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=-0.00102 X(o=-0.067,f=-0.39) USER MOD Set 1.2: A 115 GLN : amide:sc= -0.0665 K(o=-0.067,f=-1.7!) USER MOD Set 2.1: A 45 THR OG1 : rot 41:sc= -0.0172 USER MOD Set 2.2: A 103 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 37 LYS NZ :NH3+ 170:sc= 0.127 (180deg=-0.41) USER MOD Set 3.2: A 93 CYS SG : rot -39:sc= 0.219 USER MOD Set 4.1: A 34 GLN : amide:sc= 0.0433 K(o=0.84,f=-2) USER MOD Set 4.2: A 105 THR OG1 : rot 112:sc= 0.801 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.31) USER MOD Single : A 19 THR OG1 : rot 25:sc= 0.185 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot -72:sc= 1.13 USER MOD Single : A 30 CYS SG : rot -19:sc= 0.603 USER MOD Single : A 31 ASN : amide:sc=-0.00759 X(o=-0.0076,f=-0.0076) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -56:sc= 0.542 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc=-0.00995 X(o=-0.01,f=-0.1) USER MOD Single : A 51 SER OG : rot -154:sc= -1.75! USER MOD Single : A 56 MET CE :methyl -169:sc= -3.12 (180deg=-4.02!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot -178:sc= 0.524 USER MOD Single : A 85 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot -24:sc= 0.712 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -71:sc= 1.16 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.0015) 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= -0.0666 X(o=-0.067,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0.176 X(o=0.18,f=0) USER MOD Single : A 121 GLN : amide:sc= -0.0087 X(o=-0.0087,f=0) USER MOD Single : A 122 SER OG : rot 88:sc= 0.288 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 10.868 13.559 5.143 1.00 24.12 N ATOM 136 CA ALA A 10 10.230 13.948 6.394 1.00 44.24 C ATOM 137 C ALA A 10 9.636 12.739 7.107 1.00 22.33 C ATOM 138 O ALA A 10 8.642 12.855 7.825 1.00 24.12 O ATOM 139 CB ALA A 10 9.153 14.992 6.134 1.00 60.01 C ATOM 0 HA ALA A 10 10.992 14.381 7.043 1.00 44.24 H new ATOM 0 HB1 ALA A 10 8.684 15.274 7.077 1.00 60.01 H new ATOM 0 HB2 ALA A 10 9.603 15.872 5.675 1.00 60.01 H new ATOM 0 HB3 ALA A 10 8.400 14.578 5.464 1.00 60.01 H new ATOM 145 N TYR A 11 10.249 11.578 6.903 1.00 13.33 N ATOM 146 CA TYR A 11 9.779 10.345 7.524 1.00 42.44 C ATOM 147 C TYR A 11 10.891 9.682 8.330 1.00 15.23 C ATOM 148 O TYR A 11 12.078 9.945 8.131 1.00 54.11 O ATOM 149 CB TYR A 11 9.260 9.378 6.459 1.00 4.24 C ATOM 150 CG TYR A 11 7.752 9.286 6.408 1.00 71.43 C ATOM 151 CD1 TYR A 11 6.971 10.423 6.239 1.00 35.41 C ATOM 152 CD2 TYR A 11 7.107 8.060 6.527 1.00 54.34 C ATOM 153 CE1 TYR A 11 5.593 10.343 6.194 1.00 25.34 C ATOM 154 CE2 TYR A 11 5.729 7.971 6.482 1.00 23.52 C ATOM 155 CZ TYR A 11 4.976 9.115 6.315 1.00 32.10 C ATOM 156 OH TYR A 11 3.604 9.031 6.268 1.00 73.41 O ATOM 0 H TYR A 11 11.073 11.465 6.312 1.00 13.33 H new ATOM 0 HA TYR A 11 8.965 10.598 8.203 1.00 42.44 H new ATOM 0 HB2 TYR A 11 9.630 9.693 5.483 1.00 4.24 H new ATOM 0 HB3 TYR A 11 9.670 8.386 6.650 1.00 4.24 H new ATOM 0 HD1 TYR A 11 7.450 11.386 6.141 1.00 35.41 H new ATOM 0 HD2 TYR A 11 7.693 7.162 6.657 1.00 54.34 H new ATOM 0 HE1 TYR A 11 5.001 11.237 6.065 1.00 25.34 H new ATOM 0 HE2 TYR A 11 5.244 7.011 6.577 1.00 23.52 H new ATOM 0 HH TYR A 11 3.330 8.095 6.367 1.00 73.41 H new ATOM 166 N PRO A 12 10.501 8.800 9.262 1.00 41.44 N ATOM 167 CA PRO A 12 9.091 8.481 9.508 1.00 31.45 C ATOM 168 C PRO A 12 8.336 9.641 10.148 1.00 72.00 C ATOM 169 O PRO A 12 8.936 10.641 10.545 1.00 34.42 O ATOM 170 CB PRO A 12 9.159 7.292 10.469 1.00 33.32 C ATOM 171 CG PRO A 12 10.472 7.436 11.158 1.00 12.53 C ATOM 172 CD PRO A 12 11.404 8.049 10.149 1.00 12.35 C ATOM 0 HA PRO A 12 8.554 8.269 8.583 1.00 31.45 H new ATOM 0 HB2 PRO A 12 8.334 7.311 11.181 1.00 33.32 H new ATOM 0 HB3 PRO A 12 9.095 6.345 9.933 1.00 33.32 H new ATOM 0 HG2 PRO A 12 10.382 8.069 12.041 1.00 12.53 H new ATOM 0 HG3 PRO A 12 10.844 6.469 11.496 1.00 12.53 H new ATOM 0 HD2 PRO A 12 12.136 8.702 10.623 1.00 12.35 H new ATOM 0 HD3 PRO A 12 11.962 7.288 9.603 1.00 12.35 H new ATOM 180 N LEU A 13 7.019 9.502 10.246 1.00 23.24 N ATOM 181 CA LEU A 13 6.181 10.539 10.839 1.00 2.04 C ATOM 182 C LEU A 13 5.289 9.959 11.931 1.00 70.35 C ATOM 183 O LEU A 13 4.852 8.812 11.846 1.00 25.22 O ATOM 184 CB LEU A 13 5.323 11.206 9.762 1.00 73.31 C ATOM 185 CG LEU A 13 4.312 12.240 10.256 1.00 53.32 C ATOM 186 CD1 LEU A 13 5.026 13.473 10.788 1.00 30.00 C ATOM 187 CD2 LEU A 13 3.348 12.620 9.142 1.00 31.14 C ATOM 0 H LEU A 13 6.508 8.681 9.922 1.00 23.24 H new ATOM 0 HA LEU A 13 6.834 11.287 11.289 1.00 2.04 H new ATOM 0 HB2 LEU A 13 5.986 11.690 9.045 1.00 73.31 H new ATOM 0 HB3 LEU A 13 4.783 10.428 9.222 1.00 73.31 H new ATOM 0 HG LEU A 13 3.738 11.797 11.070 1.00 53.32 H new ATOM 0 HD11 LEU A 13 4.290 14.198 11.135 1.00 30.00 H new ATOM 0 HD12 LEU A 13 5.674 13.189 11.617 1.00 30.00 H new ATOM 0 HD13 LEU A 13 5.626 13.917 9.994 1.00 30.00 H new ATOM 0 HD21 LEU A 13 2.636 13.357 9.513 1.00 31.14 H new ATOM 0 HD22 LEU A 13 3.906 13.043 8.307 1.00 31.14 H new ATOM 0 HD23 LEU A 13 2.811 11.733 8.807 1.00 31.14 H new ATOM 199 N ALA A 14 5.021 10.760 12.956 1.00 43.33 N ATOM 200 CA ALA A 14 4.177 10.329 14.064 1.00 3.12 C ATOM 201 C ALA A 14 2.724 10.729 13.834 1.00 41.45 C ATOM 202 O ALA A 14 2.428 11.888 13.543 1.00 63.12 O ATOM 203 CB ALA A 14 4.687 10.911 15.374 1.00 4.02 C ATOM 0 H ALA A 14 5.376 11.712 13.043 1.00 43.33 H new ATOM 0 HA ALA A 14 4.222 9.241 14.122 1.00 3.12 H new ATOM 0 HB1 ALA A 14 4.047 10.581 16.192 1.00 4.02 H new ATOM 0 HB2 ALA A 14 5.707 10.570 15.551 1.00 4.02 H new ATOM 0 HB3 ALA A 14 4.672 11.999 15.319 1.00 4.02 H new ATOM 209 N ASP A 15 1.821 9.764 13.968 1.00 42.43 N ATOM 210 CA ASP A 15 0.398 10.017 13.776 1.00 30.34 C ATOM 211 C ASP A 15 -0.137 10.962 14.847 1.00 10.34 C ATOM 212 O ASP A 15 0.589 11.354 15.761 1.00 22.25 O ATOM 213 CB ASP A 15 -0.384 8.701 13.803 1.00 54.52 C ATOM 214 CG ASP A 15 0.018 7.814 14.965 1.00 13.11 C ATOM 215 OD1 ASP A 15 1.026 7.088 14.836 1.00 53.31 O ATOM 216 OD2 ASP A 15 -0.675 7.846 16.002 1.00 73.34 O ATOM 0 H ASP A 15 2.049 8.799 14.209 1.00 42.43 H new ATOM 0 HA ASP A 15 0.267 10.490 12.803 1.00 30.34 H new ATOM 0 HB2 ASP A 15 -1.451 8.916 13.866 1.00 54.52 H new ATOM 0 HB3 ASP A 15 -0.222 8.166 12.868 1.00 54.52 H new ATOM 221 N ALA A 16 -1.408 11.327 14.726 1.00 60.31 N ATOM 222 CA ALA A 16 -2.039 12.226 15.684 1.00 21.40 C ATOM 223 C ALA A 16 -2.041 11.622 17.085 1.00 13.42 C ATOM 224 O ALA A 16 -1.815 12.322 18.073 1.00 52.44 O ATOM 225 CB ALA A 16 -3.460 12.551 15.247 1.00 5.13 C ATOM 0 H ALA A 16 -2.022 11.014 13.974 1.00 60.31 H new ATOM 0 HA ALA A 16 -1.459 13.149 15.714 1.00 21.40 H new ATOM 0 HB1 ALA A 16 -3.919 13.223 15.972 1.00 5.13 H new ATOM 0 HB2 ALA A 16 -3.439 13.032 14.269 1.00 5.13 H new ATOM 0 HB3 ALA A 16 -4.041 11.631 15.187 1.00 5.13 H new ATOM 231 N HIS A 17 -2.296 10.321 17.163 1.00 63.41 N ATOM 232 CA HIS A 17 -2.327 9.623 18.444 1.00 55.21 C ATOM 233 C HIS A 17 -0.927 9.529 19.044 1.00 75.32 C ATOM 234 O HIS A 17 -0.763 9.526 20.265 1.00 73.12 O ATOM 235 CB HIS A 17 -2.915 8.223 18.273 1.00 23.40 C ATOM 236 CG HIS A 17 -4.373 8.141 18.608 1.00 51.40 C ATOM 237 ND1 HIS A 17 -5.218 9.230 18.562 1.00 21.22 N ATOM 238 CD2 HIS A 17 -5.134 7.091 18.996 1.00 62.23 C ATOM 239 CE1 HIS A 17 -6.437 8.853 18.909 1.00 41.40 C ATOM 240 NE2 HIS A 17 -6.413 7.560 19.176 1.00 53.22 N ATOM 0 H HIS A 17 -2.484 9.728 16.355 1.00 63.41 H new ATOM 0 HA HIS A 17 -2.959 10.193 19.125 1.00 55.21 H new ATOM 0 HB2 HIS A 17 -2.769 7.900 17.242 1.00 23.40 H new ATOM 0 HB3 HIS A 17 -2.365 7.527 18.907 1.00 23.40 H new ATOM 0 HD2 HIS A 17 -4.799 6.074 19.138 1.00 62.23 H new ATOM 0 HE1 HIS A 17 -7.305 9.494 18.965 1.00 41.40 H new ATOM 0 HE2 HIS A 17 -7.214 7.000 19.468 1.00 53.22 H new ATOM 248 N LEU A 18 0.078 9.452 18.180 1.00 21.14 N ATOM 249 CA LEU A 18 1.465 9.357 18.624 1.00 33.41 C ATOM 250 C LEU A 18 1.999 10.725 19.038 1.00 35.32 C ATOM 251 O LEU A 18 2.725 10.847 20.026 1.00 31.15 O ATOM 252 CB LEU A 18 2.338 8.769 17.515 1.00 11.33 C ATOM 253 CG LEU A 18 3.411 7.775 17.960 1.00 25.12 C ATOM 254 CD1 LEU A 18 4.400 8.444 18.902 1.00 21.12 C ATOM 255 CD2 LEU A 18 2.773 6.563 18.624 1.00 41.25 C ATOM 0 H LEU A 18 -0.041 9.453 17.167 1.00 21.14 H new ATOM 0 HA LEU A 18 1.499 8.697 19.491 1.00 33.41 H new ATOM 0 HB2 LEU A 18 1.689 8.273 16.794 1.00 11.33 H new ATOM 0 HB3 LEU A 18 2.827 9.590 16.991 1.00 11.33 H new ATOM 0 HG LEU A 18 3.954 7.436 17.078 1.00 25.12 H new ATOM 0 HD11 LEU A 18 5.156 7.721 19.208 1.00 21.12 H new ATOM 0 HD12 LEU A 18 4.881 9.279 18.392 1.00 21.12 H new ATOM 0 HD13 LEU A 18 3.872 8.812 19.782 1.00 21.12 H new ATOM 0 HD21 LEU A 18 3.552 5.866 18.934 1.00 41.25 H new ATOM 0 HD22 LEU A 18 2.204 6.884 19.497 1.00 41.25 H new ATOM 0 HD23 LEU A 18 2.106 6.070 17.917 1.00 41.25 H new ATOM 267 N THR A 19 1.634 11.751 18.278 1.00 3.12 N ATOM 268 CA THR A 19 2.076 13.110 18.565 1.00 44.43 C ATOM 269 C THR A 19 1.597 13.565 19.939 1.00 31.00 C ATOM 270 O THR A 19 2.293 14.302 20.638 1.00 62.41 O ATOM 271 CB THR A 19 1.566 14.103 17.502 1.00 32.21 C ATOM 272 OG1 THR A 19 0.210 13.799 17.158 1.00 52.44 O ATOM 273 CG2 THR A 19 2.435 14.052 16.255 1.00 3.14 C ATOM 0 H THR A 19 1.033 11.667 17.458 1.00 3.12 H new ATOM 0 HA THR A 19 3.166 13.098 18.548 1.00 44.43 H new ATOM 0 HB THR A 19 1.617 15.108 17.921 1.00 32.21 H new ATOM 0 HG1 THR A 19 -0.216 13.321 17.900 1.00 52.44 H new ATOM 0 HG21 THR A 19 2.056 14.761 15.519 1.00 3.14 H new ATOM 0 HG22 THR A 19 3.461 14.312 16.516 1.00 3.14 H new ATOM 0 HG23 THR A 19 2.411 13.046 15.836 1.00 3.14 H new ATOM 281 N LYS A 20 0.405 13.120 20.322 1.00 45.55 N ATOM 282 CA LYS A 20 -0.167 13.479 21.614 1.00 42.42 C ATOM 283 C LYS A 20 0.797 13.146 22.748 1.00 2.02 C ATOM 284 O LYS A 20 0.949 13.917 23.694 1.00 73.24 O ATOM 285 CB LYS A 20 -1.495 12.749 21.828 1.00 61.30 C ATOM 286 CG LYS A 20 -2.715 13.622 21.588 1.00 72.13 C ATOM 287 CD LYS A 20 -3.911 13.141 22.393 1.00 42.43 C ATOM 288 CE LYS A 20 -4.101 13.967 23.657 1.00 15.24 C ATOM 289 NZ LYS A 20 -5.503 13.907 24.153 1.00 54.04 N ATOM 0 H LYS A 20 -0.184 12.510 19.755 1.00 45.55 H new ATOM 0 HA LYS A 20 -0.346 14.554 21.617 1.00 42.42 H new ATOM 0 HB2 LYS A 20 -1.538 11.888 21.161 1.00 61.30 H new ATOM 0 HB3 LYS A 20 -1.529 12.365 22.847 1.00 61.30 H new ATOM 0 HG2 LYS A 20 -2.485 14.653 21.857 1.00 72.13 H new ATOM 0 HG3 LYS A 20 -2.964 13.618 20.527 1.00 72.13 H new ATOM 0 HD2 LYS A 20 -4.811 13.199 21.780 1.00 42.43 H new ATOM 0 HD3 LYS A 20 -3.774 12.093 22.659 1.00 42.43 H new ATOM 0 HE2 LYS A 20 -3.426 13.605 24.432 1.00 15.24 H new ATOM 0 HE3 LYS A 20 -3.830 15.004 23.457 1.00 15.24 H new ATOM 0 HZ1 LYS A 20 -5.591 14.482 25.015 1.00 54.04 H new ATOM 0 HZ2 LYS A 20 -6.146 14.276 23.423 1.00 54.04 H new ATOM 0 HZ3 LYS A 20 -5.753 12.921 24.368 1.00 54.04 H new ATOM 303 N LYS A 21 1.448 11.992 22.643 1.00 75.24 N ATOM 304 CA LYS A 21 2.400 11.556 23.659 1.00 20.01 C ATOM 305 C LYS A 21 3.706 12.337 23.550 1.00 60.14 C ATOM 306 O LYS A 21 4.318 12.686 24.560 1.00 25.32 O ATOM 307 CB LYS A 21 2.676 10.057 23.518 1.00 43.43 C ATOM 308 CG LYS A 21 1.754 9.188 24.356 1.00 42.20 C ATOM 309 CD LYS A 21 0.661 8.558 23.509 1.00 32.43 C ATOM 310 CE LYS A 21 0.779 7.041 23.486 1.00 24.02 C ATOM 311 NZ LYS A 21 1.966 6.590 22.708 1.00 50.21 N ATOM 0 H LYS A 21 1.334 11.342 21.865 1.00 75.24 H new ATOM 0 HA LYS A 21 1.963 11.748 24.639 1.00 20.01 H new ATOM 0 HB2 LYS A 21 2.575 9.774 22.470 1.00 43.43 H new ATOM 0 HB3 LYS A 21 3.709 9.858 23.804 1.00 43.43 H new ATOM 0 HG2 LYS A 21 2.334 8.405 24.844 1.00 42.20 H new ATOM 0 HG3 LYS A 21 1.303 9.790 25.145 1.00 42.20 H new ATOM 0 HD2 LYS A 21 -0.315 8.842 23.902 1.00 32.43 H new ATOM 0 HD3 LYS A 21 0.719 8.944 22.491 1.00 32.43 H new ATOM 0 HE2 LYS A 21 0.850 6.667 24.507 1.00 24.02 H new ATOM 0 HE3 LYS A 21 -0.124 6.613 23.052 1.00 24.02 H new ATOM 0 HZ1 LYS A 21 2.012 5.551 22.716 1.00 50.21 H new ATOM 0 HZ2 LYS A 21 1.886 6.926 21.727 1.00 50.21 H new ATOM 0 HZ3 LYS A 21 2.830 6.978 23.137 1.00 50.21 H new ATOM 325 N LEU A 22 4.126 12.608 22.320 1.00 1.13 N ATOM 326 CA LEU A 22 5.360 13.349 22.079 1.00 45.01 C ATOM 327 C LEU A 22 5.262 14.765 22.638 1.00 54.33 C ATOM 328 O LEU A 22 6.185 15.249 23.298 1.00 25.22 O ATOM 329 CB LEU A 22 5.663 13.402 20.581 1.00 25.32 C ATOM 330 CG LEU A 22 7.139 13.499 20.197 1.00 13.52 C ATOM 331 CD1 LEU A 22 7.844 12.174 20.445 1.00 30.44 C ATOM 332 CD2 LEU A 22 7.287 13.919 18.741 1.00 54.14 C ATOM 0 H LEU A 22 3.631 12.326 21.474 1.00 1.13 H new ATOM 0 HA LEU A 22 6.171 12.830 22.590 1.00 45.01 H new ATOM 0 HB2 LEU A 22 5.245 12.510 20.115 1.00 25.32 H new ATOM 0 HB3 LEU A 22 5.141 14.259 20.155 1.00 25.32 H new ATOM 0 HG LEU A 22 7.607 14.259 20.823 1.00 13.52 H new ATOM 0 HD11 LEU A 22 8.894 12.263 20.166 1.00 30.44 H new ATOM 0 HD12 LEU A 22 7.770 11.915 21.501 1.00 30.44 H new ATOM 0 HD13 LEU A 22 7.374 11.394 19.846 1.00 30.44 H new ATOM 0 HD21 LEU A 22 8.345 13.983 18.486 1.00 54.14 H new ATOM 0 HD22 LEU A 22 6.803 13.183 18.099 1.00 54.14 H new ATOM 0 HD23 LEU A 22 6.819 14.892 18.594 1.00 54.14 H new ATOM 344 N LEU A 23 4.140 15.424 22.375 1.00 63.42 N ATOM 345 CA LEU A 23 3.920 16.784 22.854 1.00 50.25 C ATOM 346 C LEU A 23 4.090 16.862 24.369 1.00 65.32 C ATOM 347 O LEU A 23 4.549 17.872 24.900 1.00 40.34 O ATOM 348 CB LEU A 23 2.522 17.265 22.462 1.00 2.24 C ATOM 349 CG LEU A 23 2.465 18.395 21.432 1.00 35.33 C ATOM 350 CD1 LEU A 23 2.966 19.695 22.040 1.00 70.13 C ATOM 351 CD2 LEU A 23 3.278 18.032 20.199 1.00 24.54 C ATOM 0 H LEU A 23 3.367 15.039 21.832 1.00 63.42 H new ATOM 0 HA LEU A 23 4.664 17.431 22.389 1.00 50.25 H new ATOM 0 HB2 LEU A 23 1.964 16.415 22.070 1.00 2.24 H new ATOM 0 HB3 LEU A 23 2.007 17.596 23.364 1.00 2.24 H new ATOM 0 HG LEU A 23 1.427 18.535 21.130 1.00 35.33 H new ATOM 0 HD11 LEU A 23 2.919 20.488 21.294 1.00 70.13 H new ATOM 0 HD12 LEU A 23 2.342 19.962 22.893 1.00 70.13 H new ATOM 0 HD13 LEU A 23 3.997 19.569 22.370 1.00 70.13 H new ATOM 0 HD21 LEU A 23 3.227 18.847 19.477 1.00 24.54 H new ATOM 0 HD22 LEU A 23 4.317 17.865 20.484 1.00 24.54 H new ATOM 0 HD23 LEU A 23 2.874 17.124 19.751 1.00 24.54 H new ATOM 363 N ASP A 24 3.719 15.787 25.056 1.00 14.34 N ATOM 364 CA ASP A 24 3.834 15.732 26.509 1.00 21.14 C ATOM 365 C ASP A 24 5.298 15.703 26.938 1.00 41.35 C ATOM 366 O ASP A 24 5.658 16.231 27.991 1.00 42.42 O ATOM 367 CB ASP A 24 3.106 14.502 27.053 1.00 13.21 C ATOM 368 CG ASP A 24 2.708 14.661 28.507 1.00 71.43 C ATOM 369 OD1 ASP A 24 3.315 15.503 29.199 1.00 43.14 O ATOM 370 OD2 ASP A 24 1.789 13.942 28.953 1.00 32.42 O ATOM 0 H ASP A 24 3.336 14.943 24.631 1.00 14.34 H new ATOM 0 HA ASP A 24 3.372 16.630 26.920 1.00 21.14 H new ATOM 0 HB2 ASP A 24 2.215 14.316 26.454 1.00 13.21 H new ATOM 0 HB3 ASP A 24 3.748 13.628 26.949 1.00 13.21 H new ATOM 375 N LEU A 25 6.138 15.082 26.117 1.00 63.41 N ATOM 376 CA LEU A 25 7.563 14.983 26.411 1.00 61.24 C ATOM 377 C LEU A 25 8.166 16.363 26.654 1.00 34.40 C ATOM 378 O LEU A 25 8.995 16.541 27.547 1.00 2.00 O ATOM 379 CB LEU A 25 8.294 14.289 25.261 1.00 3.52 C ATOM 380 CG LEU A 25 9.233 13.148 25.653 1.00 71.44 C ATOM 381 CD1 LEU A 25 10.377 13.668 26.508 1.00 1.24 C ATOM 382 CD2 LEU A 25 8.467 12.058 26.389 1.00 72.30 C ATOM 0 H LEU A 25 5.856 14.639 25.242 1.00 63.41 H new ATOM 0 HA LEU A 25 7.682 14.391 27.318 1.00 61.24 H new ATOM 0 HB2 LEU A 25 7.550 13.898 24.567 1.00 3.52 H new ATOM 0 HB3 LEU A 25 8.872 15.038 24.720 1.00 3.52 H new ATOM 0 HG LEU A 25 9.653 12.719 24.743 1.00 71.44 H new ATOM 0 HD11 LEU A 25 11.035 12.842 26.777 1.00 1.24 H new ATOM 0 HD12 LEU A 25 10.941 14.413 25.947 1.00 1.24 H new ATOM 0 HD13 LEU A 25 9.977 14.123 27.414 1.00 1.24 H new ATOM 0 HD21 LEU A 25 9.150 11.253 26.661 1.00 72.30 H new ATOM 0 HD22 LEU A 25 8.019 12.474 27.291 1.00 72.30 H new ATOM 0 HD23 LEU A 25 7.682 11.665 25.743 1.00 72.30 H new ATOM 394 N VAL A 26 7.742 17.337 25.855 1.00 44.22 N ATOM 395 CA VAL A 26 8.237 18.702 25.985 1.00 53.21 C ATOM 396 C VAL A 26 7.918 19.275 27.362 1.00 24.44 C ATOM 397 O VAL A 26 8.803 19.763 28.062 1.00 73.31 O ATOM 398 CB VAL A 26 7.636 19.623 24.907 1.00 2.13 C ATOM 399 CG1 VAL A 26 8.296 20.992 24.945 1.00 54.44 C ATOM 400 CG2 VAL A 26 7.777 18.993 23.529 1.00 15.14 C ATOM 0 H VAL A 26 7.057 17.206 25.111 1.00 44.22 H new ATOM 0 HA VAL A 26 9.318 18.659 25.854 1.00 53.21 H new ATOM 0 HB VAL A 26 6.574 19.752 25.116 1.00 2.13 H new ATOM 0 HG11 VAL A 26 7.858 21.629 24.176 1.00 54.44 H new ATOM 0 HG12 VAL A 26 8.139 21.445 25.924 1.00 54.44 H new ATOM 0 HG13 VAL A 26 9.365 20.886 24.762 1.00 54.44 H new ATOM 0 HG21 VAL A 26 7.347 19.657 22.779 1.00 15.14 H new ATOM 0 HG22 VAL A 26 8.832 18.832 23.309 1.00 15.14 H new ATOM 0 HG23 VAL A 26 7.253 18.038 23.510 1.00 15.14 H new ATOM 410 N GLN A 27 6.645 19.209 27.743 1.00 33.34 N ATOM 411 CA GLN A 27 6.209 19.720 29.036 1.00 50.31 C ATOM 412 C GLN A 27 6.853 18.939 30.177 1.00 3.23 C ATOM 413 O GLN A 27 7.107 19.485 31.250 1.00 65.22 O ATOM 414 CB GLN A 27 4.685 19.647 29.149 1.00 61.00 C ATOM 415 CG GLN A 27 4.116 20.505 30.268 1.00 4.14 C ATOM 416 CD GLN A 27 2.968 19.831 30.993 1.00 44.03 C ATOM 417 OE1 GLN A 27 1.800 20.048 30.666 1.00 35.30 O ATOM 418 NE2 GLN A 27 3.294 19.009 31.983 1.00 65.41 N ATOM 0 H GLN A 27 5.900 18.807 27.175 1.00 33.34 H new ATOM 0 HA GLN A 27 6.523 20.761 29.111 1.00 50.31 H new ATOM 0 HB2 GLN A 27 4.243 19.959 28.203 1.00 61.00 H new ATOM 0 HB3 GLN A 27 4.390 18.610 29.312 1.00 61.00 H new ATOM 0 HG2 GLN A 27 4.907 20.735 30.982 1.00 4.14 H new ATOM 0 HG3 GLN A 27 3.773 21.454 29.855 1.00 4.14 H new ATOM 0 HE21 GLN A 27 4.275 18.859 32.219 1.00 65.41 H new ATOM 0 HE22 GLN A 27 2.564 18.527 32.507 1.00 65.41 H new ATOM 427 N GLN A 28 7.116 17.658 29.936 1.00 42.04 N ATOM 428 CA GLN A 28 7.729 16.803 30.943 1.00 74.12 C ATOM 429 C GLN A 28 9.216 17.113 31.090 1.00 63.34 C ATOM 430 O GLN A 28 9.783 16.982 32.175 1.00 33.14 O ATOM 431 CB GLN A 28 7.538 15.330 30.577 1.00 71.40 C ATOM 432 CG GLN A 28 6.255 14.727 31.127 1.00 61.12 C ATOM 433 CD GLN A 28 5.913 13.397 30.485 1.00 43.21 C ATOM 434 OE1 GLN A 28 6.675 12.873 29.672 1.00 71.33 O ATOM 435 NE2 GLN A 28 4.761 12.845 30.847 1.00 21.23 N ATOM 0 H GLN A 28 6.914 17.191 29.052 1.00 42.04 H new ATOM 0 HA GLN A 28 7.239 17.000 31.897 1.00 74.12 H new ATOM 0 HB2 GLN A 28 7.540 15.231 29.492 1.00 71.40 H new ATOM 0 HB3 GLN A 28 8.388 14.758 30.951 1.00 71.40 H new ATOM 0 HG2 GLN A 28 6.354 14.591 32.204 1.00 61.12 H new ATOM 0 HG3 GLN A 28 5.433 15.425 30.968 1.00 61.12 H new ATOM 0 HE21 GLN A 28 4.161 13.315 31.525 1.00 21.23 H new ATOM 0 HE22 GLN A 28 4.476 11.951 30.448 1.00 21.23 H new ATOM 444 N SER A 29 9.840 17.527 29.992 1.00 70.35 N ATOM 445 CA SER A 29 11.261 17.853 29.997 1.00 33.01 C ATOM 446 C SER A 29 11.523 19.129 30.792 1.00 24.12 C ATOM 447 O SER A 29 12.370 19.155 31.684 1.00 53.52 O ATOM 448 CB SER A 29 11.774 18.014 28.565 1.00 43.53 C ATOM 449 OG SER A 29 13.129 18.429 28.552 1.00 72.34 O ATOM 0 H SER A 29 9.384 17.645 29.087 1.00 70.35 H new ATOM 0 HA SER A 29 11.796 17.032 30.476 1.00 33.01 H new ATOM 0 HB2 SER A 29 11.675 17.069 28.031 1.00 43.53 H new ATOM 0 HB3 SER A 29 11.162 18.744 28.036 1.00 43.53 H new ATOM 0 HG SER A 29 13.187 19.366 28.834 1.00 72.34 H new ATOM 455 N CYS A 30 10.788 20.185 30.458 1.00 15.10 N ATOM 456 CA CYS A 30 10.941 21.467 31.139 1.00 21.03 C ATOM 457 C CYS A 30 10.554 21.351 32.609 1.00 50.24 C ATOM 458 O CYS A 30 11.044 22.102 33.452 1.00 34.22 O ATOM 459 CB CYS A 30 10.086 22.535 30.457 1.00 22.51 C ATOM 460 SG CYS A 30 8.305 22.276 30.629 1.00 50.04 S ATOM 0 H CYS A 30 10.082 20.179 29.722 1.00 15.10 H new ATOM 0 HA CYS A 30 11.989 21.759 31.080 1.00 21.03 H new ATOM 0 HB2 CYS A 30 10.342 23.510 30.872 1.00 22.51 H new ATOM 0 HB3 CYS A 30 10.337 22.564 29.397 1.00 22.51 H new ATOM 0 HG CYS A 30 8.075 21.037 30.948 1.00 50.04 H new ATOM 466 N ASN A 31 9.669 20.406 32.910 1.00 70.24 N ATOM 467 CA ASN A 31 9.214 20.194 34.280 1.00 64.24 C ATOM 468 C ASN A 31 10.370 19.770 35.178 1.00 14.22 C ATOM 469 O ASN A 31 10.358 20.020 36.384 1.00 73.21 O ATOM 470 CB ASN A 31 8.112 19.133 34.313 1.00 73.14 C ATOM 471 CG ASN A 31 7.680 18.792 35.727 1.00 51.03 C ATOM 472 OD1 ASN A 31 6.974 19.565 36.376 1.00 2.51 O ATOM 473 ND2 ASN A 31 8.104 17.630 36.211 1.00 42.33 N ATOM 0 H ASN A 31 9.253 19.775 32.225 1.00 70.24 H new ATOM 0 HA ASN A 31 8.815 21.137 34.654 1.00 64.24 H new ATOM 0 HB2 ASN A 31 7.250 19.490 33.749 1.00 73.14 H new ATOM 0 HB3 ASN A 31 8.466 18.230 33.816 1.00 73.14 H new ATOM 0 HD21 ASN A 31 7.846 17.347 37.156 1.00 42.33 H new ATOM 0 HD22 ASN A 31 8.687 17.021 35.637 1.00 42.33 H new ATOM 480 N TYR A 32 11.370 19.129 34.583 1.00 1.04 N ATOM 481 CA TYR A 32 12.536 18.668 35.329 1.00 44.05 C ATOM 482 C TYR A 32 13.694 19.651 35.192 1.00 41.43 C ATOM 483 O TYR A 32 14.860 19.277 35.314 1.00 12.24 O ATOM 484 CB TYR A 32 12.965 17.285 34.841 1.00 33.34 C ATOM 485 CG TYR A 32 13.361 16.345 35.958 1.00 20.53 C ATOM 486 CD1 TYR A 32 12.401 15.767 36.780 1.00 4.31 C ATOM 487 CD2 TYR A 32 14.695 16.034 36.191 1.00 32.25 C ATOM 488 CE1 TYR A 32 12.758 14.909 37.801 1.00 70.51 C ATOM 489 CE2 TYR A 32 15.060 15.175 37.209 1.00 33.12 C ATOM 490 CZ TYR A 32 14.088 14.615 38.012 1.00 41.31 C ATOM 491 OH TYR A 32 14.449 13.760 39.028 1.00 31.01 O ATOM 0 H TYR A 32 11.397 18.917 33.586 1.00 1.04 H new ATOM 0 HA TYR A 32 12.261 18.605 36.382 1.00 44.05 H new ATOM 0 HB2 TYR A 32 12.147 16.839 34.275 1.00 33.34 H new ATOM 0 HB3 TYR A 32 13.805 17.395 34.155 1.00 33.34 H new ATOM 0 HD1 TYR A 32 11.358 15.993 36.617 1.00 4.31 H new ATOM 0 HD2 TYR A 32 15.459 16.471 35.566 1.00 32.25 H new ATOM 0 HE1 TYR A 32 11.999 14.470 38.431 1.00 70.51 H new ATOM 0 HE2 TYR A 32 16.101 14.943 37.376 1.00 33.12 H new ATOM 0 HH TYR A 32 15.424 13.659 39.040 1.00 31.01 H new ATOM 501 N LYS A 33 13.363 20.914 34.938 1.00 33.54 N ATOM 502 CA LYS A 33 14.374 21.953 34.785 1.00 61.13 C ATOM 503 C LYS A 33 15.350 21.604 33.665 1.00 61.23 C ATOM 504 O LYS A 33 16.536 21.922 33.742 1.00 63.44 O ATOM 505 CB LYS A 33 15.137 22.149 36.097 1.00 24.02 C ATOM 506 CG LYS A 33 14.247 22.542 37.265 1.00 3.25 C ATOM 507 CD LYS A 33 15.013 22.529 38.577 1.00 63.41 C ATOM 508 CE LYS A 33 15.236 23.937 39.107 1.00 60.44 C ATOM 509 NZ LYS A 33 16.188 23.953 40.252 1.00 44.44 N ATOM 0 H LYS A 33 12.403 21.241 34.834 1.00 33.54 H new ATOM 0 HA LYS A 33 13.866 22.882 34.524 1.00 61.13 H new ATOM 0 HB2 LYS A 33 15.661 21.226 36.345 1.00 24.02 H new ATOM 0 HB3 LYS A 33 15.896 22.918 35.955 1.00 24.02 H new ATOM 0 HG2 LYS A 33 13.836 23.537 37.092 1.00 3.25 H new ATOM 0 HG3 LYS A 33 13.403 21.855 37.328 1.00 3.25 H new ATOM 0 HD2 LYS A 33 14.463 21.944 39.315 1.00 63.41 H new ATOM 0 HD3 LYS A 33 15.975 22.037 38.433 1.00 63.41 H new ATOM 0 HE2 LYS A 33 15.619 24.570 38.307 1.00 60.44 H new ATOM 0 HE3 LYS A 33 14.283 24.362 39.421 1.00 60.44 H new ATOM 0 HZ1 LYS A 33 16.314 24.930 40.585 1.00 44.44 H new ATOM 0 HZ2 LYS A 33 15.810 23.369 41.026 1.00 44.44 H new ATOM 0 HZ3 LYS A 33 17.106 23.571 39.946 1.00 44.44 H new ATOM 523 N GLN A 34 14.841 20.950 32.626 1.00 64.41 N ATOM 524 CA GLN A 34 15.668 20.559 31.490 1.00 73.32 C ATOM 525 C GLN A 34 14.966 20.871 30.173 1.00 41.12 C ATOM 526 O GLN A 34 13.780 20.586 30.006 1.00 63.42 O ATOM 527 CB GLN A 34 16.001 19.067 31.564 1.00 65.22 C ATOM 528 CG GLN A 34 17.202 18.755 32.441 1.00 71.14 C ATOM 529 CD GLN A 34 17.529 17.275 32.477 1.00 61.13 C ATOM 530 OE1 GLN A 34 18.685 16.879 32.327 1.00 13.42 O ATOM 531 NE2 GLN A 34 16.510 16.448 32.676 1.00 71.21 N ATOM 0 H GLN A 34 13.861 20.680 32.547 1.00 64.41 H new ATOM 0 HA GLN A 34 16.594 21.133 31.532 1.00 73.32 H new ATOM 0 HB2 GLN A 34 15.134 18.528 31.945 1.00 65.22 H new ATOM 0 HB3 GLN A 34 16.190 18.695 30.557 1.00 65.22 H new ATOM 0 HG2 GLN A 34 18.068 19.306 32.074 1.00 71.14 H new ATOM 0 HG3 GLN A 34 17.008 19.105 33.455 1.00 71.14 H new ATOM 0 HE21 GLN A 34 15.568 16.819 32.796 1.00 71.21 H new ATOM 0 HE22 GLN A 34 16.669 15.441 32.709 1.00 71.21 H new ATOM 540 N LEU A 35 15.706 21.459 29.240 1.00 10.23 N ATOM 541 CA LEU A 35 15.155 21.811 27.935 1.00 75.10 C ATOM 542 C LEU A 35 16.262 22.218 26.968 1.00 30.50 C ATOM 543 O LEU A 35 17.375 22.543 27.383 1.00 62.05 O ATOM 544 CB LEU A 35 14.142 22.949 28.078 1.00 31.15 C ATOM 545 CG LEU A 35 14.489 24.031 29.100 1.00 1.21 C ATOM 546 CD1 LEU A 35 15.702 24.827 28.643 1.00 54.30 C ATOM 547 CD2 LEU A 35 13.299 24.952 29.326 1.00 15.12 C ATOM 0 H LEU A 35 16.689 21.702 29.362 1.00 10.23 H new ATOM 0 HA LEU A 35 14.651 20.933 27.531 1.00 75.10 H new ATOM 0 HB2 LEU A 35 14.018 23.423 27.104 1.00 31.15 H new ATOM 0 HB3 LEU A 35 13.178 22.519 28.348 1.00 31.15 H new ATOM 0 HG LEU A 35 14.733 23.546 30.045 1.00 1.21 H new ATOM 0 HD11 LEU A 35 15.934 25.593 29.383 1.00 54.30 H new ATOM 0 HD12 LEU A 35 16.556 24.158 28.533 1.00 54.30 H new ATOM 0 HD13 LEU A 35 15.486 25.301 27.686 1.00 54.30 H new ATOM 0 HD21 LEU A 35 13.564 25.716 30.057 1.00 15.12 H new ATOM 0 HD22 LEU A 35 13.024 25.429 28.385 1.00 15.12 H new ATOM 0 HD23 LEU A 35 12.455 24.371 29.698 1.00 15.12 H new ATOM 559 N ARG A 36 15.949 22.200 25.677 1.00 20.24 N ATOM 560 CA ARG A 36 16.916 22.567 24.650 1.00 13.41 C ATOM 561 C ARG A 36 16.212 23.000 23.368 1.00 72.33 C ATOM 562 O ARG A 36 15.612 22.183 22.670 1.00 32.33 O ATOM 563 CB ARG A 36 17.854 21.394 24.359 1.00 25.34 C ATOM 564 CG ARG A 36 19.227 21.819 23.864 1.00 53.23 C ATOM 565 CD ARG A 36 20.044 22.463 24.974 1.00 63.31 C ATOM 566 NE ARG A 36 19.970 23.921 24.933 1.00 44.34 N ATOM 567 CZ ARG A 36 20.669 24.716 25.736 1.00 24.33 C ATOM 568 NH1 ARG A 36 21.491 24.196 26.637 1.00 33.14 N ATOM 569 NH2 ARG A 36 20.548 26.033 25.637 1.00 44.21 N ATOM 0 H ARG A 36 15.032 21.935 25.317 1.00 20.24 H new ATOM 0 HA ARG A 36 17.501 23.407 25.023 1.00 13.41 H new ATOM 0 HB2 ARG A 36 17.972 20.801 25.266 1.00 25.34 H new ATOM 0 HB3 ARG A 36 17.392 20.747 23.613 1.00 25.34 H new ATOM 0 HG2 ARG A 36 19.760 20.951 23.475 1.00 53.23 H new ATOM 0 HG3 ARG A 36 19.116 22.521 23.038 1.00 53.23 H new ATOM 0 HD2 ARG A 36 19.685 22.109 25.940 1.00 63.31 H new ATOM 0 HD3 ARG A 36 21.084 22.150 24.886 1.00 63.31 H new ATOM 0 HE ARG A 36 19.347 24.353 24.250 1.00 44.34 H new ATOM 0 HH11 ARG A 36 21.588 23.184 26.715 1.00 33.14 H new ATOM 0 HH12 ARG A 36 22.027 24.808 27.252 1.00 33.14 H new ATOM 0 HH21 ARG A 36 19.918 26.437 24.944 1.00 44.21 H new ATOM 0 HH22 ARG A 36 21.085 26.642 26.254 1.00 44.21 H new ATOM 583 N LYS A 37 16.287 24.291 23.064 1.00 54.22 N ATOM 584 CA LYS A 37 15.658 24.834 21.866 1.00 41.33 C ATOM 585 C LYS A 37 16.655 25.651 21.051 1.00 42.23 C ATOM 586 O LYS A 37 16.691 26.878 21.146 1.00 14.04 O ATOM 587 CB LYS A 37 14.457 25.704 22.246 1.00 53.22 C ATOM 588 CG LYS A 37 13.547 25.066 23.280 1.00 23.50 C ATOM 589 CD LYS A 37 12.848 23.836 22.724 1.00 41.44 C ATOM 590 CE LYS A 37 12.694 22.757 23.784 1.00 34.33 C ATOM 591 NZ LYS A 37 11.265 22.424 24.036 1.00 44.23 N ATOM 0 H LYS A 37 16.778 24.982 23.632 1.00 54.22 H new ATOM 0 HA LYS A 37 15.315 23.999 21.255 1.00 41.33 H new ATOM 0 HB2 LYS A 37 14.817 26.658 22.631 1.00 53.22 H new ATOM 0 HB3 LYS A 37 13.878 25.921 21.349 1.00 53.22 H new ATOM 0 HG2 LYS A 37 14.130 24.788 24.158 1.00 23.50 H new ATOM 0 HG3 LYS A 37 12.803 25.792 23.608 1.00 23.50 H new ATOM 0 HD2 LYS A 37 11.866 24.115 22.342 1.00 41.44 H new ATOM 0 HD3 LYS A 37 13.417 23.442 21.882 1.00 41.44 H new ATOM 0 HE2 LYS A 37 13.225 21.859 23.468 1.00 34.33 H new ATOM 0 HE3 LYS A 37 13.158 23.091 24.712 1.00 34.33 H new ATOM 0 HZ1 LYS A 37 11.207 21.575 24.634 1.00 44.23 H new ATOM 0 HZ2 LYS A 37 10.803 23.220 24.520 1.00 44.23 H new ATOM 0 HZ3 LYS A 37 10.786 22.244 23.131 1.00 44.23 H new ATOM 605 N GLY A 38 17.461 24.964 20.248 1.00 3.00 N ATOM 606 CA GLY A 38 18.445 25.644 19.426 1.00 54.31 C ATOM 607 C GLY A 38 19.144 24.705 18.463 1.00 12.44 C ATOM 608 O GLY A 38 19.397 23.545 18.789 1.00 52.11 O ATOM 0 H GLY A 38 17.450 23.949 20.152 1.00 3.00 H new ATOM 0 HA2 GLY A 38 17.957 26.439 18.863 1.00 54.31 H new ATOM 0 HA3 GLY A 38 19.186 26.118 20.069 1.00 54.31 H new ATOM 612 N ALA A 39 19.456 25.206 17.272 1.00 35.11 N ATOM 613 CA ALA A 39 20.131 24.403 16.259 1.00 11.41 C ATOM 614 C ALA A 39 21.607 24.219 16.598 1.00 72.15 C ATOM 615 O ALA A 39 22.161 23.133 16.427 1.00 41.25 O ATOM 616 CB ALA A 39 19.978 25.047 14.889 1.00 34.11 C ATOM 0 H ALA A 39 19.252 26.163 16.985 1.00 35.11 H new ATOM 0 HA ALA A 39 19.665 23.418 16.240 1.00 11.41 H new ATOM 0 HB1 ALA A 39 20.486 24.438 14.142 1.00 34.11 H new ATOM 0 HB2 ALA A 39 18.920 25.121 14.638 1.00 34.11 H new ATOM 0 HB3 ALA A 39 20.418 26.044 14.905 1.00 34.11 H new ATOM 622 N ASN A 40 22.237 25.285 17.078 1.00 44.33 N ATOM 623 CA ASN A 40 23.648 25.241 17.440 1.00 14.34 C ATOM 624 C ASN A 40 23.856 24.451 18.728 1.00 31.13 C ATOM 625 O ASN A 40 24.900 23.831 18.927 1.00 4.44 O ATOM 626 CB ASN A 40 24.200 26.659 17.604 1.00 24.23 C ATOM 627 CG ASN A 40 25.519 26.853 16.882 1.00 53.33 C ATOM 628 OD1 ASN A 40 25.552 27.288 15.731 1.00 42.45 O ATOM 629 ND2 ASN A 40 26.616 26.531 17.557 1.00 31.13 N ATOM 0 H ASN A 40 21.792 26.191 17.225 1.00 44.33 H new ATOM 0 HA ASN A 40 24.187 24.739 16.636 1.00 14.34 H new ATOM 0 HB2 ASN A 40 23.472 27.376 17.224 1.00 24.23 H new ATOM 0 HB3 ASN A 40 24.334 26.873 18.664 1.00 24.23 H new ATOM 0 HD21 ASN A 40 27.533 26.641 17.123 1.00 31.13 H new ATOM 0 HD22 ASN A 40 26.542 26.174 18.510 1.00 31.13 H new ATOM 636 N GLU A 41 22.852 24.476 19.599 1.00 53.33 N ATOM 637 CA GLU A 41 22.925 23.763 20.869 1.00 30.13 C ATOM 638 C GLU A 41 22.686 22.270 20.668 1.00 32.54 C ATOM 639 O GLU A 41 23.225 21.440 21.400 1.00 22.41 O ATOM 640 CB GLU A 41 21.900 24.325 21.856 1.00 11.32 C ATOM 641 CG GLU A 41 22.063 25.812 22.121 1.00 41.31 C ATOM 642 CD GLU A 41 23.467 26.175 22.565 1.00 30.14 C ATOM 643 OE1 GLU A 41 23.853 25.787 23.688 1.00 63.20 O ATOM 644 OE2 GLU A 41 24.180 26.847 21.790 1.00 75.22 O ATOM 0 H GLU A 41 21.979 24.982 19.449 1.00 53.33 H new ATOM 0 HA GLU A 41 23.926 23.903 21.277 1.00 30.13 H new ATOM 0 HB2 GLU A 41 20.897 24.141 21.470 1.00 11.32 H new ATOM 0 HB3 GLU A 41 21.982 23.785 22.799 1.00 11.32 H new ATOM 0 HG2 GLU A 41 21.817 26.368 21.216 1.00 41.31 H new ATOM 0 HG3 GLU A 41 21.352 26.121 22.888 1.00 41.31 H new ATOM 651 N ALA A 42 21.875 21.935 19.669 1.00 42.04 N ATOM 652 CA ALA A 42 21.566 20.543 19.370 1.00 30.41 C ATOM 653 C ALA A 42 22.840 19.721 19.198 1.00 45.43 C ATOM 654 O ALA A 42 22.876 18.535 19.523 1.00 63.43 O ATOM 655 CB ALA A 42 20.703 20.450 18.120 1.00 50.23 C ATOM 0 H ALA A 42 21.420 22.609 19.053 1.00 42.04 H new ATOM 0 HA ALA A 42 21.011 20.132 20.213 1.00 30.41 H new ATOM 0 HB1 ALA A 42 20.480 19.404 17.909 1.00 50.23 H new ATOM 0 HB2 ALA A 42 19.772 20.994 18.279 1.00 50.23 H new ATOM 0 HB3 ALA A 42 21.238 20.885 17.275 1.00 50.23 H new ATOM 661 N THR A 43 23.886 20.361 18.682 1.00 64.44 N ATOM 662 CA THR A 43 25.160 19.690 18.465 1.00 43.32 C ATOM 663 C THR A 43 25.983 19.643 19.747 1.00 61.33 C ATOM 664 O THR A 43 26.829 18.766 19.922 1.00 53.54 O ATOM 665 CB THR A 43 25.983 20.390 17.366 1.00 4.00 C ATOM 666 OG1 THR A 43 26.322 21.718 17.779 1.00 43.45 O ATOM 667 CG2 THR A 43 25.206 20.443 16.060 1.00 21.05 C ATOM 0 H THR A 43 23.874 21.343 18.407 1.00 64.44 H new ATOM 0 HA THR A 43 24.931 18.673 18.146 1.00 43.32 H new ATOM 0 HB THR A 43 26.896 19.816 17.205 1.00 4.00 H new ATOM 0 HG1 THR A 43 25.505 22.208 18.007 1.00 43.45 H new ATOM 0 HG21 THR A 43 25.807 20.941 15.299 1.00 21.05 H new ATOM 0 HG22 THR A 43 24.974 19.429 15.733 1.00 21.05 H new ATOM 0 HG23 THR A 43 24.279 20.996 16.210 1.00 21.05 H new ATOM 675 N LYS A 44 25.728 20.592 20.643 1.00 31.43 N ATOM 676 CA LYS A 44 26.444 20.659 21.911 1.00 33.43 C ATOM 677 C LYS A 44 25.993 19.542 22.849 1.00 12.14 C ATOM 678 O LYS A 44 26.806 18.945 23.556 1.00 13.24 O ATOM 679 CB LYS A 44 26.220 22.018 22.576 1.00 71.02 C ATOM 680 CG LYS A 44 26.819 23.179 21.802 1.00 62.04 C ATOM 681 CD LYS A 44 27.169 24.339 22.719 1.00 34.21 C ATOM 682 CE LYS A 44 28.621 24.761 22.554 1.00 2.33 C ATOM 683 NZ LYS A 44 28.902 26.059 23.228 1.00 71.51 N ATOM 0 H LYS A 44 25.031 21.325 20.514 1.00 31.43 H new ATOM 0 HA LYS A 44 27.507 20.533 21.707 1.00 33.43 H new ATOM 0 HB2 LYS A 44 25.149 22.184 22.693 1.00 71.02 H new ATOM 0 HB3 LYS A 44 26.651 21.999 23.577 1.00 71.02 H new ATOM 0 HG2 LYS A 44 27.715 22.845 21.278 1.00 62.04 H new ATOM 0 HG3 LYS A 44 26.112 23.514 21.043 1.00 62.04 H new ATOM 0 HD2 LYS A 44 26.516 25.185 22.503 1.00 34.21 H new ATOM 0 HD3 LYS A 44 26.988 24.053 23.755 1.00 34.21 H new ATOM 0 HE2 LYS A 44 29.272 23.990 22.965 1.00 2.33 H new ATOM 0 HE3 LYS A 44 28.857 24.844 21.493 1.00 2.33 H new ATOM 0 HZ1 LYS A 44 29.902 26.311 23.092 1.00 71.51 H new ATOM 0 HZ2 LYS A 44 28.299 26.801 22.818 1.00 71.51 H new ATOM 0 HZ3 LYS A 44 28.702 25.973 24.245 1.00 71.51 H new ATOM 697 N THR A 45 24.694 19.262 22.848 1.00 52.12 N ATOM 698 CA THR A 45 24.136 18.218 23.697 1.00 74.20 C ATOM 699 C THR A 45 24.866 16.895 23.493 1.00 52.42 C ATOM 700 O THR A 45 25.433 16.335 24.433 1.00 1.51 O ATOM 701 CB THR A 45 22.635 18.011 23.422 1.00 31.02 C ATOM 702 OG1 THR A 45 22.335 18.352 22.064 1.00 3.22 O ATOM 703 CG2 THR A 45 21.790 18.857 24.362 1.00 5.13 C ATOM 0 H THR A 45 24.008 19.745 22.268 1.00 52.12 H new ATOM 0 HA THR A 45 24.266 18.547 24.728 1.00 74.20 H new ATOM 0 HB THR A 45 22.398 16.961 23.594 1.00 31.02 H new ATOM 0 HG1 THR A 45 23.044 18.014 21.478 1.00 3.22 H new ATOM 0 HG21 THR A 45 20.734 18.694 24.148 1.00 5.13 H new ATOM 0 HG22 THR A 45 21.999 18.574 25.394 1.00 5.13 H new ATOM 0 HG23 THR A 45 22.030 19.910 24.219 1.00 5.13 H new ATOM 711 N LEU A 46 24.849 16.399 22.261 1.00 51.21 N ATOM 712 CA LEU A 46 25.511 15.141 21.933 1.00 44.43 C ATOM 713 C LEU A 46 27.015 15.240 22.167 1.00 13.12 C ATOM 714 O LEU A 46 27.668 14.251 22.495 1.00 73.44 O ATOM 715 CB LEU A 46 25.233 14.761 20.478 1.00 14.33 C ATOM 716 CG LEU A 46 26.002 15.552 19.419 1.00 64.34 C ATOM 717 CD1 LEU A 46 27.311 14.857 19.080 1.00 2.23 C ATOM 718 CD2 LEU A 46 25.153 15.733 18.169 1.00 44.44 C ATOM 0 H LEU A 46 24.384 16.849 21.472 1.00 51.21 H new ATOM 0 HA LEU A 46 25.111 14.366 22.587 1.00 44.43 H new ATOM 0 HB2 LEU A 46 25.462 13.703 20.350 1.00 14.33 H new ATOM 0 HB3 LEU A 46 24.166 14.882 20.289 1.00 14.33 H new ATOM 0 HG LEU A 46 26.232 16.537 19.824 1.00 64.34 H new ATOM 0 HD11 LEU A 46 27.845 15.434 18.325 1.00 2.23 H new ATOM 0 HD12 LEU A 46 27.925 14.779 19.978 1.00 2.23 H new ATOM 0 HD13 LEU A 46 27.104 13.859 18.694 1.00 2.23 H new ATOM 0 HD21 LEU A 46 25.716 16.298 17.426 1.00 44.44 H new ATOM 0 HD22 LEU A 46 24.893 14.756 17.761 1.00 44.44 H new ATOM 0 HD23 LEU A 46 24.242 16.275 18.423 1.00 44.44 H new ATOM 730 N ASN A 47 27.558 16.442 21.997 1.00 22.54 N ATOM 731 CA ASN A 47 28.985 16.669 22.190 1.00 53.31 C ATOM 732 C ASN A 47 29.379 16.447 23.648 1.00 25.13 C ATOM 733 O ASN A 47 30.526 16.116 23.948 1.00 42.15 O ATOM 734 CB ASN A 47 29.359 18.089 21.761 1.00 50.24 C ATOM 735 CG ASN A 47 30.832 18.386 21.962 1.00 24.20 C ATOM 736 OD1 ASN A 47 31.692 17.572 21.625 1.00 4.41 O ATOM 737 ND2 ASN A 47 31.130 19.556 22.515 1.00 32.10 N ATOM 0 H ASN A 47 27.031 17.272 21.726 1.00 22.54 H new ATOM 0 HA ASN A 47 29.528 15.954 21.572 1.00 53.31 H new ATOM 0 HB2 ASN A 47 29.104 18.227 20.710 1.00 50.24 H new ATOM 0 HB3 ASN A 47 28.766 18.805 22.330 1.00 50.24 H new ATOM 0 HD21 ASN A 47 32.105 19.811 22.676 1.00 32.10 H new ATOM 0 HD22 ASN A 47 30.384 20.200 22.779 1.00 32.10 H new ATOM 744 N ARG A 48 28.419 16.631 24.549 1.00 11.22 N ATOM 745 CA ARG A 48 28.665 16.452 25.974 1.00 50.22 C ATOM 746 C ARG A 48 28.402 15.009 26.394 1.00 35.33 C ATOM 747 O ARG A 48 28.949 14.530 27.386 1.00 52.23 O ATOM 748 CB ARG A 48 27.783 17.400 26.790 1.00 22.35 C ATOM 749 CG ARG A 48 28.286 17.636 28.204 1.00 14.13 C ATOM 750 CD ARG A 48 27.213 18.260 29.081 1.00 72.12 C ATOM 751 NE ARG A 48 26.930 19.641 28.700 1.00 54.43 N ATOM 752 CZ ARG A 48 27.733 20.661 28.985 1.00 21.32 C ATOM 753 NH1 ARG A 48 28.862 20.454 29.648 1.00 43.22 N ATOM 754 NH2 ARG A 48 27.407 21.890 28.605 1.00 70.51 N ATOM 0 H ARG A 48 27.464 16.904 24.317 1.00 11.22 H new ATOM 0 HA ARG A 48 29.712 16.684 26.168 1.00 50.22 H new ATOM 0 HB2 ARG A 48 27.718 18.357 26.273 1.00 22.35 H new ATOM 0 HB3 ARG A 48 26.773 16.993 26.836 1.00 22.35 H new ATOM 0 HG2 ARG A 48 28.608 16.690 28.639 1.00 14.13 H new ATOM 0 HG3 ARG A 48 29.159 18.288 28.176 1.00 14.13 H new ATOM 0 HD2 ARG A 48 26.299 17.670 29.011 1.00 72.12 H new ATOM 0 HD3 ARG A 48 27.533 18.230 30.123 1.00 72.12 H new ATOM 0 HE ARG A 48 26.069 19.833 28.187 1.00 54.43 H new ATOM 0 HH11 ARG A 48 29.116 19.510 29.941 1.00 43.22 H new ATOM 0 HH12 ARG A 48 29.477 21.238 29.866 1.00 43.22 H new ATOM 0 HH21 ARG A 48 26.539 22.052 28.094 1.00 70.51 H new ATOM 0 HH22 ARG A 48 28.024 22.672 28.824 1.00 70.51 H new ATOM 768 N GLY A 49 27.559 14.319 25.630 1.00 11.40 N ATOM 769 CA GLY A 49 27.239 12.938 25.938 1.00 44.44 C ATOM 770 C GLY A 49 25.916 12.800 26.666 1.00 73.03 C ATOM 771 O GLY A 49 25.811 12.050 27.638 1.00 75.01 O ATOM 0 H GLY A 49 27.093 14.693 24.803 1.00 11.40 H new ATOM 0 HA2 GLY A 49 27.204 12.361 25.014 1.00 44.44 H new ATOM 0 HA3 GLY A 49 28.034 12.511 26.550 1.00 44.44 H new ATOM 775 N ILE A 50 24.906 13.524 26.199 1.00 10.40 N ATOM 776 CA ILE A 50 23.585 13.479 26.813 1.00 11.03 C ATOM 777 C ILE A 50 22.486 13.597 25.763 1.00 20.11 C ATOM 778 O ILE A 50 21.342 13.921 26.081 1.00 24.21 O ATOM 779 CB ILE A 50 23.409 14.600 27.853 1.00 63.25 C ATOM 780 CG1 ILE A 50 23.639 15.967 27.205 1.00 11.50 C ATOM 781 CG2 ILE A 50 24.362 14.395 29.021 1.00 62.12 C ATOM 782 CD1 ILE A 50 22.389 16.569 26.602 1.00 30.41 C ATOM 0 H ILE A 50 24.977 14.150 25.397 1.00 10.40 H new ATOM 0 HA ILE A 50 23.503 12.514 27.314 1.00 11.03 H new ATOM 0 HB ILE A 50 22.388 14.565 28.233 1.00 63.25 H new ATOM 0 HG12 ILE A 50 24.038 16.652 27.953 1.00 11.50 H new ATOM 0 HG13 ILE A 50 24.396 15.868 26.427 1.00 11.50 H new ATOM 0 HG21 ILE A 50 24.225 15.196 29.747 1.00 62.12 H new ATOM 0 HG22 ILE A 50 24.155 13.436 29.495 1.00 62.12 H new ATOM 0 HG23 ILE A 50 25.390 14.406 28.658 1.00 62.12 H new ATOM 0 HD11 ILE A 50 22.628 17.537 26.161 1.00 30.41 H new ATOM 0 HD12 ILE A 50 22.001 15.904 25.830 1.00 30.41 H new ATOM 0 HD13 ILE A 50 21.637 16.700 27.380 1.00 30.41 H new ATOM 794 N SER A 51 22.841 13.332 24.509 1.00 40.41 N ATOM 795 CA SER A 51 21.885 13.412 23.411 1.00 21.54 C ATOM 796 C SER A 51 21.200 12.066 23.190 1.00 63.41 C ATOM 797 O SER A 51 21.682 11.231 22.426 1.00 74.31 O ATOM 798 CB SER A 51 22.588 13.856 22.126 1.00 75.14 C ATOM 799 OG SER A 51 21.750 13.675 20.999 1.00 45.23 O ATOM 0 H SER A 51 23.783 13.060 24.229 1.00 40.41 H new ATOM 0 HA SER A 51 21.126 14.149 23.675 1.00 21.54 H new ATOM 0 HB2 SER A 51 22.872 14.905 22.207 1.00 75.14 H new ATOM 0 HB3 SER A 51 23.508 13.286 21.995 1.00 75.14 H new ATOM 0 HG SER A 51 22.301 13.559 20.197 1.00 45.23 H new ATOM 805 N GLU A 52 20.071 11.866 23.863 1.00 74.21 N ATOM 806 CA GLU A 52 19.320 10.623 23.742 1.00 63.51 C ATOM 807 C GLU A 52 18.031 10.840 22.954 1.00 1.41 C ATOM 808 O GLU A 52 17.521 9.923 22.311 1.00 61.15 O ATOM 809 CB GLU A 52 18.994 10.060 25.126 1.00 14.10 C ATOM 810 CG GLU A 52 19.593 8.686 25.382 1.00 51.14 C ATOM 811 CD GLU A 52 21.073 8.627 25.060 1.00 74.01 C ATOM 812 OE1 GLU A 52 21.752 9.668 25.189 1.00 62.11 O ATOM 813 OE2 GLU A 52 21.554 7.539 24.681 1.00 60.41 O ATOM 0 H GLU A 52 19.657 12.549 24.497 1.00 74.21 H new ATOM 0 HA GLU A 52 19.940 9.907 23.203 1.00 63.51 H new ATOM 0 HB2 GLU A 52 19.357 10.752 25.885 1.00 14.10 H new ATOM 0 HB3 GLU A 52 17.911 10.002 25.239 1.00 14.10 H new ATOM 0 HG2 GLU A 52 19.441 8.416 26.427 1.00 51.14 H new ATOM 0 HG3 GLU A 52 19.064 7.946 24.782 1.00 51.14 H new ATOM 820 N PHE A 53 17.511 12.062 23.007 1.00 72.31 N ATOM 821 CA PHE A 53 16.282 12.401 22.300 1.00 54.24 C ATOM 822 C PHE A 53 16.444 13.704 21.522 1.00 61.03 C ATOM 823 O PHE A 53 17.012 14.673 22.026 1.00 51.30 O ATOM 824 CB PHE A 53 15.118 12.525 23.287 1.00 2.05 C ATOM 825 CG PHE A 53 13.998 11.562 23.015 1.00 51.44 C ATOM 826 CD1 PHE A 53 12.972 11.901 22.148 1.00 3.20 C ATOM 827 CD2 PHE A 53 13.970 10.320 23.626 1.00 41.24 C ATOM 828 CE1 PHE A 53 11.938 11.019 21.896 1.00 14.54 C ATOM 829 CE2 PHE A 53 12.940 9.433 23.378 1.00 12.01 C ATOM 830 CZ PHE A 53 11.923 9.782 22.511 1.00 50.12 C ATOM 0 H PHE A 53 17.922 12.834 23.532 1.00 72.31 H new ATOM 0 HA PHE A 53 16.066 11.600 21.593 1.00 54.24 H new ATOM 0 HB2 PHE A 53 15.490 12.361 24.298 1.00 2.05 H new ATOM 0 HB3 PHE A 53 14.729 13.542 23.252 1.00 2.05 H new ATOM 0 HD1 PHE A 53 12.980 12.866 21.663 1.00 3.20 H new ATOM 0 HD2 PHE A 53 14.763 10.041 24.305 1.00 41.24 H new ATOM 0 HE1 PHE A 53 11.143 11.296 21.219 1.00 14.54 H new ATOM 0 HE2 PHE A 53 12.930 8.467 23.862 1.00 12.01 H new ATOM 0 HZ PHE A 53 11.118 9.089 22.314 1.00 50.12 H new ATOM 840 N ILE A 54 15.940 13.718 20.293 1.00 13.02 N ATOM 841 CA ILE A 54 16.029 14.901 19.445 1.00 55.41 C ATOM 842 C ILE A 54 14.817 15.011 18.527 1.00 33.51 C ATOM 843 O ILE A 54 14.474 14.065 17.818 1.00 4.02 O ATOM 844 CB ILE A 54 17.309 14.885 18.588 1.00 64.45 C ATOM 845 CG1 ILE A 54 18.542 14.711 19.477 1.00 42.21 C ATOM 846 CG2 ILE A 54 17.414 16.164 17.771 1.00 14.35 C ATOM 847 CD1 ILE A 54 19.842 14.662 18.705 1.00 65.53 C ATOM 0 H ILE A 54 15.466 12.924 19.862 1.00 13.02 H new ATOM 0 HA ILE A 54 16.058 15.764 20.110 1.00 55.41 H new ATOM 0 HB ILE A 54 17.259 14.041 17.901 1.00 64.45 H new ATOM 0 HG12 ILE A 54 18.584 15.533 20.191 1.00 42.21 H new ATOM 0 HG13 ILE A 54 18.437 13.792 20.054 1.00 42.21 H new ATOM 0 HG21 ILE A 54 18.323 16.139 17.170 1.00 14.35 H new ATOM 0 HG22 ILE A 54 16.548 16.249 17.115 1.00 14.35 H new ATOM 0 HG23 ILE A 54 17.446 17.023 18.442 1.00 14.35 H new ATOM 0 HD11 ILE A 54 20.673 14.537 19.399 1.00 65.53 H new ATOM 0 HD12 ILE A 54 19.821 13.823 18.010 1.00 65.53 H new ATOM 0 HD13 ILE A 54 19.970 15.591 18.149 1.00 65.53 H new ATOM 859 N VAL A 55 14.171 16.172 18.544 1.00 51.04 N ATOM 860 CA VAL A 55 12.998 16.408 17.711 1.00 1.20 C ATOM 861 C VAL A 55 13.162 17.675 16.878 1.00 23.20 C ATOM 862 O VAL A 55 13.603 18.708 17.381 1.00 21.51 O ATOM 863 CB VAL A 55 11.720 16.527 18.562 1.00 64.21 C ATOM 864 CG1 VAL A 55 10.502 16.721 17.671 1.00 34.11 C ATOM 865 CG2 VAL A 55 11.553 15.302 19.447 1.00 11.30 C ATOM 0 H VAL A 55 14.440 16.965 19.126 1.00 51.04 H new ATOM 0 HA VAL A 55 12.903 15.549 17.046 1.00 1.20 H new ATOM 0 HB VAL A 55 11.813 17.402 19.206 1.00 64.21 H new ATOM 0 HG11 VAL A 55 9.608 16.803 18.289 1.00 34.11 H new ATOM 0 HG12 VAL A 55 10.622 17.632 17.084 1.00 34.11 H new ATOM 0 HG13 VAL A 55 10.402 15.867 17.000 1.00 34.11 H new ATOM 0 HG21 VAL A 55 10.645 15.403 20.041 1.00 11.30 H new ATOM 0 HG22 VAL A 55 11.481 14.410 18.824 1.00 11.30 H new ATOM 0 HG23 VAL A 55 12.413 15.213 20.111 1.00 11.30 H new ATOM 875 N MET A 56 12.802 17.587 15.601 1.00 71.32 N ATOM 876 CA MET A 56 12.906 18.728 14.698 1.00 33.11 C ATOM 877 C MET A 56 11.781 18.712 13.669 1.00 73.53 C ATOM 878 O MET A 56 11.175 17.671 13.415 1.00 41.32 O ATOM 879 CB MET A 56 14.261 18.720 13.989 1.00 5.24 C ATOM 880 CG MET A 56 15.433 18.444 14.918 1.00 72.41 C ATOM 881 SD MET A 56 16.999 18.295 14.036 1.00 63.32 S ATOM 882 CE MET A 56 17.718 19.904 14.349 1.00 40.40 C ATOM 0 H MET A 56 12.436 16.739 15.169 1.00 71.32 H new ATOM 0 HA MET A 56 12.818 19.638 15.291 1.00 33.11 H new ATOM 0 HB2 MET A 56 14.246 17.965 13.203 1.00 5.24 H new ATOM 0 HB3 MET A 56 14.413 19.684 13.503 1.00 5.24 H new ATOM 0 HG2 MET A 56 15.508 19.248 15.650 1.00 72.41 H new ATOM 0 HG3 MET A 56 15.244 17.525 15.472 1.00 72.41 H new ATOM 0 HE1 MET A 56 18.593 20.041 13.714 1.00 40.40 H new ATOM 0 HE2 MET A 56 16.984 20.679 14.129 1.00 40.40 H new ATOM 0 HE3 MET A 56 18.015 19.972 15.396 1.00 40.40 H new ATOM 892 N ALA A 57 11.506 19.871 13.082 1.00 62.45 N ATOM 893 CA ALA A 57 10.454 19.989 12.080 1.00 60.34 C ATOM 894 C ALA A 57 10.929 19.483 10.723 1.00 64.30 C ATOM 895 O ALA A 57 12.080 19.692 10.340 1.00 5.53 O ATOM 896 CB ALA A 57 9.986 21.433 11.973 1.00 40.31 C ATOM 0 H ALA A 57 11.997 20.742 13.283 1.00 62.45 H new ATOM 0 HA ALA A 57 9.615 19.369 12.396 1.00 60.34 H new ATOM 0 HB1 ALA A 57 9.200 21.506 11.221 1.00 40.31 H new ATOM 0 HB2 ALA A 57 9.597 21.762 12.937 1.00 40.31 H new ATOM 0 HB3 ALA A 57 10.825 22.067 11.684 1.00 40.31 H new ATOM 902 N ALA A 58 10.036 18.815 9.999 1.00 4.31 N ATOM 903 CA ALA A 58 10.365 18.281 8.683 1.00 22.12 C ATOM 904 C ALA A 58 10.775 19.394 7.724 1.00 55.43 C ATOM 905 O ALA A 58 11.563 19.175 6.805 1.00 60.32 O ATOM 906 CB ALA A 58 9.184 17.505 8.119 1.00 21.35 C ATOM 0 H ALA A 58 9.080 18.631 10.302 1.00 4.31 H new ATOM 0 HA ALA A 58 11.212 17.604 8.795 1.00 22.12 H new ATOM 0 HB1 ALA A 58 9.443 17.112 7.136 1.00 21.35 H new ATOM 0 HB2 ALA A 58 8.939 16.679 8.787 1.00 21.35 H new ATOM 0 HB3 ALA A 58 8.323 18.167 8.029 1.00 21.35 H new ATOM 912 N ASP A 59 10.235 20.588 7.947 1.00 11.43 N ATOM 913 CA ASP A 59 10.547 21.736 7.103 1.00 64.11 C ATOM 914 C ASP A 59 11.244 22.829 7.907 1.00 70.02 C ATOM 915 O ASP A 59 11.167 24.009 7.565 1.00 75.31 O ATOM 916 CB ASP A 59 9.270 22.289 6.468 1.00 23.04 C ATOM 917 CG ASP A 59 9.557 23.232 5.315 1.00 54.53 C ATOM 918 OD1 ASP A 59 10.689 23.197 4.790 1.00 15.53 O ATOM 919 OD2 ASP A 59 8.651 24.005 4.941 1.00 51.44 O ATOM 0 H ASP A 59 9.580 20.786 8.704 1.00 11.43 H new ATOM 0 HA ASP A 59 11.223 21.404 6.315 1.00 64.11 H new ATOM 0 HB2 ASP A 59 8.657 21.461 6.112 1.00 23.04 H new ATOM 0 HB3 ASP A 59 8.689 22.813 7.226 1.00 23.04 H new ATOM 924 N ALA A 60 11.922 22.427 8.977 1.00 51.52 N ATOM 925 CA ALA A 60 12.634 23.372 9.829 1.00 65.15 C ATOM 926 C ALA A 60 14.003 23.710 9.249 1.00 53.22 C ATOM 927 O ALA A 60 14.826 22.824 9.020 1.00 41.05 O ATOM 928 CB ALA A 60 12.778 22.809 11.235 1.00 3.13 C ATOM 0 H ALA A 60 11.993 21.454 9.274 1.00 51.52 H new ATOM 0 HA ALA A 60 12.052 24.292 9.876 1.00 65.15 H new ATOM 0 HB1 ALA A 60 13.311 23.525 11.861 1.00 3.13 H new ATOM 0 HB2 ALA A 60 11.790 22.625 11.656 1.00 3.13 H new ATOM 0 HB3 ALA A 60 13.336 21.874 11.197 1.00 3.13 H new ATOM 934 N GLU A 61 14.240 24.997 9.014 1.00 63.14 N ATOM 935 CA GLU A 61 15.509 25.452 8.459 1.00 21.41 C ATOM 936 C GLU A 61 16.253 26.335 9.456 1.00 21.12 C ATOM 937 O GLU A 61 15.675 26.869 10.403 1.00 21.01 O ATOM 938 CB GLU A 61 15.276 26.217 7.155 1.00 11.33 C ATOM 939 CG GLU A 61 15.403 25.354 5.911 1.00 63.24 C ATOM 940 CD GLU A 61 14.663 25.934 4.722 1.00 25.25 C ATOM 941 OE1 GLU A 61 13.528 26.420 4.909 1.00 63.13 O ATOM 942 OE2 GLU A 61 15.217 25.901 3.603 1.00 50.41 O ATOM 0 H GLU A 61 13.569 25.743 9.200 1.00 63.14 H new ATOM 0 HA GLU A 61 16.121 24.575 8.251 1.00 21.41 H new ATOM 0 HB2 GLU A 61 14.281 26.662 7.178 1.00 11.33 H new ATOM 0 HB3 GLU A 61 15.991 27.037 7.092 1.00 11.33 H new ATOM 0 HG2 GLU A 61 16.457 25.240 5.658 1.00 63.24 H new ATOM 0 HG3 GLU A 61 15.017 24.357 6.124 1.00 63.24 H new ATOM 949 N PRO A 62 17.567 26.494 9.239 1.00 13.12 N ATOM 950 CA PRO A 62 18.266 25.863 8.115 1.00 3.42 C ATOM 951 C PRO A 62 18.375 24.351 8.276 1.00 35.03 C ATOM 952 O PRO A 62 18.581 23.847 9.381 1.00 11.30 O ATOM 953 CB PRO A 62 19.654 26.507 8.154 1.00 12.32 C ATOM 954 CG PRO A 62 19.839 26.924 9.572 1.00 21.20 C ATOM 955 CD PRO A 62 18.472 27.301 10.074 1.00 44.44 C ATOM 0 HA PRO A 62 17.739 26.011 7.172 1.00 3.42 H new ATOM 0 HB2 PRO A 62 20.426 25.802 7.845 1.00 12.32 H new ATOM 0 HB3 PRO A 62 19.713 27.361 7.479 1.00 12.32 H new ATOM 0 HG2 PRO A 62 20.263 26.114 10.165 1.00 21.20 H new ATOM 0 HG3 PRO A 62 20.527 27.766 9.645 1.00 21.20 H new ATOM 0 HD2 PRO A 62 18.355 27.070 11.133 1.00 44.44 H new ATOM 0 HD3 PRO A 62 18.281 28.368 9.958 1.00 44.44 H new ATOM 963 N LEU A 63 18.238 23.631 7.168 1.00 5.21 N ATOM 964 CA LEU A 63 18.322 22.175 7.186 1.00 63.11 C ATOM 965 C LEU A 63 19.749 21.708 6.913 1.00 45.23 C ATOM 966 O LEU A 63 20.149 20.626 7.338 1.00 54.53 O ATOM 967 CB LEU A 63 17.371 21.577 6.148 1.00 62.55 C ATOM 968 CG LEU A 63 16.719 20.245 6.525 1.00 3.34 C ATOM 969 CD1 LEU A 63 15.269 20.457 6.931 1.00 53.02 C ATOM 970 CD2 LEU A 63 16.812 19.261 5.367 1.00 51.14 C ATOM 0 H LEU A 63 18.068 24.032 6.246 1.00 5.21 H new ATOM 0 HA LEU A 63 18.030 21.831 8.178 1.00 63.11 H new ATOM 0 HB2 LEU A 63 16.582 22.301 5.948 1.00 62.55 H new ATOM 0 HB3 LEU A 63 17.921 21.439 5.217 1.00 62.55 H new ATOM 0 HG LEU A 63 17.256 19.827 7.377 1.00 3.34 H new ATOM 0 HD11 LEU A 63 14.821 19.499 7.196 1.00 53.02 H new ATOM 0 HD12 LEU A 63 15.226 21.127 7.789 1.00 53.02 H new ATOM 0 HD13 LEU A 63 14.719 20.897 6.099 1.00 53.02 H new ATOM 0 HD21 LEU A 63 16.344 18.319 5.652 1.00 51.14 H new ATOM 0 HD22 LEU A 63 16.300 19.673 4.498 1.00 51.14 H new ATOM 0 HD23 LEU A 63 17.859 19.086 5.122 1.00 51.14 H new ATOM 982 N GLU A 64 20.509 22.534 6.201 1.00 0.12 N ATOM 983 CA GLU A 64 21.891 22.207 5.872 1.00 35.24 C ATOM 984 C GLU A 64 22.686 21.877 7.133 1.00 13.21 C ATOM 985 O GLU A 64 23.635 21.092 7.094 1.00 64.32 O ATOM 986 CB GLU A 64 22.552 23.368 5.129 1.00 12.44 C ATOM 987 CG GLU A 64 22.889 23.051 3.681 1.00 14.30 C ATOM 988 CD GLU A 64 24.265 23.548 3.280 1.00 42.14 C ATOM 989 OE1 GLU A 64 24.503 24.771 3.371 1.00 60.44 O ATOM 990 OE2 GLU A 64 25.102 22.716 2.875 1.00 55.32 O ATOM 0 H GLU A 64 20.191 23.434 5.841 1.00 0.12 H new ATOM 0 HA GLU A 64 21.885 21.329 5.225 1.00 35.24 H new ATOM 0 HB2 GLU A 64 21.888 24.232 5.158 1.00 12.44 H new ATOM 0 HB3 GLU A 64 23.465 23.650 5.652 1.00 12.44 H new ATOM 0 HG2 GLU A 64 22.837 21.973 3.527 1.00 14.30 H new ATOM 0 HG3 GLU A 64 22.140 23.502 3.030 1.00 14.30 H new ATOM 997 N ILE A 65 22.293 22.483 8.248 1.00 14.52 N ATOM 998 CA ILE A 65 22.969 22.254 9.520 1.00 22.03 C ATOM 999 C ILE A 65 22.373 21.055 10.250 1.00 74.12 C ATOM 1000 O ILE A 65 23.053 20.393 11.035 1.00 2.05 O ATOM 1001 CB ILE A 65 22.884 23.491 10.433 1.00 42.23 C ATOM 1002 CG1 ILE A 65 23.676 24.652 9.829 1.00 54.55 C ATOM 1003 CG2 ILE A 65 23.398 23.159 11.825 1.00 31.45 C ATOM 1004 CD1 ILE A 65 22.853 25.537 8.919 1.00 54.54 C ATOM 0 H ILE A 65 21.511 23.136 8.297 1.00 14.52 H new ATOM 0 HA ILE A 65 24.016 22.054 9.290 1.00 22.03 H new ATOM 0 HB ILE A 65 21.840 23.792 10.516 1.00 42.23 H new ATOM 0 HG12 ILE A 65 24.089 25.258 10.636 1.00 54.55 H new ATOM 0 HG13 ILE A 65 24.520 24.252 9.267 1.00 54.55 H new ATOM 0 HG21 ILE A 65 23.331 24.044 12.458 1.00 31.45 H new ATOM 0 HG22 ILE A 65 22.795 22.359 12.254 1.00 31.45 H new ATOM 0 HG23 ILE A 65 24.437 22.836 11.762 1.00 31.45 H new ATOM 0 HD11 ILE A 65 23.479 26.338 8.527 1.00 54.54 H new ATOM 0 HD12 ILE A 65 22.462 24.945 8.092 1.00 54.54 H new ATOM 0 HD13 ILE A 65 22.024 25.966 9.482 1.00 54.54 H new ATOM 1016 N ILE A 66 21.101 20.781 9.986 1.00 71.43 N ATOM 1017 CA ILE A 66 20.414 19.660 10.616 1.00 15.11 C ATOM 1018 C ILE A 66 21.031 18.331 10.195 1.00 14.45 C ATOM 1019 O ILE A 66 20.918 17.329 10.902 1.00 51.13 O ATOM 1020 CB ILE A 66 18.914 19.650 10.268 1.00 22.01 C ATOM 1021 CG1 ILE A 66 18.245 20.935 10.759 1.00 72.33 C ATOM 1022 CG2 ILE A 66 18.237 18.429 10.872 1.00 55.10 C ATOM 1023 CD1 ILE A 66 16.803 21.071 10.323 1.00 31.31 C ATOM 0 H ILE A 66 20.524 21.320 9.340 1.00 71.43 H new ATOM 0 HA ILE A 66 20.527 19.786 11.693 1.00 15.11 H new ATOM 0 HB ILE A 66 18.809 19.600 9.184 1.00 22.01 H new ATOM 0 HG12 ILE A 66 18.291 20.966 11.848 1.00 72.33 H new ATOM 0 HG13 ILE A 66 18.809 21.792 10.392 1.00 72.33 H new ATOM 0 HG21 ILE A 66 17.177 18.437 10.617 1.00 55.10 H new ATOM 0 HG22 ILE A 66 18.699 17.524 10.477 1.00 55.10 H new ATOM 0 HG23 ILE A 66 18.349 18.450 11.956 1.00 55.10 H new ATOM 0 HD11 ILE A 66 16.393 22.005 10.707 1.00 31.31 H new ATOM 0 HD12 ILE A 66 16.751 21.072 9.234 1.00 31.31 H new ATOM 0 HD13 ILE A 66 16.224 20.234 10.713 1.00 31.31 H new ATOM 1035 N LEU A 67 21.687 18.329 9.040 1.00 31.03 N ATOM 1036 CA LEU A 67 22.325 17.123 8.524 1.00 33.10 C ATOM 1037 C LEU A 67 23.691 16.910 9.170 1.00 4.12 C ATOM 1038 O LEU A 67 24.181 15.784 9.255 1.00 30.03 O ATOM 1039 CB LEU A 67 22.476 17.212 7.004 1.00 64.32 C ATOM 1040 CG LEU A 67 23.661 18.033 6.494 1.00 41.00 C ATOM 1041 CD1 LEU A 67 24.879 17.144 6.293 1.00 30.21 C ATOM 1042 CD2 LEU A 67 23.299 18.744 5.199 1.00 2.31 C ATOM 0 H LEU A 67 21.791 19.149 8.443 1.00 31.03 H new ATOM 0 HA LEU A 67 21.690 16.272 8.771 1.00 33.10 H new ATOM 0 HB2 LEU A 67 22.563 16.200 6.608 1.00 64.32 H new ATOM 0 HB3 LEU A 67 21.561 17.638 6.592 1.00 64.32 H new ATOM 0 HG LEU A 67 23.906 18.786 7.243 1.00 41.00 H new ATOM 0 HD11 LEU A 67 25.712 17.745 5.930 1.00 30.21 H new ATOM 0 HD12 LEU A 67 25.152 16.681 7.241 1.00 30.21 H new ATOM 0 HD13 LEU A 67 24.647 16.368 5.564 1.00 30.21 H new ATOM 0 HD21 LEU A 67 24.154 19.323 4.851 1.00 2.31 H new ATOM 0 HD22 LEU A 67 23.028 18.007 4.443 1.00 2.31 H new ATOM 0 HD23 LEU A 67 22.455 19.412 5.374 1.00 2.31 H new ATOM 1054 N HIS A 68 24.300 18.000 9.627 1.00 44.03 N ATOM 1055 CA HIS A 68 25.608 17.933 10.268 1.00 31.31 C ATOM 1056 C HIS A 68 25.485 17.422 11.701 1.00 23.41 C ATOM 1057 O HIS A 68 26.442 16.894 12.267 1.00 32.14 O ATOM 1058 CB HIS A 68 26.275 19.309 10.261 1.00 63.43 C ATOM 1059 CG HIS A 68 27.588 19.335 9.543 1.00 0.21 C ATOM 1060 ND1 HIS A 68 27.708 19.649 8.206 1.00 10.51 N ATOM 1061 CD2 HIS A 68 28.843 19.084 9.983 1.00 12.11 C ATOM 1062 CE1 HIS A 68 28.980 19.589 7.854 1.00 51.22 C ATOM 1063 NE2 HIS A 68 29.690 19.249 8.915 1.00 44.10 N ATOM 0 H HIS A 68 23.908 18.940 9.565 1.00 44.03 H new ATOM 0 HA HIS A 68 26.226 17.235 9.703 1.00 31.31 H new ATOM 0 HB2 HIS A 68 25.601 20.028 9.795 1.00 63.43 H new ATOM 0 HB3 HIS A 68 26.427 19.635 11.290 1.00 63.43 H new ATOM 0 HD2 HIS A 68 29.126 18.806 10.987 1.00 12.11 H new ATOM 0 HE1 HIS A 68 29.373 19.785 6.867 1.00 51.22 H new ATOM 0 HE2 HIS A 68 30.703 19.129 8.937 1.00 44.10 H new ATOM 1071 N LEU A 69 24.300 17.582 12.281 1.00 41.41 N ATOM 1072 CA LEU A 69 24.052 17.137 13.648 1.00 1.50 C ATOM 1073 C LEU A 69 24.477 15.685 13.834 1.00 12.24 C ATOM 1074 O LEU A 69 25.333 15.363 14.660 1.00 5.20 O ATOM 1075 CB LEU A 69 22.571 17.295 13.995 1.00 61.02 C ATOM 1076 CG LEU A 69 22.201 18.530 14.818 1.00 22.00 C ATOM 1077 CD1 LEU A 69 20.727 18.864 14.648 1.00 2.25 C ATOM 1078 CD2 LEU A 69 22.535 18.313 16.286 1.00 74.22 C ATOM 0 H LEU A 69 23.497 18.016 11.826 1.00 41.41 H new ATOM 0 HA LEU A 69 24.645 17.758 14.319 1.00 1.50 H new ATOM 0 HB2 LEU A 69 22.002 17.319 13.066 1.00 61.02 H new ATOM 0 HB3 LEU A 69 22.251 16.409 14.543 1.00 61.02 H new ATOM 0 HG LEU A 69 22.787 19.374 14.454 1.00 22.00 H new ATOM 0 HD11 LEU A 69 20.483 19.745 15.241 1.00 2.25 H new ATOM 0 HD12 LEU A 69 20.518 19.065 13.597 1.00 2.25 H new ATOM 0 HD13 LEU A 69 20.122 18.022 14.984 1.00 2.25 H new ATOM 0 HD21 LEU A 69 22.265 19.202 16.856 1.00 74.22 H new ATOM 0 HD22 LEU A 69 21.976 17.456 16.663 1.00 74.22 H new ATOM 0 HD23 LEU A 69 23.603 18.125 16.392 1.00 74.22 H new ATOM 1090 N PRO A 70 23.870 14.785 13.047 1.00 31.23 N ATOM 1091 CA PRO A 70 24.173 13.352 13.104 1.00 21.15 C ATOM 1092 C PRO A 70 25.563 13.030 12.565 1.00 63.20 C ATOM 1093 O PRO A 70 25.884 13.346 11.419 1.00 2.12 O ATOM 1094 CB PRO A 70 23.096 12.726 12.213 1.00 55.32 C ATOM 1095 CG PRO A 70 22.707 13.811 11.270 1.00 51.42 C ATOM 1096 CD PRO A 70 22.842 15.096 12.039 1.00 54.41 C ATOM 0 HA PRO A 70 24.172 12.976 14.127 1.00 21.15 H new ATOM 0 HB2 PRO A 70 23.480 11.857 11.679 1.00 55.32 H new ATOM 0 HB3 PRO A 70 22.243 12.388 12.801 1.00 55.32 H new ATOM 0 HG2 PRO A 70 23.351 13.813 10.390 1.00 51.42 H new ATOM 0 HG3 PRO A 70 21.685 13.673 10.917 1.00 51.42 H new ATOM 0 HD2 PRO A 70 23.148 15.920 11.394 1.00 54.41 H new ATOM 0 HD3 PRO A 70 21.900 15.387 12.503 1.00 54.41 H new ATOM 1232 N PRO A 79 18.927 9.214 17.186 1.00 22.53 N ATOM 1233 CA PRO A 79 17.467 9.165 17.315 1.00 2.44 C ATOM 1234 C PRO A 79 16.808 10.491 16.949 1.00 13.30 C ATOM 1235 O PRO A 79 16.909 11.469 17.689 1.00 54.32 O ATOM 1236 CB PRO A 79 17.252 8.851 18.797 1.00 21.51 C ATOM 1237 CG PRO A 79 18.477 9.358 19.474 1.00 14.51 C ATOM 1238 CD PRO A 79 19.602 9.164 18.494 1.00 41.25 C ATOM 0 HA PRO A 79 17.022 8.432 16.642 1.00 2.44 H new ATOM 0 HB2 PRO A 79 16.357 9.341 19.180 1.00 21.51 H new ATOM 0 HB3 PRO A 79 17.124 7.781 18.960 1.00 21.51 H new ATOM 0 HG2 PRO A 79 18.369 10.409 19.741 1.00 14.51 H new ATOM 0 HG3 PRO A 79 18.666 8.812 20.398 1.00 14.51 H new ATOM 0 HD2 PRO A 79 20.356 9.946 18.587 1.00 41.25 H new ATOM 0 HD3 PRO A 79 20.110 8.212 18.648 1.00 41.25 H new ATOM 1246 N TYR A 80 16.134 10.516 15.805 1.00 0.41 N ATOM 1247 CA TYR A 80 15.460 11.723 15.342 1.00 10.14 C ATOM 1248 C TYR A 80 13.958 11.494 15.215 1.00 60.44 C ATOM 1249 O TYR A 80 13.454 10.414 15.523 1.00 53.03 O ATOM 1250 CB TYR A 80 16.034 12.168 13.995 1.00 13.53 C ATOM 1251 CG TYR A 80 15.523 11.362 12.823 1.00 50.32 C ATOM 1252 CD1 TYR A 80 15.894 10.034 12.653 1.00 44.34 C ATOM 1253 CD2 TYR A 80 14.669 11.929 11.885 1.00 64.14 C ATOM 1254 CE1 TYR A 80 15.429 9.294 11.582 1.00 32.24 C ATOM 1255 CE2 TYR A 80 14.198 11.196 10.813 1.00 3.42 C ATOM 1256 CZ TYR A 80 14.581 9.880 10.666 1.00 24.14 C ATOM 1257 OH TYR A 80 14.116 9.147 9.598 1.00 31.10 O ATOM 0 H TYR A 80 16.040 9.714 15.181 1.00 0.41 H new ATOM 0 HA TYR A 80 15.629 12.508 16.079 1.00 10.14 H new ATOM 0 HB2 TYR A 80 15.792 13.219 13.836 1.00 13.53 H new ATOM 0 HB3 TYR A 80 17.121 12.093 14.030 1.00 13.53 H new ATOM 0 HD1 TYR A 80 16.557 9.572 13.370 1.00 44.34 H new ATOM 0 HD2 TYR A 80 14.368 12.960 11.996 1.00 64.14 H new ATOM 0 HE1 TYR A 80 15.728 8.263 11.463 1.00 32.24 H new ATOM 0 HE2 TYR A 80 13.533 11.652 10.094 1.00 3.42 H new ATOM 0 HH TYR A 80 13.554 9.716 9.031 1.00 31.10 H new ATOM 1267 N VAL A 81 13.246 12.519 14.759 1.00 3.30 N ATOM 1268 CA VAL A 81 11.800 12.431 14.589 1.00 60.21 C ATOM 1269 C VAL A 81 11.253 13.668 13.884 1.00 32.53 C ATOM 1270 O VAL A 81 11.620 14.796 14.213 1.00 22.50 O ATOM 1271 CB VAL A 81 11.085 12.267 15.942 1.00 74.13 C ATOM 1272 CG1 VAL A 81 11.322 13.484 16.823 1.00 44.04 C ATOM 1273 CG2 VAL A 81 9.597 12.031 15.734 1.00 1.42 C ATOM 0 H VAL A 81 13.647 13.421 14.500 1.00 3.30 H new ATOM 0 HA VAL A 81 11.607 11.551 13.975 1.00 60.21 H new ATOM 0 HB VAL A 81 11.500 11.396 16.448 1.00 74.13 H new ATOM 0 HG11 VAL A 81 10.809 13.349 17.775 1.00 44.04 H new ATOM 0 HG12 VAL A 81 12.391 13.602 17.001 1.00 44.04 H new ATOM 0 HG13 VAL A 81 10.936 14.374 16.326 1.00 44.04 H new ATOM 0 HG21 VAL A 81 9.108 11.917 16.701 1.00 1.42 H new ATOM 0 HG22 VAL A 81 9.164 12.881 15.206 1.00 1.42 H new ATOM 0 HG23 VAL A 81 9.451 11.125 15.145 1.00 1.42 H new ATOM 1283 N PHE A 82 10.373 13.448 12.913 1.00 31.40 N ATOM 1284 CA PHE A 82 9.775 14.543 12.160 1.00 42.43 C ATOM 1285 C PHE A 82 8.292 14.686 12.492 1.00 1.24 C ATOM 1286 O PHE A 82 7.532 13.720 12.416 1.00 3.24 O ATOM 1287 CB PHE A 82 9.954 14.317 10.658 1.00 21.30 C ATOM 1288 CG PHE A 82 11.344 14.609 10.168 1.00 71.33 C ATOM 1289 CD1 PHE A 82 11.974 15.797 10.502 1.00 21.10 C ATOM 1290 CD2 PHE A 82 12.019 13.696 9.375 1.00 14.31 C ATOM 1291 CE1 PHE A 82 13.252 16.069 10.053 1.00 41.10 C ATOM 1292 CE2 PHE A 82 13.298 13.962 8.924 1.00 24.03 C ATOM 1293 CZ PHE A 82 13.916 15.150 9.264 1.00 24.05 C ATOM 0 H PHE A 82 10.058 12.520 12.629 1.00 31.40 H new ATOM 0 HA PHE A 82 10.283 15.465 12.444 1.00 42.43 H new ATOM 0 HB2 PHE A 82 9.704 13.282 10.422 1.00 21.30 H new ATOM 0 HB3 PHE A 82 9.247 14.947 10.117 1.00 21.30 H new ATOM 0 HD1 PHE A 82 11.460 16.518 11.120 1.00 21.10 H new ATOM 0 HD2 PHE A 82 11.541 12.766 9.106 1.00 14.31 H new ATOM 0 HE1 PHE A 82 13.732 17.000 10.319 1.00 41.10 H new ATOM 0 HE2 PHE A 82 13.814 13.242 8.306 1.00 24.03 H new ATOM 0 HZ PHE A 82 14.916 15.360 8.914 1.00 24.05 H new ATOM 1303 N VAL A 83 7.888 15.897 12.861 1.00 42.31 N ATOM 1304 CA VAL A 83 6.497 16.167 13.203 1.00 61.23 C ATOM 1305 C VAL A 83 5.864 17.137 12.212 1.00 11.43 C ATOM 1306 O VAL A 83 6.517 18.065 11.734 1.00 41.20 O ATOM 1307 CB VAL A 83 6.371 16.747 14.625 1.00 10.21 C ATOM 1308 CG1 VAL A 83 7.017 15.818 15.641 1.00 11.03 C ATOM 1309 CG2 VAL A 83 6.991 18.135 14.689 1.00 13.34 C ATOM 0 H VAL A 83 8.504 16.707 12.931 1.00 42.31 H new ATOM 0 HA VAL A 83 5.970 15.214 13.159 1.00 61.23 H new ATOM 0 HB VAL A 83 5.313 16.834 14.871 1.00 10.21 H new ATOM 0 HG11 VAL A 83 6.918 16.245 16.639 1.00 11.03 H new ATOM 0 HG12 VAL A 83 6.524 14.847 15.611 1.00 11.03 H new ATOM 0 HG13 VAL A 83 8.073 15.696 15.402 1.00 11.03 H new ATOM 0 HG21 VAL A 83 6.894 18.531 15.700 1.00 13.34 H new ATOM 0 HG22 VAL A 83 8.046 18.075 14.423 1.00 13.34 H new ATOM 0 HG23 VAL A 83 6.478 18.795 13.990 1.00 13.34 H new ATOM 1319 N ARG A 84 4.590 16.917 11.908 1.00 25.43 N ATOM 1320 CA ARG A 84 3.869 17.771 10.972 1.00 0.03 C ATOM 1321 C ARG A 84 3.255 18.969 11.692 1.00 21.33 C ATOM 1322 O ARG A 84 2.062 19.240 11.560 1.00 61.31 O ATOM 1323 CB ARG A 84 2.774 16.975 10.260 1.00 34.53 C ATOM 1324 CG ARG A 84 1.764 16.348 11.207 1.00 24.12 C ATOM 1325 CD ARG A 84 0.350 16.443 10.655 1.00 70.13 C ATOM 1326 NE ARG A 84 0.080 15.411 9.658 1.00 2.24 N ATOM 1327 CZ ARG A 84 -1.026 15.370 8.923 1.00 31.42 C ATOM 1328 NH1 ARG A 84 -1.961 16.297 9.074 1.00 4.42 N ATOM 1329 NH2 ARG A 84 -1.198 14.399 8.035 1.00 42.42 N ATOM 0 H ARG A 84 4.035 16.154 12.296 1.00 25.43 H new ATOM 0 HA ARG A 84 4.581 18.138 10.232 1.00 0.03 H new ATOM 0 HB2 ARG A 84 2.250 17.633 9.567 1.00 34.53 H new ATOM 0 HB3 ARG A 84 3.237 16.189 9.664 1.00 34.53 H new ATOM 0 HG2 ARG A 84 2.021 15.302 11.374 1.00 24.12 H new ATOM 0 HG3 ARG A 84 1.812 16.847 12.175 1.00 24.12 H new ATOM 0 HD2 ARG A 84 -0.365 16.353 11.473 1.00 70.13 H new ATOM 0 HD3 ARG A 84 0.201 17.426 10.208 1.00 70.13 H new ATOM 0 HE ARG A 84 0.779 14.681 9.518 1.00 2.24 H new ATOM 0 HH11 ARG A 84 -1.833 17.045 9.756 1.00 4.42 H new ATOM 0 HH12 ARG A 84 -2.809 16.263 8.508 1.00 4.42 H new ATOM 0 HH21 ARG A 84 -0.481 13.683 7.916 1.00 42.42 H new ATOM 0 HH22 ARG A 84 -2.047 14.368 7.471 1.00 42.42 H new ATOM 1343 N SER A 85 4.080 19.682 12.453 1.00 22.42 N ATOM 1344 CA SER A 85 3.617 20.847 13.196 1.00 54.32 C ATOM 1345 C SER A 85 4.782 21.772 13.535 1.00 53.41 C ATOM 1346 O SER A 85 5.925 21.517 13.155 1.00 2.41 O ATOM 1347 CB SER A 85 2.909 20.410 14.480 1.00 45.55 C ATOM 1348 OG SER A 85 3.074 19.022 14.708 1.00 24.13 O ATOM 0 H SER A 85 5.071 19.473 12.571 1.00 22.42 H new ATOM 0 HA SER A 85 2.913 21.392 12.568 1.00 54.32 H new ATOM 0 HB2 SER A 85 3.306 20.970 15.326 1.00 45.55 H new ATOM 0 HB3 SER A 85 1.847 20.646 14.412 1.00 45.55 H new ATOM 0 HG SER A 85 2.613 18.769 15.535 1.00 24.13 H new ATOM 1354 N LYS A 86 4.484 22.849 14.255 1.00 1.33 N ATOM 1355 CA LYS A 86 5.504 23.814 14.647 1.00 14.14 C ATOM 1356 C LYS A 86 5.037 24.648 15.836 1.00 24.45 C ATOM 1357 O LYS A 86 5.759 24.799 16.821 1.00 24.13 O ATOM 1358 CB LYS A 86 5.848 24.731 13.471 1.00 22.24 C ATOM 1359 CG LYS A 86 4.629 25.300 12.767 1.00 62.02 C ATOM 1360 CD LYS A 86 5.012 26.040 11.496 1.00 13.30 C ATOM 1361 CE LYS A 86 3.970 27.082 11.121 1.00 72.23 C ATOM 1362 NZ LYS A 86 3.663 27.061 9.664 1.00 15.32 N ATOM 0 H LYS A 86 3.544 23.075 14.579 1.00 1.33 H new ATOM 0 HA LYS A 86 6.396 23.261 14.942 1.00 14.14 H new ATOM 0 HB2 LYS A 86 6.466 25.553 13.831 1.00 22.24 H new ATOM 0 HB3 LYS A 86 6.447 24.174 12.750 1.00 22.24 H new ATOM 0 HG2 LYS A 86 3.938 24.493 12.524 1.00 62.02 H new ATOM 0 HG3 LYS A 86 4.103 25.978 13.439 1.00 62.02 H new ATOM 0 HD2 LYS A 86 5.979 26.524 11.633 1.00 13.30 H new ATOM 0 HD3 LYS A 86 5.125 25.327 10.679 1.00 13.30 H new ATOM 0 HE2 LYS A 86 3.056 26.902 11.687 1.00 72.23 H new ATOM 0 HE3 LYS A 86 4.329 28.072 11.402 1.00 72.23 H new ATOM 0 HZ1 LYS A 86 2.949 27.786 9.449 1.00 15.32 H new ATOM 0 HZ2 LYS A 86 4.530 27.258 9.124 1.00 15.32 H new ATOM 0 HZ3 LYS A 86 3.296 26.124 9.400 1.00 15.32 H new ATOM 1376 N GLN A 87 3.825 25.185 15.735 1.00 11.11 N ATOM 1377 CA GLN A 87 3.261 26.002 16.803 1.00 33.03 C ATOM 1378 C GLN A 87 3.083 25.184 18.078 1.00 43.21 C ATOM 1379 O GLN A 87 3.411 25.643 19.172 1.00 30.20 O ATOM 1380 CB GLN A 87 1.919 26.591 16.369 1.00 72.11 C ATOM 1381 CG GLN A 87 1.981 27.339 15.046 1.00 34.53 C ATOM 1382 CD GLN A 87 0.712 28.113 14.753 1.00 52.44 C ATOM 1383 OE1 GLN A 87 -0.392 27.574 14.837 1.00 1.33 O ATOM 1384 NE2 GLN A 87 0.862 29.386 14.406 1.00 52.23 N ATOM 0 H GLN A 87 3.216 25.069 14.925 1.00 11.11 H new ATOM 0 HA GLN A 87 3.956 26.816 17.009 1.00 33.03 H new ATOM 0 HB2 GLN A 87 1.188 25.787 16.288 1.00 72.11 H new ATOM 0 HB3 GLN A 87 1.562 27.269 17.144 1.00 72.11 H new ATOM 0 HG2 GLN A 87 2.826 28.027 15.061 1.00 34.53 H new ATOM 0 HG3 GLN A 87 2.163 26.629 14.240 1.00 34.53 H new ATOM 0 HE21 GLN A 87 1.796 29.792 14.349 1.00 52.23 H new ATOM 0 HE22 GLN A 87 0.043 29.957 14.197 1.00 52.23 H new ATOM 1393 N ALA A 88 2.561 23.971 17.929 1.00 1.03 N ATOM 1394 CA ALA A 88 2.341 23.089 19.068 1.00 45.12 C ATOM 1395 C ALA A 88 3.649 22.789 19.791 1.00 42.32 C ATOM 1396 O ALA A 88 3.669 22.606 21.009 1.00 33.30 O ATOM 1397 CB ALA A 88 1.677 21.798 18.615 1.00 34.53 C ATOM 0 H ALA A 88 2.283 23.577 17.030 1.00 1.03 H new ATOM 0 HA ALA A 88 1.679 23.599 19.768 1.00 45.12 H new ATOM 0 HB1 ALA A 88 1.519 21.149 19.476 1.00 34.53 H new ATOM 0 HB2 ALA A 88 0.717 22.026 18.151 1.00 34.53 H new ATOM 0 HB3 ALA A 88 2.318 21.293 17.893 1.00 34.53 H new ATOM 1403 N LEU A 89 4.740 22.740 19.034 1.00 73.42 N ATOM 1404 CA LEU A 89 6.054 22.461 19.605 1.00 24.33 C ATOM 1405 C LEU A 89 6.612 23.690 20.313 1.00 53.21 C ATOM 1406 O LEU A 89 7.338 23.574 21.300 1.00 42.02 O ATOM 1407 CB LEU A 89 7.020 22.006 18.509 1.00 3.33 C ATOM 1408 CG LEU A 89 8.505 22.033 18.870 1.00 52.11 C ATOM 1409 CD1 LEU A 89 8.790 21.086 20.026 1.00 22.34 C ATOM 1410 CD2 LEU A 89 9.356 21.672 17.661 1.00 61.52 C ATOM 0 H LEU A 89 4.741 22.890 18.025 1.00 73.42 H new ATOM 0 HA LEU A 89 5.943 21.662 20.338 1.00 24.33 H new ATOM 0 HB2 LEU A 89 6.756 20.989 18.219 1.00 3.33 H new ATOM 0 HB3 LEU A 89 6.868 22.637 17.633 1.00 3.33 H new ATOM 0 HG LEU A 89 8.764 23.045 19.182 1.00 52.11 H new ATOM 0 HD11 LEU A 89 9.852 21.118 20.269 1.00 22.34 H new ATOM 0 HD12 LEU A 89 8.209 21.389 20.897 1.00 22.34 H new ATOM 0 HD13 LEU A 89 8.514 20.071 19.741 1.00 22.34 H new ATOM 0 HD21 LEU A 89 10.410 21.697 17.938 1.00 61.52 H new ATOM 0 HD22 LEU A 89 9.094 20.671 17.318 1.00 61.52 H new ATOM 0 HD23 LEU A 89 9.174 22.389 16.861 1.00 61.52 H new ATOM 1422 N GLY A 90 6.267 24.869 19.804 1.00 65.12 N ATOM 1423 CA GLY A 90 6.741 26.103 20.402 1.00 3.23 C ATOM 1424 C GLY A 90 5.960 26.482 21.645 1.00 45.41 C ATOM 1425 O GLY A 90 6.545 26.809 22.678 1.00 31.43 O ATOM 0 H GLY A 90 5.667 24.991 18.988 1.00 65.12 H new ATOM 0 HA2 GLY A 90 7.796 25.998 20.657 1.00 3.23 H new ATOM 0 HA3 GLY A 90 6.669 26.909 19.671 1.00 3.23 H new ATOM 1429 N ARG A 91 4.636 26.441 21.545 1.00 5.11 N ATOM 1430 CA ARG A 91 3.774 26.786 22.668 1.00 72.15 C ATOM 1431 C ARG A 91 4.064 25.892 23.871 1.00 42.21 C ATOM 1432 O ARG A 91 3.872 26.295 25.018 1.00 23.12 O ATOM 1433 CB ARG A 91 2.303 26.658 22.269 1.00 45.23 C ATOM 1434 CG ARG A 91 1.875 25.231 21.968 1.00 43.20 C ATOM 1435 CD ARG A 91 0.434 25.172 21.487 1.00 25.31 C ATOM 1436 NE ARG A 91 -0.103 23.815 21.531 1.00 31.11 N ATOM 1437 CZ ARG A 91 -1.331 23.496 21.134 1.00 55.41 C ATOM 1438 NH1 ARG A 91 -2.143 24.432 20.665 1.00 62.13 N ATOM 1439 NH2 ARG A 91 -1.747 22.238 21.207 1.00 1.23 N ATOM 0 H ARG A 91 4.137 26.172 20.697 1.00 5.11 H new ATOM 0 HA ARG A 91 3.980 27.820 22.946 1.00 72.15 H new ATOM 0 HB2 ARG A 91 1.682 27.053 23.073 1.00 45.23 H new ATOM 0 HB3 ARG A 91 2.119 27.277 21.391 1.00 45.23 H new ATOM 0 HG2 ARG A 91 2.531 24.806 21.209 1.00 43.20 H new ATOM 0 HG3 ARG A 91 1.986 24.620 22.864 1.00 43.20 H new ATOM 0 HD2 ARG A 91 -0.181 25.825 22.105 1.00 25.31 H new ATOM 0 HD3 ARG A 91 0.377 25.552 20.467 1.00 25.31 H new ATOM 0 HE ARG A 91 0.497 23.071 21.886 1.00 31.11 H new ATOM 0 HH11 ARG A 91 -1.826 25.400 20.608 1.00 62.13 H new ATOM 0 HH12 ARG A 91 -3.085 24.185 20.361 1.00 62.13 H new ATOM 0 HH21 ARG A 91 -1.124 21.515 21.568 1.00 1.23 H new ATOM 0 HH22 ARG A 91 -2.689 21.994 20.902 1.00 1.23 H new ATOM 1453 N ALA A 92 4.527 24.676 23.600 1.00 3.42 N ATOM 1454 CA ALA A 92 4.846 23.726 24.658 1.00 54.21 C ATOM 1455 C ALA A 92 5.976 24.246 25.541 1.00 22.02 C ATOM 1456 O ALA A 92 5.987 24.018 26.751 1.00 62.23 O ATOM 1457 CB ALA A 92 5.217 22.376 24.062 1.00 40.23 C ATOM 0 H ALA A 92 4.690 24.326 22.656 1.00 3.42 H new ATOM 0 HA ALA A 92 3.960 23.604 25.281 1.00 54.21 H new ATOM 0 HB1 ALA A 92 5.453 21.677 24.864 1.00 40.23 H new ATOM 0 HB2 ALA A 92 4.379 21.992 23.481 1.00 40.23 H new ATOM 0 HB3 ALA A 92 6.086 22.491 23.414 1.00 40.23 H new ATOM 1463 N CYS A 93 6.926 24.943 24.927 1.00 35.15 N ATOM 1464 CA CYS A 93 8.062 25.494 25.658 1.00 33.43 C ATOM 1465 C CYS A 93 7.724 26.863 26.238 1.00 4.12 C ATOM 1466 O CYS A 93 8.215 27.236 27.302 1.00 41.12 O ATOM 1467 CB CYS A 93 9.281 25.601 24.740 1.00 12.23 C ATOM 1468 SG CYS A 93 10.864 25.377 25.585 1.00 62.52 S ATOM 0 H CYS A 93 6.932 25.140 23.926 1.00 35.15 H new ATOM 0 HA CYS A 93 8.295 24.819 26.482 1.00 33.43 H new ATOM 0 HB2 CYS A 93 9.194 24.855 23.950 1.00 12.23 H new ATOM 0 HB3 CYS A 93 9.274 26.578 24.257 1.00 12.23 H new ATOM 0 HG CYS A 93 10.818 25.950 26.751 1.00 62.52 H new ATOM 1474 N GLY A 94 6.883 27.610 25.527 1.00 34.51 N ATOM 1475 CA GLY A 94 6.496 28.930 25.986 1.00 60.03 C ATOM 1476 C GLY A 94 7.289 30.033 25.314 1.00 44.25 C ATOM 1477 O GLY A 94 7.779 30.948 25.976 1.00 63.41 O ATOM 0 H GLY A 94 6.464 27.324 24.642 1.00 34.51 H new ATOM 0 HA2 GLY A 94 5.434 29.081 25.793 1.00 60.03 H new ATOM 0 HA3 GLY A 94 6.636 28.992 27.065 1.00 60.03 H new ATOM 1481 N VAL A 95 7.417 29.948 23.993 1.00 31.43 N ATOM 1482 CA VAL A 95 8.157 30.946 23.231 1.00 64.44 C ATOM 1483 C VAL A 95 7.233 31.718 22.294 1.00 34.34 C ATOM 1484 O VAL A 95 6.094 31.314 22.057 1.00 10.25 O ATOM 1485 CB VAL A 95 9.283 30.299 22.404 1.00 10.22 C ATOM 1486 CG1 VAL A 95 10.435 29.881 23.307 1.00 24.32 C ATOM 1487 CG2 VAL A 95 8.752 29.110 21.618 1.00 11.02 C ATOM 0 H VAL A 95 7.017 29.198 23.429 1.00 31.43 H new ATOM 0 HA VAL A 95 8.596 31.634 23.953 1.00 64.44 H new ATOM 0 HB VAL A 95 9.658 31.036 21.693 1.00 10.22 H new ATOM 0 HG11 VAL A 95 11.222 29.426 22.706 1.00 24.32 H new ATOM 0 HG12 VAL A 95 10.831 30.757 23.820 1.00 24.32 H new ATOM 0 HG13 VAL A 95 10.078 29.161 24.043 1.00 24.32 H new ATOM 0 HG21 VAL A 95 9.562 28.665 21.039 1.00 11.02 H new ATOM 0 HG22 VAL A 95 8.349 28.368 22.308 1.00 11.02 H new ATOM 0 HG23 VAL A 95 7.964 29.443 20.943 1.00 11.02 H new ATOM 1497 N SER A 96 7.731 32.830 21.765 1.00 4.51 N ATOM 1498 CA SER A 96 6.950 33.661 20.856 1.00 0.11 C ATOM 1499 C SER A 96 6.957 33.078 19.446 1.00 2.41 C ATOM 1500 O SER A 96 5.940 33.091 18.753 1.00 24.34 O ATOM 1501 CB SER A 96 7.502 35.087 20.833 1.00 13.32 C ATOM 1502 OG SER A 96 6.965 35.824 19.748 1.00 12.21 O ATOM 0 H SER A 96 8.672 33.177 21.950 1.00 4.51 H new ATOM 0 HA SER A 96 5.922 33.683 21.216 1.00 0.11 H new ATOM 0 HB2 SER A 96 7.263 35.588 21.771 1.00 13.32 H new ATOM 0 HB3 SER A 96 8.589 35.058 20.755 1.00 13.32 H new ATOM 0 HG SER A 96 7.332 36.733 19.756 1.00 12.21 H new ATOM 1508 N ARG A 97 8.111 32.567 19.028 1.00 51.44 N ATOM 1509 CA ARG A 97 8.251 31.981 17.701 1.00 12.31 C ATOM 1510 C ARG A 97 8.424 30.468 17.791 1.00 61.21 C ATOM 1511 O ARG A 97 8.781 29.920 18.834 1.00 1.12 O ATOM 1512 CB ARG A 97 9.446 32.598 16.972 1.00 22.21 C ATOM 1513 CG ARG A 97 9.091 33.828 16.152 1.00 72.45 C ATOM 1514 CD ARG A 97 10.040 34.009 14.978 1.00 31.20 C ATOM 1515 NE ARG A 97 10.306 35.418 14.702 1.00 25.25 N ATOM 1516 CZ ARG A 97 10.915 35.849 13.601 1.00 75.45 C ATOM 1517 NH1 ARG A 97 11.318 34.984 12.682 1.00 23.45 N ATOM 1518 NH2 ARG A 97 11.120 37.147 13.421 1.00 53.20 N ATOM 0 H ARG A 97 8.962 32.547 19.590 1.00 51.44 H new ATOM 0 HA ARG A 97 7.341 32.193 17.139 1.00 12.31 H new ATOM 0 HB2 ARG A 97 10.208 32.867 17.704 1.00 22.21 H new ATOM 0 HB3 ARG A 97 9.886 31.848 16.315 1.00 22.21 H new ATOM 0 HG2 ARG A 97 8.069 33.739 15.784 1.00 72.45 H new ATOM 0 HG3 ARG A 97 9.125 34.713 16.788 1.00 72.45 H new ATOM 0 HD2 ARG A 97 10.979 33.497 15.189 1.00 31.20 H new ATOM 0 HD3 ARG A 97 9.613 33.540 14.091 1.00 31.20 H new ATOM 0 HE ARG A 97 10.009 36.109 15.391 1.00 25.25 H new ATOM 0 HH11 ARG A 97 11.161 33.985 12.818 1.00 23.45 H new ATOM 0 HH12 ARG A 97 11.785 35.317 11.838 1.00 23.45 H new ATOM 0 HH21 ARG A 97 10.811 37.815 14.127 1.00 53.20 H new ATOM 0 HH22 ARG A 97 11.587 37.477 12.577 1.00 53.20 H new ATOM 1532 N PRO A 98 8.162 29.775 16.673 1.00 64.45 N ATOM 1533 CA PRO A 98 8.280 28.316 16.600 1.00 34.41 C ATOM 1534 C PRO A 98 9.729 27.848 16.667 1.00 15.30 C ATOM 1535 O PRO A 98 10.653 28.611 16.385 1.00 1.14 O ATOM 1536 CB PRO A 98 7.672 27.978 15.237 1.00 3.21 C ATOM 1537 CG PRO A 98 7.846 29.216 14.428 1.00 3.42 C ATOM 1538 CD PRO A 98 7.730 30.362 15.393 1.00 53.43 C ATOM 0 HA PRO A 98 7.783 27.825 17.437 1.00 34.41 H new ATOM 0 HB2 PRO A 98 8.179 27.130 14.777 1.00 3.21 H new ATOM 0 HB3 PRO A 98 6.620 27.709 15.328 1.00 3.21 H new ATOM 0 HG2 PRO A 98 8.815 29.223 13.929 1.00 3.42 H new ATOM 0 HG3 PRO A 98 7.086 29.283 13.649 1.00 3.42 H new ATOM 0 HD2 PRO A 98 8.364 31.199 15.101 1.00 53.43 H new ATOM 0 HD3 PRO A 98 6.709 30.739 15.448 1.00 53.43 H new ATOM 1546 N VAL A 99 9.923 26.587 17.045 1.00 1.30 N ATOM 1547 CA VAL A 99 11.261 26.017 17.148 1.00 13.52 C ATOM 1548 C VAL A 99 11.599 25.180 15.920 1.00 65.11 C ATOM 1549 O VAL A 99 10.715 24.588 15.298 1.00 40.11 O ATOM 1550 CB VAL A 99 11.403 25.142 18.407 1.00 34.51 C ATOM 1551 CG1 VAL A 99 12.850 24.714 18.600 1.00 71.32 C ATOM 1552 CG2 VAL A 99 10.889 25.883 19.632 1.00 4.33 C ATOM 0 H VAL A 99 9.170 25.942 17.285 1.00 1.30 H new ATOM 0 HA VAL A 99 11.956 26.854 17.216 1.00 13.52 H new ATOM 0 HB VAL A 99 10.799 24.245 18.274 1.00 34.51 H new ATOM 0 HG11 VAL A 99 12.931 24.096 19.495 1.00 71.32 H new ATOM 0 HG12 VAL A 99 13.179 24.141 17.733 1.00 71.32 H new ATOM 0 HG13 VAL A 99 13.479 25.597 18.711 1.00 71.32 H new ATOM 0 HG21 VAL A 99 10.997 25.249 20.512 1.00 4.33 H new ATOM 0 HG22 VAL A 99 11.464 26.799 19.771 1.00 4.33 H new ATOM 0 HG23 VAL A 99 9.837 26.133 19.492 1.00 4.33 H new ATOM 1562 N ILE A 100 12.881 25.134 15.575 1.00 42.02 N ATOM 1563 CA ILE A 100 13.335 24.368 14.421 1.00 72.54 C ATOM 1564 C ILE A 100 14.214 23.198 14.850 1.00 64.41 C ATOM 1565 O ILE A 100 14.266 22.169 14.178 1.00 24.52 O ATOM 1566 CB ILE A 100 14.120 25.250 13.433 1.00 65.33 C ATOM 1567 CG1 ILE A 100 15.208 26.034 14.169 1.00 31.12 C ATOM 1568 CG2 ILE A 100 13.178 26.196 12.704 1.00 5.21 C ATOM 1569 CD1 ILE A 100 16.576 25.908 13.537 1.00 2.04 C ATOM 0 H ILE A 100 13.624 25.618 16.078 1.00 42.02 H new ATOM 0 HA ILE A 100 12.443 23.987 13.924 1.00 72.54 H new ATOM 0 HB ILE A 100 14.599 24.606 12.695 1.00 65.33 H new ATOM 0 HG12 ILE A 100 14.927 27.087 14.201 1.00 31.12 H new ATOM 0 HG13 ILE A 100 15.260 25.686 15.201 1.00 31.12 H new ATOM 0 HG21 ILE A 100 13.748 26.813 12.009 1.00 5.21 H new ATOM 0 HG22 ILE A 100 12.437 25.618 12.152 1.00 5.21 H new ATOM 0 HG23 ILE A 100 12.673 26.836 13.428 1.00 5.21 H new ATOM 0 HD11 ILE A 100 17.297 26.489 14.111 1.00 2.04 H new ATOM 0 HD12 ILE A 100 16.878 24.861 13.529 1.00 2.04 H new ATOM 0 HD13 ILE A 100 16.540 26.283 12.514 1.00 2.04 H new ATOM 1581 N ALA A 101 14.901 23.363 15.975 1.00 30.23 N ATOM 1582 CA ALA A 101 15.775 22.318 16.496 1.00 62.11 C ATOM 1583 C ALA A 101 15.690 22.240 18.017 1.00 22.33 C ATOM 1584 O ALA A 101 16.011 23.202 18.715 1.00 72.32 O ATOM 1585 CB ALA A 101 17.211 22.565 16.057 1.00 72.30 C ATOM 0 H ALA A 101 14.870 24.209 16.543 1.00 30.23 H new ATOM 0 HA ALA A 101 15.442 21.363 16.090 1.00 62.11 H new ATOM 0 HB1 ALA A 101 17.853 21.778 16.453 1.00 72.30 H new ATOM 0 HB2 ALA A 101 17.264 22.564 14.968 1.00 72.30 H new ATOM 0 HB3 ALA A 101 17.546 23.531 16.435 1.00 72.30 H new ATOM 1591 N CYS A 102 15.256 21.091 18.521 1.00 60.22 N ATOM 1592 CA CYS A 102 15.127 20.888 19.960 1.00 55.32 C ATOM 1593 C CYS A 102 15.436 19.442 20.335 1.00 33.45 C ATOM 1594 O CYS A 102 15.188 18.522 19.555 1.00 73.23 O ATOM 1595 CB CYS A 102 13.718 21.258 20.425 1.00 1.55 C ATOM 1596 SG CYS A 102 12.437 20.096 19.895 1.00 41.41 S ATOM 0 H CYS A 102 14.987 20.286 17.955 1.00 60.22 H new ATOM 0 HA CYS A 102 15.848 21.536 20.459 1.00 55.32 H new ATOM 0 HB2 CYS A 102 13.710 21.319 21.513 1.00 1.55 H new ATOM 0 HB3 CYS A 102 13.472 22.251 20.048 1.00 1.55 H new ATOM 0 HG CYS A 102 12.839 19.462 18.834 1.00 41.41 H new ATOM 1602 N SER A 103 15.980 19.250 21.532 1.00 14.15 N ATOM 1603 CA SER A 103 16.328 17.917 22.009 1.00 21.45 C ATOM 1604 C SER A 103 16.027 17.775 23.497 1.00 10.01 C ATOM 1605 O SER A 103 15.837 18.767 24.201 1.00 1.03 O ATOM 1606 CB SER A 103 17.808 17.628 21.746 1.00 52.25 C ATOM 1607 OG SER A 103 18.611 18.748 22.074 1.00 72.22 O ATOM 0 H SER A 103 16.189 20.001 22.190 1.00 14.15 H new ATOM 0 HA SER A 103 15.721 17.194 21.464 1.00 21.45 H new ATOM 0 HB2 SER A 103 18.124 16.766 22.333 1.00 52.25 H new ATOM 0 HB3 SER A 103 17.951 17.369 20.697 1.00 52.25 H new ATOM 0 HG SER A 103 19.552 18.538 21.899 1.00 72.22 H new ATOM 1613 N VAL A 104 15.984 16.534 23.972 1.00 25.13 N ATOM 1614 CA VAL A 104 15.707 16.261 25.377 1.00 24.51 C ATOM 1615 C VAL A 104 16.874 15.533 26.035 1.00 44.15 C ATOM 1616 O VAL A 104 17.292 14.469 25.581 1.00 34.11 O ATOM 1617 CB VAL A 104 14.429 15.416 25.543 1.00 3.13 C ATOM 1618 CG1 VAL A 104 14.120 15.199 27.016 1.00 13.24 C ATOM 1619 CG2 VAL A 104 13.257 16.079 24.836 1.00 61.35 C ATOM 0 H VAL A 104 16.138 15.701 23.403 1.00 25.13 H new ATOM 0 HA VAL A 104 15.562 17.225 25.865 1.00 24.51 H new ATOM 0 HB VAL A 104 14.596 14.441 25.084 1.00 3.13 H new ATOM 0 HG11 VAL A 104 13.214 14.600 27.113 1.00 13.24 H new ATOM 0 HG12 VAL A 104 14.952 14.678 27.489 1.00 13.24 H new ATOM 0 HG13 VAL A 104 13.972 16.163 27.503 1.00 13.24 H new ATOM 0 HG21 VAL A 104 12.363 15.469 24.963 1.00 61.35 H new ATOM 0 HG22 VAL A 104 13.086 17.067 25.263 1.00 61.35 H new ATOM 0 HG23 VAL A 104 13.481 16.177 23.774 1.00 61.35 H new ATOM 1629 N THR A 105 17.395 16.116 27.111 1.00 63.14 N ATOM 1630 CA THR A 105 18.514 15.524 27.833 1.00 62.44 C ATOM 1631 C THR A 105 18.033 14.469 28.823 1.00 42.13 C ATOM 1632 O THR A 105 17.246 14.763 29.724 1.00 70.23 O ATOM 1633 CB THR A 105 19.320 16.595 28.593 1.00 34.23 C ATOM 1634 OG1 THR A 105 18.583 17.045 29.734 1.00 14.31 O ATOM 1635 CG2 THR A 105 19.638 17.775 27.689 1.00 3.54 C ATOM 0 H THR A 105 17.060 16.997 27.501 1.00 63.14 H new ATOM 0 HA THR A 105 19.158 15.054 27.090 1.00 62.44 H new ATOM 0 HB THR A 105 20.258 16.147 28.922 1.00 34.23 H new ATOM 0 HG1 THR A 105 19.034 16.749 30.552 1.00 14.31 H new ATOM 0 HG21 THR A 105 20.207 18.518 28.247 1.00 3.54 H new ATOM 0 HG22 THR A 105 20.226 17.433 26.837 1.00 3.54 H new ATOM 0 HG23 THR A 105 18.709 18.222 27.333 1.00 3.54 H new ATOM 1643 N ILE A 106 18.511 13.242 28.651 1.00 22.14 N ATOM 1644 CA ILE A 106 18.131 12.144 29.531 1.00 64.31 C ATOM 1645 C ILE A 106 18.857 12.235 30.870 1.00 4.03 C ATOM 1646 O ILE A 106 20.074 12.415 30.918 1.00 5.04 O ATOM 1647 CB ILE A 106 18.432 10.777 28.889 1.00 12.31 C ATOM 1648 CG1 ILE A 106 17.925 9.644 29.784 1.00 41.43 C ATOM 1649 CG2 ILE A 106 19.924 10.629 28.632 1.00 14.20 C ATOM 1650 CD1 ILE A 106 17.725 8.337 29.051 1.00 60.13 C ATOM 0 H ILE A 106 19.162 12.983 27.910 1.00 22.14 H new ATOM 0 HA ILE A 106 17.057 12.230 29.696 1.00 64.31 H new ATOM 0 HB ILE A 106 17.911 10.720 27.933 1.00 12.31 H new ATOM 0 HG12 ILE A 106 18.634 9.490 30.597 1.00 41.43 H new ATOM 0 HG13 ILE A 106 16.980 9.945 30.237 1.00 41.43 H new ATOM 0 HG21 ILE A 106 20.120 9.658 28.178 1.00 14.20 H new ATOM 0 HG22 ILE A 106 20.257 11.418 27.958 1.00 14.20 H new ATOM 0 HG23 ILE A 106 20.465 10.705 29.575 1.00 14.20 H new ATOM 0 HD11 ILE A 106 17.365 7.580 29.748 1.00 60.13 H new ATOM 0 HD12 ILE A 106 16.993 8.475 28.255 1.00 60.13 H new ATOM 0 HD13 ILE A 106 18.672 8.012 28.621 1.00 60.13 H new ATOM 1662 N LYS A 107 18.102 12.108 31.955 1.00 52.42 N ATOM 1663 CA LYS A 107 18.672 12.172 33.296 1.00 1.33 C ATOM 1664 C LYS A 107 18.417 10.876 34.059 1.00 3.54 C ATOM 1665 O LYS A 107 17.282 10.576 34.424 1.00 73.42 O ATOM 1666 CB LYS A 107 18.083 13.355 34.067 1.00 4.24 C ATOM 1667 CG LYS A 107 18.886 13.741 35.298 1.00 22.24 C ATOM 1668 CD LYS A 107 18.657 15.193 35.680 1.00 40.34 C ATOM 1669 CE LYS A 107 19.895 15.802 36.320 1.00 74.31 C ATOM 1670 NZ LYS A 107 19.583 17.070 37.036 1.00 30.41 N ATOM 0 H LYS A 107 17.093 11.960 31.933 1.00 52.42 H new ATOM 0 HA LYS A 107 19.749 12.309 33.199 1.00 1.33 H new ATOM 0 HB2 LYS A 107 18.019 14.216 33.401 1.00 4.24 H new ATOM 0 HB3 LYS A 107 17.065 13.110 34.370 1.00 4.24 H new ATOM 0 HG2 LYS A 107 18.608 13.096 36.132 1.00 22.24 H new ATOM 0 HG3 LYS A 107 19.947 13.577 35.108 1.00 22.24 H new ATOM 0 HD2 LYS A 107 18.386 15.765 34.793 1.00 40.34 H new ATOM 0 HD3 LYS A 107 17.818 15.260 36.372 1.00 40.34 H new ATOM 0 HE2 LYS A 107 20.331 15.088 37.019 1.00 74.31 H new ATOM 0 HE3 LYS A 107 20.644 15.994 35.552 1.00 74.31 H new ATOM 0 HZ1 LYS A 107 20.453 17.453 37.458 1.00 30.41 H new ATOM 0 HZ2 LYS A 107 19.191 17.760 36.364 1.00 30.41 H new ATOM 0 HZ3 LYS A 107 18.887 16.883 37.786 1.00 30.41 H new ATOM 1684 N GLU A 108 19.481 10.115 34.296 1.00 42.54 N ATOM 1685 CA GLU A 108 19.370 8.853 35.017 1.00 21.52 C ATOM 1686 C GLU A 108 19.045 9.093 36.489 1.00 24.04 C ATOM 1687 O GLU A 108 19.546 10.035 37.101 1.00 20.31 O ATOM 1688 CB GLU A 108 20.670 8.054 34.894 1.00 64.54 C ATOM 1689 CG GLU A 108 20.570 6.872 33.945 1.00 41.23 C ATOM 1690 CD GLU A 108 21.264 7.127 32.621 1.00 22.41 C ATOM 1691 OE1 GLU A 108 22.496 6.936 32.551 1.00 31.01 O ATOM 1692 OE2 GLU A 108 20.576 7.518 31.655 1.00 1.12 O ATOM 0 H GLU A 108 20.428 10.350 34.000 1.00 42.54 H new ATOM 0 HA GLU A 108 18.556 8.281 34.572 1.00 21.52 H new ATOM 0 HB2 GLU A 108 21.464 8.718 34.552 1.00 64.54 H new ATOM 0 HB3 GLU A 108 20.960 7.693 35.881 1.00 64.54 H new ATOM 0 HG2 GLU A 108 21.009 5.993 34.418 1.00 41.23 H new ATOM 0 HG3 GLU A 108 19.520 6.645 33.763 1.00 41.23 H new ATOM 1699 N GLY A 109 18.201 8.233 37.050 1.00 30.42 N ATOM 1700 CA GLY A 109 17.822 8.367 38.444 1.00 51.42 C ATOM 1701 C GLY A 109 16.447 8.982 38.614 1.00 73.01 C ATOM 1702 O GLY A 109 15.801 8.799 39.647 1.00 23.42 O ATOM 0 H GLY A 109 17.773 7.445 36.564 1.00 30.42 H new ATOM 0 HA2 GLY A 109 17.839 7.386 38.918 1.00 51.42 H new ATOM 0 HA3 GLY A 109 18.559 8.983 38.960 1.00 51.42 H new ATOM 1706 N SER A 110 15.998 9.715 37.601 1.00 0.00 N ATOM 1707 CA SER A 110 14.693 10.363 37.645 1.00 62.33 C ATOM 1708 C SER A 110 13.615 9.453 37.063 1.00 42.54 C ATOM 1709 O SER A 110 13.845 8.751 36.079 1.00 42.35 O ATOM 1710 CB SER A 110 14.730 11.686 36.876 1.00 32.53 C ATOM 1711 OG SER A 110 14.922 11.463 35.489 1.00 53.22 O ATOM 0 H SER A 110 16.519 9.875 36.739 1.00 0.00 H new ATOM 0 HA SER A 110 14.450 10.565 38.688 1.00 62.33 H new ATOM 0 HB2 SER A 110 13.798 12.229 37.035 1.00 32.53 H new ATOM 0 HB3 SER A 110 15.534 12.313 37.262 1.00 32.53 H new ATOM 0 HG SER A 110 15.837 11.150 35.332 1.00 53.22 H new ATOM 1717 N GLN A 111 12.437 9.474 37.679 1.00 55.02 N ATOM 1718 CA GLN A 111 11.323 8.651 37.224 1.00 23.22 C ATOM 1719 C GLN A 111 10.987 8.947 35.766 1.00 42.11 C ATOM 1720 O GLN A 111 10.523 8.072 35.034 1.00 12.32 O ATOM 1721 CB GLN A 111 10.093 8.888 38.102 1.00 52.33 C ATOM 1722 CG GLN A 111 8.834 8.218 37.579 1.00 63.34 C ATOM 1723 CD GLN A 111 7.749 8.109 38.633 1.00 14.22 C ATOM 1724 OE1 GLN A 111 7.444 9.078 39.328 1.00 65.23 O ATOM 1725 NE2 GLN A 111 7.162 6.925 38.757 1.00 74.45 N ATOM 0 H GLN A 111 12.230 10.052 38.494 1.00 55.02 H new ATOM 0 HA GLN A 111 11.621 7.606 37.304 1.00 23.22 H new ATOM 0 HB2 GLN A 111 10.299 8.521 39.108 1.00 52.33 H new ATOM 0 HB3 GLN A 111 9.917 9.961 38.184 1.00 52.33 H new ATOM 0 HG2 GLN A 111 8.453 8.783 36.728 1.00 63.34 H new ATOM 0 HG3 GLN A 111 9.082 7.221 37.214 1.00 63.34 H new ATOM 0 HE21 GLN A 111 7.447 6.149 38.159 1.00 74.45 H new ATOM 0 HE22 GLN A 111 6.426 6.791 39.450 1.00 74.45 H new ATOM 1734 N LEU A 112 11.223 10.187 35.350 1.00 72.14 N ATOM 1735 CA LEU A 112 10.945 10.601 33.979 1.00 75.22 C ATOM 1736 C LEU A 112 11.735 9.756 32.985 1.00 33.42 C ATOM 1737 O LEU A 112 11.323 9.578 31.839 1.00 41.43 O ATOM 1738 CB LEU A 112 11.286 12.081 33.793 1.00 35.44 C ATOM 1739 CG LEU A 112 10.146 13.068 34.037 1.00 74.21 C ATOM 1740 CD1 LEU A 112 10.238 13.654 35.438 1.00 61.33 C ATOM 1741 CD2 LEU A 112 10.166 14.174 32.993 1.00 64.11 C ATOM 0 H LEU A 112 11.606 10.923 35.943 1.00 72.14 H new ATOM 0 HA LEU A 112 9.882 10.453 33.789 1.00 75.22 H new ATOM 0 HB2 LEU A 112 12.107 12.331 34.465 1.00 35.44 H new ATOM 0 HB3 LEU A 112 11.652 12.224 32.776 1.00 35.44 H new ATOM 0 HG LEU A 112 9.201 12.531 33.951 1.00 74.21 H new ATOM 0 HD11 LEU A 112 9.418 14.355 35.594 1.00 61.33 H new ATOM 0 HD12 LEU A 112 10.174 12.852 36.173 1.00 61.33 H new ATOM 0 HD13 LEU A 112 11.188 14.176 35.552 1.00 61.33 H new ATOM 0 HD21 LEU A 112 9.347 14.868 33.182 1.00 64.11 H new ATOM 0 HD22 LEU A 112 11.114 14.709 33.047 1.00 64.11 H new ATOM 0 HD23 LEU A 112 10.051 13.739 32.000 1.00 64.11 H new ATOM 1753 N LYS A 113 12.872 9.232 33.433 1.00 44.02 N ATOM 1754 CA LYS A 113 13.719 8.402 32.584 1.00 62.34 C ATOM 1755 C LYS A 113 12.912 7.276 31.947 1.00 11.13 C ATOM 1756 O LYS A 113 13.221 6.828 30.843 1.00 50.14 O ATOM 1757 CB LYS A 113 14.875 7.819 33.399 1.00 32.12 C ATOM 1758 CG LYS A 113 16.093 7.468 32.562 1.00 21.21 C ATOM 1759 CD LYS A 113 16.445 5.995 32.680 1.00 32.54 C ATOM 1760 CE LYS A 113 17.765 5.680 31.993 1.00 32.11 C ATOM 1761 NZ LYS A 113 17.602 4.668 30.913 1.00 13.02 N ATOM 0 H LYS A 113 13.228 9.368 34.379 1.00 44.02 H new ATOM 0 HA LYS A 113 14.123 9.029 31.789 1.00 62.34 H new ATOM 0 HB2 LYS A 113 15.166 8.537 34.166 1.00 32.12 H new ATOM 0 HB3 LYS A 113 14.529 6.924 33.915 1.00 32.12 H new ATOM 0 HG2 LYS A 113 15.901 7.715 31.518 1.00 21.21 H new ATOM 0 HG3 LYS A 113 16.942 8.073 32.882 1.00 21.21 H new ATOM 0 HD2 LYS A 113 16.506 5.718 33.732 1.00 32.54 H new ATOM 0 HD3 LYS A 113 15.651 5.394 32.238 1.00 32.54 H new ATOM 0 HE2 LYS A 113 18.183 6.595 31.573 1.00 32.11 H new ATOM 0 HE3 LYS A 113 18.479 5.312 32.730 1.00 32.11 H new ATOM 0 HZ1 LYS A 113 18.524 4.481 30.470 1.00 13.02 H new ATOM 0 HZ2 LYS A 113 17.227 3.786 31.317 1.00 13.02 H new ATOM 0 HZ3 LYS A 113 16.940 5.029 30.196 1.00 13.02 H new ATOM 1775 N GLN A 114 11.878 6.824 32.649 1.00 34.31 N ATOM 1776 CA GLN A 114 11.028 5.749 32.151 1.00 4.12 C ATOM 1777 C GLN A 114 10.123 6.248 31.029 1.00 22.21 C ATOM 1778 O GLN A 114 9.960 5.580 30.007 1.00 50.51 O ATOM 1779 CB GLN A 114 10.181 5.171 33.286 1.00 44.54 C ATOM 1780 CG GLN A 114 9.591 3.806 32.970 1.00 54.40 C ATOM 1781 CD GLN A 114 10.131 2.714 33.874 1.00 4.41 C ATOM 1782 OE1 GLN A 114 9.424 2.206 34.744 1.00 45.22 O ATOM 1783 NE2 GLN A 114 11.391 2.348 33.670 1.00 32.20 N ATOM 0 H GLN A 114 11.609 7.185 33.564 1.00 34.31 H new ATOM 0 HA GLN A 114 11.672 4.965 31.753 1.00 4.12 H new ATOM 0 HB2 GLN A 114 10.795 5.093 34.183 1.00 44.54 H new ATOM 0 HB3 GLN A 114 9.371 5.864 33.513 1.00 44.54 H new ATOM 0 HG2 GLN A 114 8.506 3.851 33.069 1.00 54.40 H new ATOM 0 HG3 GLN A 114 9.806 3.553 31.932 1.00 54.40 H new ATOM 0 HE21 GLN A 114 11.940 2.797 32.937 1.00 32.20 H new ATOM 0 HE22 GLN A 114 11.810 1.618 34.246 1.00 32.20 H new ATOM 1792 N GLN A 115 9.537 7.424 31.226 1.00 42.53 N ATOM 1793 CA GLN A 115 8.648 8.011 30.231 1.00 65.41 C ATOM 1794 C GLN A 115 9.375 8.221 28.907 1.00 11.22 C ATOM 1795 O GLN A 115 8.942 7.729 27.865 1.00 52.34 O ATOM 1796 CB GLN A 115 8.090 9.343 30.737 1.00 62.11 C ATOM 1797 CG GLN A 115 6.572 9.373 30.824 1.00 51.41 C ATOM 1798 CD GLN A 115 5.915 9.626 29.481 1.00 14.21 C ATOM 1799 OE1 GLN A 115 6.522 10.206 28.579 1.00 75.22 O ATOM 1800 NE2 GLN A 115 4.669 9.191 29.340 1.00 54.40 N ATOM 0 H GLN A 115 9.662 7.989 32.066 1.00 42.53 H new ATOM 0 HA GLN A 115 7.823 7.319 30.065 1.00 65.41 H new ATOM 0 HB2 GLN A 115 8.506 9.551 31.723 1.00 62.11 H new ATOM 0 HB3 GLN A 115 8.424 10.142 30.075 1.00 62.11 H new ATOM 0 HG2 GLN A 115 6.216 8.424 31.225 1.00 51.41 H new ATOM 0 HG3 GLN A 115 6.267 10.150 31.525 1.00 51.41 H new ATOM 0 HE21 GLN A 115 4.204 8.715 30.113 1.00 54.40 H new ATOM 0 HE22 GLN A 115 4.176 9.332 28.458 1.00 54.40 H new ATOM 1809 N ILE A 116 10.482 8.954 28.955 1.00 52.43 N ATOM 1810 CA ILE A 116 11.270 9.228 27.760 1.00 43.45 C ATOM 1811 C ILE A 116 11.632 7.938 27.034 1.00 5.13 C ATOM 1812 O ILE A 116 11.705 7.907 25.805 1.00 20.51 O ATOM 1813 CB ILE A 116 12.562 9.993 28.101 1.00 4.22 C ATOM 1814 CG1 ILE A 116 12.231 11.309 28.808 1.00 20.21 C ATOM 1815 CG2 ILE A 116 13.372 10.253 26.839 1.00 43.13 C ATOM 1816 CD1 ILE A 116 13.425 11.953 29.478 1.00 30.34 C ATOM 0 H ILE A 116 10.854 9.369 29.809 1.00 52.43 H new ATOM 0 HA ILE A 116 10.653 9.847 27.109 1.00 43.45 H new ATOM 0 HB ILE A 116 13.161 9.381 28.775 1.00 4.22 H new ATOM 0 HG12 ILE A 116 11.812 12.006 28.082 1.00 20.21 H new ATOM 0 HG13 ILE A 116 11.460 11.126 29.556 1.00 20.21 H new ATOM 0 HG21 ILE A 116 14.282 10.795 27.096 1.00 43.13 H new ATOM 0 HG22 ILE A 116 13.634 9.303 26.373 1.00 43.13 H new ATOM 0 HG23 ILE A 116 12.780 10.848 26.143 1.00 43.13 H new ATOM 0 HD11 ILE A 116 13.116 12.881 29.959 1.00 30.34 H new ATOM 0 HD12 ILE A 116 13.832 11.274 30.228 1.00 30.34 H new ATOM 0 HD13 ILE A 116 14.189 12.168 28.731 1.00 30.34 H new ATOM 1828 N GLN A 117 11.856 6.876 27.800 1.00 50.10 N ATOM 1829 CA GLN A 117 12.210 5.582 27.229 1.00 2.23 C ATOM 1830 C GLN A 117 11.002 4.934 26.561 1.00 52.11 C ATOM 1831 O GLN A 117 11.104 4.398 25.458 1.00 12.04 O ATOM 1832 CB GLN A 117 12.768 4.657 28.312 1.00 43.12 C ATOM 1833 CG GLN A 117 14.286 4.627 28.363 1.00 54.35 C ATOM 1834 CD GLN A 117 14.838 3.219 28.485 1.00 43.23 C ATOM 1835 OE1 GLN A 117 15.751 2.834 27.754 1.00 74.41 O ATOM 1836 NE2 GLN A 117 14.285 2.445 29.410 1.00 20.23 N ATOM 0 H GLN A 117 11.799 6.886 28.818 1.00 50.10 H new ATOM 0 HA GLN A 117 12.977 5.745 26.472 1.00 2.23 H new ATOM 0 HB2 GLN A 117 12.386 4.975 29.282 1.00 43.12 H new ATOM 0 HB3 GLN A 117 12.398 3.646 28.140 1.00 43.12 H new ATOM 0 HG2 GLN A 117 14.685 5.093 27.462 1.00 54.35 H new ATOM 0 HG3 GLN A 117 14.629 5.222 29.209 1.00 54.35 H new ATOM 0 HE21 GLN A 117 13.530 2.807 29.993 1.00 20.23 H new ATOM 0 HE22 GLN A 117 14.614 1.488 29.538 1.00 20.23 H new ATOM 1845 N SER A 118 9.860 4.985 27.238 1.00 4.12 N ATOM 1846 CA SER A 118 8.633 4.399 26.712 1.00 43.13 C ATOM 1847 C SER A 118 8.328 4.936 25.317 1.00 65.14 C ATOM 1848 O SER A 118 8.078 4.170 24.386 1.00 44.44 O ATOM 1849 CB SER A 118 7.460 4.690 27.650 1.00 72.02 C ATOM 1850 OG SER A 118 7.136 3.552 28.430 1.00 64.10 O ATOM 0 H SER A 118 9.759 5.426 28.152 1.00 4.12 H new ATOM 0 HA SER A 118 8.776 3.321 26.644 1.00 43.13 H new ATOM 0 HB2 SER A 118 7.712 5.524 28.305 1.00 72.02 H new ATOM 0 HB3 SER A 118 6.591 4.994 27.067 1.00 72.02 H new ATOM 0 HG SER A 118 6.385 3.764 29.022 1.00 64.10 H new ATOM 1856 N ILE A 119 8.350 6.258 25.181 1.00 23.31 N ATOM 1857 CA ILE A 119 8.077 6.898 23.901 1.00 63.11 C ATOM 1858 C ILE A 119 9.163 6.573 22.881 1.00 4.22 C ATOM 1859 O ILE A 119 8.902 6.518 21.679 1.00 53.22 O ATOM 1860 CB ILE A 119 7.969 8.427 24.048 1.00 42.13 C ATOM 1861 CG1 ILE A 119 7.711 9.076 22.686 1.00 71.12 C ATOM 1862 CG2 ILE A 119 9.233 8.991 24.678 1.00 34.41 C ATOM 1863 CD1 ILE A 119 6.648 10.151 22.719 1.00 53.43 C ATOM 0 H ILE A 119 8.554 6.906 25.942 1.00 23.31 H new ATOM 0 HA ILE A 119 7.122 6.506 23.550 1.00 63.11 H new ATOM 0 HB ILE A 119 7.128 8.654 24.703 1.00 42.13 H new ATOM 0 HG12 ILE A 119 8.641 9.508 22.317 1.00 71.12 H new ATOM 0 HG13 ILE A 119 7.414 8.304 21.976 1.00 71.12 H new ATOM 0 HG21 ILE A 119 9.140 10.073 24.775 1.00 34.41 H new ATOM 0 HG22 ILE A 119 9.376 8.550 25.664 1.00 34.41 H new ATOM 0 HG23 ILE A 119 10.090 8.756 24.047 1.00 34.41 H new ATOM 0 HD11 ILE A 119 6.519 10.566 21.719 1.00 53.43 H new ATOM 0 HD12 ILE A 119 5.706 9.721 23.058 1.00 53.43 H new ATOM 0 HD13 ILE A 119 6.952 10.943 23.404 1.00 53.43 H new ATOM 1875 N GLN A 120 10.380 6.357 23.369 1.00 75.35 N ATOM 1876 CA GLN A 120 11.506 6.036 22.500 1.00 52.33 C ATOM 1877 C GLN A 120 11.168 4.865 21.582 1.00 3.23 C ATOM 1878 O GLN A 120 11.501 4.878 20.398 1.00 12.33 O ATOM 1879 CB GLN A 120 12.744 5.704 23.334 1.00 51.24 C ATOM 1880 CG GLN A 120 14.038 5.725 22.538 1.00 11.23 C ATOM 1881 CD GLN A 120 15.226 6.174 23.366 1.00 74.22 C ATOM 1882 OE1 GLN A 120 15.849 5.374 24.064 1.00 11.40 O ATOM 1883 NE2 GLN A 120 15.546 7.461 23.293 1.00 45.10 N ATOM 0 H GLN A 120 10.612 6.398 24.361 1.00 75.35 H new ATOM 0 HA GLN A 120 11.716 6.910 21.883 1.00 52.33 H new ATOM 0 HB2 GLN A 120 12.821 6.417 24.155 1.00 51.24 H new ATOM 0 HB3 GLN A 120 12.618 4.717 23.780 1.00 51.24 H new ATOM 0 HG2 GLN A 120 14.232 4.728 22.142 1.00 11.23 H new ATOM 0 HG3 GLN A 120 13.923 6.391 21.683 1.00 11.23 H new ATOM 0 HE21 GLN A 120 15.002 8.089 22.701 1.00 45.10 H new ATOM 0 HE22 GLN A 120 16.336 7.821 23.829 1.00 45.10 H new ATOM 1892 N GLN A 121 10.505 3.857 22.138 1.00 33.44 N ATOM 1893 CA GLN A 121 10.124 2.678 21.368 1.00 32.22 C ATOM 1894 C GLN A 121 9.310 3.070 20.139 1.00 34.13 C ATOM 1895 O GLN A 121 9.418 2.442 19.086 1.00 22.24 O ATOM 1896 CB GLN A 121 9.319 1.713 22.240 1.00 35.50 C ATOM 1897 CG GLN A 121 9.946 0.332 22.358 1.00 22.24 C ATOM 1898 CD GLN A 121 9.569 -0.372 23.646 1.00 14.22 C ATOM 1899 OE1 GLN A 121 8.817 -1.346 23.639 1.00 2.02 O ATOM 1900 NE2 GLN A 121 10.094 0.119 24.764 1.00 21.42 N ATOM 0 H GLN A 121 10.221 3.832 23.117 1.00 33.44 H new ATOM 0 HA GLN A 121 11.036 2.182 21.034 1.00 32.22 H new ATOM 0 HB2 GLN A 121 9.212 2.141 23.237 1.00 35.50 H new ATOM 0 HB3 GLN A 121 8.316 1.613 21.826 1.00 35.50 H new ATOM 0 HG2 GLN A 121 9.634 -0.278 21.510 1.00 22.24 H new ATOM 0 HG3 GLN A 121 11.031 0.424 22.303 1.00 22.24 H new ATOM 0 HE21 GLN A 121 10.713 0.929 24.724 1.00 21.42 H new ATOM 0 HE22 GLN A 121 9.878 -0.314 25.662 1.00 21.42 H new ATOM 1909 N SER A 122 8.497 4.111 20.282 1.00 10.34 N ATOM 1910 CA SER A 122 7.662 4.585 19.183 1.00 32.51 C ATOM 1911 C SER A 122 8.518 5.004 17.992 1.00 1.52 C ATOM 1912 O SER A 122 8.223 4.657 16.849 1.00 23.21 O ATOM 1913 CB SER A 122 6.796 5.759 19.643 1.00 0.40 C ATOM 1914 OG SER A 122 6.297 5.544 20.951 1.00 72.35 O ATOM 0 H SER A 122 8.398 4.643 21.147 1.00 10.34 H new ATOM 0 HA SER A 122 7.014 3.766 18.871 1.00 32.51 H new ATOM 0 HB2 SER A 122 7.382 6.678 19.621 1.00 0.40 H new ATOM 0 HB3 SER A 122 5.965 5.894 18.951 1.00 0.40 H new ATOM 0 HG SER A 122 6.944 5.878 21.607 1.00 72.35 H new ATOM 1920 N ILE A 123 9.579 5.754 18.269 1.00 11.22 N ATOM 1921 CA ILE A 123 10.479 6.221 17.222 1.00 4.24 C ATOM 1922 C ILE A 123 11.314 5.074 16.663 1.00 43.20 C ATOM 1923 O ILE A 123 11.512 4.971 15.453 1.00 34.32 O ATOM 1924 CB ILE A 123 11.423 7.323 17.739 1.00 65.34 C ATOM 1925 CG1 ILE A 123 10.616 8.464 18.363 1.00 34.43 C ATOM 1926 CG2 ILE A 123 12.299 7.843 16.610 1.00 60.21 C ATOM 1927 CD1 ILE A 123 11.475 9.544 18.980 1.00 55.40 C ATOM 0 H ILE A 123 9.837 6.051 19.210 1.00 11.22 H new ATOM 0 HA ILE A 123 9.853 6.633 16.430 1.00 4.24 H new ATOM 0 HB ILE A 123 12.069 6.897 18.507 1.00 65.34 H new ATOM 0 HG12 ILE A 123 9.980 8.910 17.598 1.00 34.43 H new ATOM 0 HG13 ILE A 123 9.955 8.055 19.128 1.00 34.43 H new ATOM 0 HG21 ILE A 123 12.960 8.621 16.991 1.00 60.21 H new ATOM 0 HG22 ILE A 123 12.896 7.025 16.206 1.00 60.21 H new ATOM 0 HG23 ILE A 123 11.670 8.256 15.822 1.00 60.21 H new ATOM 0 HD11 ILE A 123 10.836 10.320 19.403 1.00 55.40 H new ATOM 0 HD12 ILE A 123 12.092 9.112 19.768 1.00 55.40 H new ATOM 0 HD13 ILE A 123 12.117 9.980 18.215 1.00 55.40 H new ATOM 1939 N GLU A 124 11.800 4.214 17.553 1.00 62.40 N ATOM 1940 CA GLU A 124 12.612 3.073 17.148 1.00 25.51 C ATOM 1941 C GLU A 124 11.818 2.134 16.243 1.00 11.05 C ATOM 1942 O GLU A 124 12.331 1.647 15.235 1.00 34.30 O ATOM 1943 CB GLU A 124 13.113 2.312 18.377 1.00 61.25 C ATOM 1944 CG GLU A 124 14.550 1.834 18.254 1.00 62.12 C ATOM 1945 CD GLU A 124 15.282 1.839 19.581 1.00 63.34 C ATOM 1946 OE1 GLU A 124 14.830 1.135 20.509 1.00 72.23 O ATOM 1947 OE2 GLU A 124 16.305 2.545 19.693 1.00 72.11 O ATOM 0 H GLU A 124 11.645 4.286 18.559 1.00 62.40 H new ATOM 0 HA GLU A 124 13.469 3.450 16.590 1.00 25.51 H new ATOM 0 HB2 GLU A 124 13.027 2.956 19.252 1.00 61.25 H new ATOM 0 HB3 GLU A 124 12.466 1.452 18.549 1.00 61.25 H new ATOM 0 HG2 GLU A 124 14.559 0.825 17.842 1.00 62.12 H new ATOM 0 HG3 GLU A 124 15.082 2.471 17.548 1.00 62.12 H new ATOM 1954 N ARG A 125 10.567 1.886 16.611 1.00 20.41 N ATOM 1955 CA ARG A 125 9.702 1.003 15.835 1.00 0.43 C ATOM 1956 C ARG A 125 9.601 1.478 14.388 1.00 42.01 C ATOM 1957 O ARG A 125 9.725 0.685 13.453 1.00 51.15 O ATOM 1958 CB ARG A 125 8.309 0.940 16.462 1.00 25.11 C ATOM 1959 CG ARG A 125 8.178 -0.111 17.552 1.00 40.34 C ATOM 1960 CD ARG A 125 7.239 -1.232 17.137 1.00 4.33 C ATOM 1961 NE ARG A 125 7.936 -2.288 16.407 1.00 4.22 N ATOM 1962 CZ ARG A 125 8.688 -3.213 16.992 1.00 73.25 C ATOM 1963 NH1 ARG A 125 8.838 -3.213 18.310 1.00 73.24 N ATOM 1964 NH2 ARG A 125 9.290 -4.141 16.261 1.00 32.53 N ATOM 0 H ARG A 125 10.128 2.283 17.442 1.00 20.41 H new ATOM 0 HA ARG A 125 10.141 0.005 15.842 1.00 0.43 H new ATOM 0 HB2 ARG A 125 8.063 1.916 16.879 1.00 25.11 H new ATOM 0 HB3 ARG A 125 7.577 0.734 15.681 1.00 25.11 H new ATOM 0 HG2 ARG A 125 9.161 -0.524 17.780 1.00 40.34 H new ATOM 0 HG3 ARG A 125 7.808 0.355 18.465 1.00 40.34 H new ATOM 0 HD2 ARG A 125 6.766 -1.655 18.023 1.00 4.33 H new ATOM 0 HD3 ARG A 125 6.442 -0.826 16.514 1.00 4.33 H new ATOM 0 HE ARG A 125 7.840 -2.316 15.392 1.00 4.22 H new ATOM 0 HH11 ARG A 125 8.375 -2.502 18.876 1.00 73.24 H new ATOM 0 HH12 ARG A 125 9.416 -3.924 18.758 1.00 73.24 H new ATOM 0 HH21 ARG A 125 9.176 -4.145 15.247 1.00 32.53 H new ATOM 0 HH22 ARG A 125 9.867 -4.851 16.712 1.00 32.53 H new ATOM 1978 N LEU A 126 9.374 2.775 14.211 1.00 33.12 N ATOM 1979 CA LEU A 126 9.255 3.355 12.878 1.00 30.21 C ATOM 1980 C LEU A 126 10.619 3.446 12.200 1.00 41.22 C ATOM 1981 O LEU A 126 10.740 3.228 10.993 1.00 41.25 O ATOM 1982 CB LEU A 126 8.620 4.744 12.959 1.00 73.34 C ATOM 1983 CG LEU A 126 7.154 4.787 13.391 1.00 44.23 C ATOM 1984 CD1 LEU A 126 6.809 6.148 13.976 1.00 60.23 C ATOM 1985 CD2 LEU A 126 6.242 4.463 12.217 1.00 11.22 C ATOM 0 H LEU A 126 9.269 3.444 14.973 1.00 33.12 H new ATOM 0 HA LEU A 126 8.616 2.704 12.282 1.00 30.21 H new ATOM 0 HB2 LEU A 126 9.201 5.347 13.656 1.00 73.34 H new ATOM 0 HB3 LEU A 126 8.704 5.218 11.981 1.00 73.34 H new ATOM 0 HG LEU A 126 7.001 4.033 14.163 1.00 44.23 H new ATOM 0 HD11 LEU A 126 5.762 6.159 14.278 1.00 60.23 H new ATOM 0 HD12 LEU A 126 7.439 6.341 14.844 1.00 60.23 H new ATOM 0 HD13 LEU A 126 6.979 6.920 13.226 1.00 60.23 H new ATOM 0 HD21 LEU A 126 5.203 4.498 12.543 1.00 11.22 H new ATOM 0 HD22 LEU A 126 6.398 5.193 11.423 1.00 11.22 H new ATOM 0 HD23 LEU A 126 6.471 3.465 11.843 1.00 11.22 H new ATOM 1997 N LEU A 127 11.643 3.768 12.983 1.00 62.42 N ATOM 1998 CA LEU A 127 12.999 3.885 12.459 1.00 24.01 C ATOM 1999 C LEU A 127 13.405 2.619 11.710 1.00 43.25 C ATOM 2000 O LEU A 127 13.940 2.685 10.603 1.00 41.12 O ATOM 2001 CB LEU A 127 13.985 4.156 13.597 1.00 70.43 C ATOM 2002 CG LEU A 127 14.637 5.539 13.604 1.00 60.33 C ATOM 2003 CD1 LEU A 127 15.623 5.658 14.756 1.00 62.42 C ATOM 2004 CD2 LEU A 127 15.329 5.810 12.277 1.00 23.45 C ATOM 0 H LEU A 127 11.560 3.953 13.983 1.00 62.42 H new ATOM 0 HA LEU A 127 13.021 4.721 11.760 1.00 24.01 H new ATOM 0 HB2 LEU A 127 13.463 4.017 14.544 1.00 70.43 H new ATOM 0 HB3 LEU A 127 14.774 3.405 13.555 1.00 70.43 H new ATOM 0 HG LEU A 127 13.856 6.287 13.742 1.00 60.33 H new ATOM 0 HD11 LEU A 127 16.077 6.649 14.745 1.00 62.42 H new ATOM 0 HD12 LEU A 127 15.099 5.509 15.700 1.00 62.42 H new ATOM 0 HD13 LEU A 127 16.400 4.901 14.649 1.00 62.42 H new ATOM 0 HD21 LEU A 127 15.787 6.799 12.301 1.00 23.45 H new ATOM 0 HD22 LEU A 127 16.099 5.057 12.108 1.00 23.45 H new ATOM 0 HD23 LEU A 127 14.597 5.768 11.470 1.00 23.45 H new