355 1.00 3.11 C ATOM 1739 CG LEU A 112 11.033 12.832 32.870 1.00 15.10 C ATOM 1740 CD1 LEU A 112 11.894 14.057 32.598 1.00 54.44 C ATOM 1741 CD2 LEU A 112 10.256 12.437 31.623 1.00 1.51 C ATOM 0 H LEU A 112 11.643 10.710 35.610 1.00 73.44 H new ATOM 0 HA LEU A 112 10.123 10.452 33.297 1.00 11.22 H new ATOM 0 HB2 LEU A 112 12.388 11.964 34.281 1.00 3.11 H new ATOM 0 HB3 LEU A 112 12.682 11.491 32.620 1.00 3.11 H new ATOM 0 HG LEU A 112 10.319 13.082 33.655 1.00 15.10 H new ATOM 0 HD11 LEU A 112 11.263 14.876 32.254 1.00 54.44 H new ATOM 0 HD12 LEU A 112 12.405 14.353 33.514 1.00 54.44 H new ATOM 0 HD13 LEU A 112 12.631 13.820 31.831 1.00 54.44 H new ATOM 0 HD21 LEU A 112 9.647 13.278 31.292 1.00 1.51 H new ATOM 0 HD22 LEU A 112 10.953 12.161 30.832 1.00 1.51 H new ATOM 0 HD23 LEU A 112 9.610 11.589 31.850 1.00 1.51 H new ATOM 1753 N LYS A 113 12.746 8.523 33.367 1.00 12.22 N ATOM 1754 CA LYS A 113 13.429 7.431 32.683 1.00 73.11 C ATOM 1755 C LYS A 113 12.426 6.447 32.091 1.00 61.30 C ATOM 1756 O LYS A 113 12.698 5.805 31.077 1.00 61.11 O ATOM 1757 CB LYS A 113 14.365 6.702 33.650 1.00 21.02 C ATOM 1758 CG LYS A 113 13.639 5.818 34.649 1.00 4.52 C ATOM 1759 CD LYS A 113 13.530 4.387 34.151 1.00 40.23 C ATOM 1760 CE LYS A 113 14.336 3.432 35.018 1.00 40.24 C ATOM 1761 NZ LYS A 113 13.514 2.851 36.116 1.00 42.12 N ATOM 0 H LYS A 113 13.058 8.681 34.325 1.00 12.22 H new ATOM 0 HA LYS A 113 14.017 7.857 31.870 1.00 73.11 H new ATOM 0 HB2 LYS A 113 15.062 6.091 33.076 1.00 21.02 H new ATOM 0 HB3 LYS A 113 14.958 7.438 34.193 1.00 21.02 H new ATOM 0 HG2 LYS A 113 14.168 5.833 35.602 1.00 4.52 H new ATOM 0 HG3 LYS A 113 12.642 6.217 34.832 1.00 4.52 H new ATOM 0 HD2 LYS A 113 12.484 4.081 34.146 1.00 40.23 H new ATOM 0 HD3 LYS A 113 13.883 4.331 33.121 1.00 40.23 H new ATOM 0 HE2 LYS A 113 14.735 2.628 34.399 1.00 40.24 H new ATOM 0 HE3 LYS A 113 15.189 3.960 35.444 1.00 40.24 H new ATOM 0 HZ1 LYS A 113 14.100 2.206 36.684 1.00 42.12 H new ATOM 0 HZ2 LYS A 113 13.154 3.616 36.722 1.00 42.12 H new ATOM 0 HZ3 LYS A 113 12.714 2.325 35.710 1.00 42.12 H new ATOM 1775 N GLN A 114 11.265 6.336 32.729 1.00 54.11 N ATOM 1776 CA GLN A 114 10.222 5.430 32.264 1.00 32.32 C ATOM 1777 C GLN A 114 9.423 6.059 31.126 1.00 35.02 C ATOM 1778 O GLN A 114 8.966 5.365 30.219 1.00 12.30 O ATOM 1779 CB GLN A 114 9.287 5.061 33.416 1.00 41.30 C ATOM 1780 CG GLN A 114 8.144 4.146 33.003 1.00 35.04 C ATOM 1781 CD GLN A 114 7.953 2.984 33.959 1.00 30.53 C ATOM 1782 OE1 GLN A 114 7.035 2.985 34.779 1.00 34.24 O ATOM 1783 NE2 GLN A 114 8.822 1.985 33.857 1.00 63.34 N ATOM 0 H GLN A 114 11.023 6.862 33.569 1.00 54.11 H new ATOM 0 HA GLN A 114 10.701 4.525 31.891 1.00 32.32 H new ATOM 0 HB2 GLN A 114 9.866 4.574 34.201 1.00 41.30 H new ATOM 0 HB3 GLN A 114 8.874 5.974 33.844 1.00 41.30 H new ATOM 0 HG2 GLN A 114 7.221 4.724 32.951 1.00 35.04 H new ATOM 0 HG3 GLN A 114 8.336 3.760 32.002 1.00 35.04 H new ATOM 0 HE21 GLN A 114 9.568 2.027 33.162 1.00 63.34 H new ATOM 0 HE22 GLN A 114 8.744 1.176 34.473 1.00 63.34 H new ATOM 1792 N GLN A 115 9.259 7.377 31.184 1.00 50.03 N ATOM 1793 CA GLN A 115 8.515 8.098 30.158 1.00 45.54 C ATOM 1794 C GLN A 115 9.303 8.161 28.855 1.00 72.32 C ATOM 1795 O GLN A 115 8.830 7.716 27.808 1.00 12.34 O ATOM 1796 CB GLN A 115 8.185 9.513 30.637 1.00 34.14 C ATOM 1797 CG GLN A 115 6.992 9.574 31.577 1.00 21.31 C ATOM 1798 CD GLN A 115 5.844 10.386 31.010 1.00 40.44 C ATOM 1799 OE1 GLN A 115 5.113 9.919 30.135 1.00 65.31 O ATOM 1800 NE2 GLN A 115 5.677 11.605 31.506 1.00 30.32 N ATOM 0 H GLN A 115 9.631 7.966 31.929 1.00 50.03 H new ATOM 0 HA GLN A 115 7.586 7.558 29.973 1.00 45.54 H new ATOM 0 HB2 GLN A 115 9.057 9.929 31.142 1.00 34.14 H new ATOM 0 HB3 GLN A 115 7.987 10.144 29.771 1.00 34.14 H new ATOM 0 HG2 GLN A 115 6.647 8.561 31.787 1.00 21.31 H new ATOM 0 HG3 GLN A 115 7.304 10.008 32.527 1.00 21.31 H new ATOM 0 HE21 GLN A 115 6.306 11.952 32.230 1.00 30.32 H new ATOM 0 HE22 GLN A 115 4.919 12.196 31.163 1.00 30.32 H new ATOM 1809 N ILE A 116 10.509 8.715 28.925 1.00 23.34 N ATOM 1810 CA ILE A 116 11.363 8.836 27.751 1.00 75.33 C ATOM 1811 C ILE A 116 11.622 7.473 27.117 1.00 41.23 C ATOM 1812 O ILE A 116 11.505 7.310 25.902 1.00 22.14 O ATOM 1813 CB ILE A 116 12.713 9.490 28.101 1.00 64.11 C ATOM 1814 CG1 ILE A 116 12.490 10.877 28.708 1.00 14.41 C ATOM 1815 CG2 ILE A 116 13.594 9.584 26.863 1.00 5.41 C ATOM 1816 CD1 ILE A 116 13.714 11.439 29.395 1.00 13.32 C ATOM 0 H ILE A 116 10.916 9.087 29.783 1.00 23.34 H new ATOM 0 HA ILE A 116 10.834 9.471 27.041 1.00 75.33 H new ATOM 0 HB ILE A 116 13.221 8.868 28.838 1.00 64.11 H new ATOM 0 HG12 ILE A 116 12.178 11.563 27.921 1.00 14.41 H new ATOM 0 HG13 ILE A 116 11.672 10.823 29.427 1.00 14.41 H new ATOM 0 HG21 ILE A 116 14.544 10.048 27.127 1.00 5.41 H new ATOM 0 HG22 ILE A 116 13.776 8.584 26.469 1.00 5.41 H new ATOM 0 HG23 ILE A 116 13.094 10.187 26.105 1.00 5.41 H new ATOM 0 HD11 ILE A 116 13.483 12.424 29.802 1.00 13.32 H new ATOM 0 HD12 ILE A 116 14.015 10.774 30.204 1.00 13.32 H new ATOM 0 HD13 ILE A 116 14.528 11.525 28.675 1.00 13.32 H new ATOM 1828 N GLN A 117 11.972 6.496 27.948 1.00 45.21 N ATOM 1829 CA GLN A 117 12.245 5.147 27.469 1.00 74.34 C ATOM 1830 C GLN A 117 11.024 4.560 26.768 1.00 12.25 C ATOM 1831 O GLN A 117 11.129 4.012 25.672 1.00 72.14 O ATOM 1832 CB GLN A 117 12.664 4.245 28.631 1.00 53.40 C ATOM 1833 CG GLN A 117 12.845 2.788 28.237 1.00 2.23 C ATOM 1834 CD GLN A 117 13.648 2.003 29.256 1.00 2.23 C ATOM 1835 OE1 GLN A 117 14.671 2.474 29.754 1.00 24.01 O ATOM 1836 NE2 GLN A 117 13.186 0.799 29.572 1.00 72.42 N ATOM 0 H GLN A 117 12.073 6.614 28.956 1.00 45.21 H new ATOM 0 HA GLN A 117 13.062 5.203 26.749 1.00 74.34 H new ATOM 0 HB2 GLN A 117 13.598 4.618 29.051 1.00 53.40 H new ATOM 0 HB3 GLN A 117 11.913 4.309 29.418 1.00 53.40 H new ATOM 0 HG2 GLN A 117 11.866 2.324 28.116 1.00 2.23 H new ATOM 0 HG3 GLN A 117 13.344 2.737 27.269 1.00 2.23 H new ATOM 0 HE21 GLN A 117 12.334 0.449 29.134 1.00 72.42 H new ATOM 0 HE22 GLN A 117 13.683 0.224 30.252 1.00 72.42 H new ATOM 1845 N SER A 118 9.865 4.678 27.411 1.00 32.54 N ATOM 1846 CA SER A 118 8.625 4.156 26.851 1.00 4.02 C ATOM 1847 C SER A 118 8.415 4.662 25.427 1.00 12.21 C ATOM 1848 O SER A 118 8.175 3.879 24.509 1.00 43.25 O ATOM 1849 CB SER A 118 7.437 4.558 27.728 1.00 64.45 C ATOM 1850 OG SER A 118 6.253 4.680 26.957 1.00 12.12 O ATOM 0 H SER A 118 9.760 5.130 28.319 1.00 32.54 H new ATOM 0 HA SER A 118 8.697 3.069 26.824 1.00 4.02 H new ATOM 0 HB2 SER A 118 7.290 3.814 28.511 1.00 64.45 H new ATOM 0 HB3 SER A 118 7.651 5.505 28.224 1.00 64.45 H new ATOM 0 HG SER A 118 5.508 4.936 27.540 1.00 12.12 H new ATOM 1856 N ILE A 119 8.509 5.976 25.254 1.00 73.40 N ATOM 1857 CA ILE A 119 8.332 6.586 23.942 1.00 4.03 C ATOM 1858 C ILE A 119 9.488 6.237 23.012 1.00 63.53 C ATOM 1859 O ILE A 119 9.307 6.117 21.800 1.00 51.21 O ATOM 1860 CB ILE A 119 8.216 8.119 24.046 1.00 42.43 C ATOM 1861 CG1 ILE A 119 7.046 8.503 24.953 1.00 24.13 C ATOM 1862 CG2 ILE A 119 8.047 8.732 22.664 1.00 44.01 C ATOM 1863 CD1 ILE A 119 6.874 9.997 25.117 1.00 32.24 C ATOM 0 H ILE A 119 8.706 6.638 26.005 1.00 73.40 H new ATOM 0 HA ILE A 119 7.405 6.186 23.530 1.00 4.03 H new ATOM 0 HB ILE A 119 9.134 8.510 24.485 1.00 42.43 H new ATOM 0 HG12 ILE A 119 6.127 8.082 24.545 1.00 24.13 H new ATOM 0 HG13 ILE A 119 7.194 8.053 25.934 1.00 24.13 H new ATOM 0 HG21 ILE A 119 7.966 9.815 22.754 1.00 44.01 H new ATOM 0 HG22 ILE A 119 8.910 8.482 22.047 1.00 44.01 H new ATOM 0 HG23 ILE A 119 7.143 8.338 22.199 1.00 44.01 H new ATOM 0 HD11 ILE A 119 6.026 10.196 25.773 1.00 32.24 H new ATOM 0 HD12 ILE A 119 7.778 10.422 25.554 1.00 32.24 H new ATOM 0 HD13 ILE A 119 6.694 10.452 24.143 1.00 32.24 H new ATOM 1875 N GLN A 120 10.674 6.074 23.586 1.00 32.43 N ATOM 1876 CA GLN A 120 11.860 5.737 22.807 1.00 50.31 C ATOM 1877 C GLN A 120 11.603 4.521 21.923 1.00 5.12 C ATOM 1878 O GLN A 120 11.929 4.527 20.736 1.00 61.24 O ATOM 1879 CB GLN A 120 13.045 5.465 23.735 1.00 21.23 C ATOM 1880 CG GLN A 120 14.329 6.155 23.303 1.00 65.43 C ATOM 1881 CD GLN A 120 14.871 7.096 24.360 1.00 32.02 C ATOM 1882 OE1 GLN A 120 14.481 8.261 24.431 1.00 3.35 O ATOM 1883 NE2 GLN A 120 15.778 6.593 25.190 1.00 4.04 N ATOM 0 H GLN A 120 10.840 6.170 24.588 1.00 32.43 H new ATOM 0 HA GLN A 120 12.096 6.586 22.166 1.00 50.31 H new ATOM 0 HB2 GLN A 120 12.789 5.792 24.743 1.00 21.23 H new ATOM 0 HB3 GLN A 120 13.219 4.390 23.783 1.00 21.23 H new ATOM 0 HG2 GLN A 120 15.082 5.401 23.073 1.00 65.43 H new ATOM 0 HG3 GLN A 120 14.146 6.713 22.385 1.00 65.43 H new ATOM 0 HE21 GLN A 120 16.073 5.621 25.095 1.00 4.04 H new ATOM 0 HE22 GLN A 120 16.180 7.179 25.922 1.00 4.04 H new ATOM 1892 N GLN A 121 11.017 3.483 22.509 1.00 43.12 N ATOM 1893 CA GLN A 121 10.718 2.259 21.773 1.00 25.15 C ATOM 1894 C GLN A 121 9.943 2.569 20.496 1.00 52.22 C ATOM 1895 O GLN A 121 10.056 1.854 19.501 1.00 41.11 O ATOM 1896 CB GLN A 121 9.916 1.296 22.649 1.00 0.50 C ATOM 1897 CG GLN A 121 10.656 0.007 22.970 1.00 45.22 C ATOM 1898 CD GLN A 121 10.764 -0.917 21.772 1.00 31.14 C ATOM 1899 OE1 GLN A 121 10.520 -0.511 20.636 1.00 13.33 O ATOM 1900 NE2 GLN A 121 11.132 -2.168 22.021 1.00 53.51 N ATOM 0 H GLN A 121 10.740 3.464 23.490 1.00 43.12 H new ATOM 0 HA GLN A 121 11.662 1.789 21.499 1.00 25.15 H new ATOM 0 HB2 GLN A 121 9.655 1.797 23.581 1.00 0.50 H new ATOM 0 HB3 GLN A 121 8.981 1.053 22.145 1.00 0.50 H new ATOM 0 HG2 GLN A 121 11.656 0.247 23.331 1.00 45.22 H new ATOM 0 HG3 GLN A 121 10.141 -0.511 23.779 1.00 45.22 H new ATOM 0 HE21 GLN A 121 11.325 -2.462 22.979 1.00 53.51 H new ATOM 0 HE22 GLN A 121 11.222 -2.835 21.255 1.00 53.51 H new ATOM 1909 N SER A 122 9.155 3.639 20.532 1.00 4.13 N ATOM 1910 CA SER A 122 8.357 4.040 19.379 1.00 0.03 C ATOM 1911 C SER A 122 9.235 4.681 18.309 1.00 10.12 C ATOM 1912 O SER A 122 9.016 4.486 17.113 1.00 33.34 O ATOM 1913 CB SER A 122 7.259 5.017 19.807 1.00 53.44 C ATOM 1914 OG SER A 122 7.588 6.345 19.441 1.00 11.15 O ATOM 0 H SER A 122 9.052 4.244 21.347 1.00 4.13 H new ATOM 0 HA SER A 122 7.895 3.147 18.959 1.00 0.03 H new ATOM 0 HB2 SER A 122 6.314 4.732 19.344 1.00 53.44 H new ATOM 0 HB3 SER A 122 7.116 4.959 20.886 1.00 53.44 H new ATOM 0 HG SER A 122 8.230 6.712 20.084 1.00 11.15 H new ATOM 1920 N ILE A 123 10.228 5.447 18.747 1.00 20.24 N ATOM 1921 CA ILE A 123 11.139 6.116 17.828 1.00 34.44 C ATOM 1922 C ILE A 123 11.871 5.108 16.949 1.00 53.21 C ATOM 1923 O ILE A 123 11.965 5.282 15.734 1.00 5.43 O ATOM 1924 CB ILE A 123 12.176 6.969 18.583 1.00 51.02 C ATOM 1925 CG1 ILE A 123 11.472 7.980 19.491 1.00 24.50 C ATOM 1926 CG2 ILE A 123 13.095 7.680 17.600 1.00 3.24 C ATOM 1927 CD1 ILE A 123 12.424 8.795 20.340 1.00 42.24 C ATOM 0 H ILE A 123 10.422 5.620 19.733 1.00 20.24 H new ATOM 0 HA ILE A 123 10.531 6.768 17.201 1.00 34.44 H new ATOM 0 HB ILE A 123 12.783 6.311 19.205 1.00 51.02 H new ATOM 0 HG12 ILE A 123 10.877 8.655 18.876 1.00 24.50 H new ATOM 0 HG13 ILE A 123 10.779 7.449 20.144 1.00 24.50 H new ATOM 0 HG21 ILE A 123 13.822 8.278 18.149 1.00 3.24 H new ATOM 0 HG22 ILE A 123 13.618 6.942 16.992 1.00 3.24 H new ATOM 0 HG23 ILE A 123 12.504 8.329 16.954 1.00 3.24 H new ATOM 0 HD11 ILE A 123 11.856 9.490 20.958 1.00 42.24 H new ATOM 0 HD12 ILE A 123 13.002 8.129 20.981 1.00 42.24 H new ATOM 0 HD13 ILE A 123 13.101 9.354 19.694 1.00 42.24 H new ATOM 1939 N GLU A 124 12.388 4.053 17.571 1.00 51.10 N ATOM 1940 CA GLU A 124 13.111 3.017 16.844 1.00 52.34 C ATOM 1941 C GLU A 124 12.265 2.462 15.702 1.00 61.21 C ATOM 1942 O GLU A 124 12.752 2.278 14.587 1.00 73.42 O ATOM 1943 CB GLU A 124 13.513 1.884 17.792 1.00 51.31 C ATOM 1944 CG GLU A 124 15.001 1.575 17.775 1.00 3.35 C ATOM 1945 CD GLU A 124 15.481 0.949 19.069 1.00 74.13 C ATOM 1946 OE1 GLU A 124 15.310 -0.278 19.233 1.00 3.23 O ATOM 1947 OE2 GLU A 124 16.029 1.683 19.918 1.00 5.30 O ATOM 0 H GLU A 124 12.319 3.894 18.576 1.00 51.10 H new ATOM 0 HA GLU A 124 14.010 3.466 16.422 1.00 52.34 H new ATOM 0 HB2 GLU A 124 13.217 2.149 18.807 1.00 51.31 H new ATOM 0 HB3 GLU A 124 12.960 0.984 17.523 1.00 51.31 H new ATOM 0 HG2 GLU A 124 15.219 0.901 16.947 1.00 3.35 H new ATOM 0 HG3 GLU A 124 15.557 2.494 17.592 1.00 3.35 H new ATOM 1954 N ARG A 125 10.994 2.197 15.989 1.00 33.02 N ATOM 1955 CA ARG A 125 10.080 1.662 14.988 1.00 63.22 C ATOM 1956 C ARG A 125 10.100 2.514 13.722 1.00 31.34 C ATOM 1957 O ARG A 125 10.232 1.996 12.613 1.00 74.35 O ATOM 1958 CB ARG A 125 8.658 1.597 15.547 1.00 52.34 C ATOM 1959 CG ARG A 125 8.537 0.747 16.802 1.00 24.11 C ATOM 1960 CD ARG A 125 7.214 -0.002 16.842 1.00 61.10 C ATOM 1961 NE ARG A 125 7.244 -1.117 17.785 1.00 11.12 N ATOM 1962 CZ ARG A 125 6.153 -1.710 18.257 1.00 33.13 C ATOM 1963 NH1 ARG A 125 4.953 -1.297 17.877 1.00 24.13 N ATOM 1964 NH2 ARG A 125 6.263 -2.718 19.113 1.00 70.03 N ATOM 0 H ARG A 125 10.575 2.344 16.907 1.00 33.02 H new ATOM 0 HA ARG A 125 10.410 0.655 14.734 1.00 63.22 H new ATOM 0 HB2 ARG A 125 8.317 2.608 15.769 1.00 52.34 H new ATOM 0 HB3 ARG A 125 7.993 1.197 14.781 1.00 52.34 H new ATOM 0 HG2 ARG A 125 9.361 0.035 16.841 1.00 24.11 H new ATOM 0 HG3 ARG A 125 8.623 1.383 17.683 1.00 24.11 H new ATOM 0 HD2 ARG A 125 6.416 0.686 17.120 1.00 61.10 H new ATOM 0 HD3 ARG A 125 6.979 -0.376 15.846 1.00 61.10 H new ATOM 0 HE ARG A 125 8.152 -1.459 18.098 1.00 11.12 H new ATOM 0 HH11 ARG A 125 4.865 -0.522 17.220 1.00 24.13 H new ATOM 0 HH12 ARG A 125 4.117 -1.754 18.241 1.00 24.13 H new ATOM 0 HH21 ARG A 125 7.185 -3.038 19.409 1.00 70.03 H new ATOM 0 HH22 ARG A 125 5.425 -3.173 19.475 1.00 70.03 H new ATOM 1978 N LEU A 126 9.969 3.825 13.895 1.00 1.12 N ATOM 1979 CA LEU A 126 9.972 4.750 12.768 1.00 33.35 C ATOM 1980 C LEU A 126 11.364 4.855 12.154 1.00 23.33 C ATOM 1981 O LEU A 126 11.519 4.831 10.931 1.00 13.24 O ATOM 1982 CB LEU A 126 9.493 6.133 13.216 1.00 35.31 C ATOM 1983 CG LEU A 126 7.981 6.355 13.208 1.00 50.24 C ATOM 1984 CD1 LEU A 126 7.458 6.416 11.781 1.00 4.23 C ATOM 1985 CD2 LEU A 126 7.276 5.255 13.989 1.00 14.14 C ATOM 0 H LEU A 126 9.859 4.271 14.806 1.00 1.12 H new ATOM 0 HA LEU A 126 9.289 4.364 12.011 1.00 33.35 H new ATOM 0 HB2 LEU A 126 9.861 6.313 14.226 1.00 35.31 H new ATOM 0 HB3 LEU A 126 9.953 6.881 12.571 1.00 35.31 H new ATOM 0 HG LEU A 126 7.771 7.309 13.692 1.00 50.24 H new ATOM 0 HD11 LEU A 126 6.380 6.575 11.795 1.00 4.23 H new ATOM 0 HD12 LEU A 126 7.939 7.239 11.252 1.00 4.23 H new ATOM 0 HD13 LEU A 126 7.680 5.478 11.272 1.00 4.23 H new ATOM 0 HD21 LEU A 126 6.200 5.429 13.973 1.00 14.14 H new ATOM 0 HD22 LEU A 126 7.494 4.289 13.534 1.00 14.14 H new ATOM 0 HD23 LEU A 126 7.628 5.258 15.020 1.00 14.14 H new ATOM 1997 N LEU A 127 12.375 4.972 13.008 1.00 52.45 N ATOM 1998 CA LEU A 127 13.756 5.078 12.550 1.00 41.11 C ATOM 1999 C LEU A 127 14.659 4.112 13.312 1.00 25.13 C ATOM 2000 O LEU A 127 15.118 4.415 14.413 1.00 43.31 O ATOM 2001 CB LEU A 127 14.262 6.511 12.722 1.00 3.31 C ATOM 2002 CG LEU A 127 15.777 6.700 12.658 1.00 34.35 C ATOM 2003 CD1 LEU A 127 16.342 6.066 11.396 1.00 25.45 C ATOM 2004 CD2 LEU A 127 16.135 8.178 12.721 1.00 42.34 C ATOM 0 H LEU A 127 12.264 4.996 14.022 1.00 52.45 H new ATOM 0 HA LEU A 127 13.784 4.814 11.493 1.00 41.11 H new ATOM 0 HB2 LEU A 127 13.806 7.131 11.950 1.00 3.31 H new ATOM 0 HB3 LEU A 127 13.909 6.887 13.683 1.00 3.31 H new ATOM 0 HG LEU A 127 16.221 6.203 13.520 1.00 34.35 H new ATOM 0 HD11 LEU A 127 17.422 6.211 11.368 1.00 25.45 H new ATOM 0 HD12 LEU A 127 16.119 4.999 11.394 1.00 25.45 H new ATOM 0 HD13 LEU A 127 15.891 6.533 10.521 1.00 25.45 H new ATOM 0 HD21 LEU A 127 17.218 8.292 12.674 1.00 42.34 H new ATOM 0 HD22 LEU A 127 15.678 8.699 11.880 1.00 42.34 H new ATOM 0 HD23 LEU A 127 15.765 8.602 13.654 1.00 42.34 H new