USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1029 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 35 SER OG : rot 180:sc= -0.109 USER MOD Set 1.2: A 36 ASN : amide:sc= -0.0562 K(o=-2.2,f=-3.7) USER MOD Set 1.3: A 72 ASN : amide:sc= -2.02 K(o=-2.2,f=-8.9!) USER MOD Set 2.1: A 46 THR OG1 : rot 138:sc= 0.0358 USER MOD Set 2.2: A 63 MET CE :methyl 180:sc= -0.321 (180deg=0) USER MOD Set 2.3: A 116 ASN : amide:sc=-0.000999 K(o=-0.29,f=-1.6) USER MOD Set 3.1: A 26 SER OG : rot 150:sc= -0.627 USER MOD Set 3.2: A 28 THR OG1 : rot 180:sc= 0.0483 USER MOD Single : A 3 MET CE :methyl 168:sc= -7.13! (180deg=-7.46!) USER MOD Single : A 4 THR OG1 : rot 101:sc= 1.28 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 30 GLN : amide:sc= -0.145 K(o=-0.15,f=-0.81) USER MOD Single : A 37 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-0.78) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -136:sc= -0.288 (180deg=-3.25!) USER MOD Single : A 53 GLN : amide:sc=-0.00136 X(o=-0.0014,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 44:sc= 0.536 USER MOD Single : A 79 ASN : amide:sc= -0.0317 X(o=-0.032,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 90 GLN : amide:sc= -0.154 K(o=-0.15,f=-2.2!) USER MOD Single : A 93 GLN : amide:sc=-0.00794 X(o=-0.0079,f=-0.15) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot -140:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.0349 K(o=-0.035,f=-2!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.269 K(o=-0.27,f=-3.3!) USER MOD Single : A 112 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0277) USER MOD Single : A 124 THR OG1 : rot 80:sc= 1.16 USER MOD Single : A 129 SER OG : rot 180:sc= -0.162 USER MOD Single : A 130 ASN : amide:sc=-0.00027 X(o=-0.00027,f=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N VAL A 2 2.558 2.812 0.398 1.00 51.35 N ATOM 19 CA VAL A 2 3.139 4.149 0.363 1.00 24.12 C ATOM 20 C VAL A 2 2.587 5.018 1.488 1.00 70.43 C ATOM 21 O VAL A 2 1.799 4.556 2.312 1.00 32.33 O ATOM 22 CB VAL A 2 2.872 4.843 -0.986 1.00 32.05 C ATOM 23 CG1 VAL A 2 3.582 4.110 -2.114 1.00 12.15 C ATOM 24 CG2 VAL A 2 1.377 4.929 -1.253 1.00 13.04 C ATOM 0 HA VAL A 2 4.214 4.030 0.494 1.00 24.12 H new ATOM 0 HB VAL A 2 3.269 5.857 -0.938 1.00 32.05 H new ATOM 0 HG11 VAL A 2 3.382 4.615 -3.059 1.00 12.15 H new ATOM 0 HG12 VAL A 2 4.656 4.105 -1.926 1.00 12.15 H new ATOM 0 HG13 VAL A 2 3.218 3.084 -2.167 1.00 12.15 H new ATOM 0 HG21 VAL A 2 1.206 5.422 -2.210 1.00 13.04 H new ATOM 0 HG22 VAL A 2 0.954 3.925 -1.282 1.00 13.04 H new ATOM 0 HG23 VAL A 2 0.898 5.502 -0.459 1.00 13.04 H new ATOM 34 N MET A 3 3.006 6.279 1.514 1.00 31.52 N ATOM 35 CA MET A 3 2.551 7.213 2.537 1.00 3.13 C ATOM 36 C MET A 3 1.393 8.061 2.023 1.00 55.14 C ATOM 37 O MET A 3 1.167 8.157 0.816 1.00 62.24 O ATOM 38 CB MET A 3 3.703 8.117 2.980 1.00 10.43 C ATOM 39 CG MET A 3 3.433 8.851 4.284 1.00 53.00 C ATOM 40 SD MET A 3 4.860 9.789 4.862 1.00 21.21 S ATOM 41 CE MET A 3 5.294 10.694 3.379 1.00 71.03 C ATOM 0 H MET A 3 3.659 6.677 0.839 1.00 31.52 H new ATOM 0 HA MET A 3 2.202 6.635 3.392 1.00 3.13 H new ATOM 0 HB2 MET A 3 4.604 7.515 3.092 1.00 10.43 H new ATOM 0 HB3 MET A 3 3.903 8.847 2.196 1.00 10.43 H new ATOM 0 HG2 MET A 3 2.589 9.528 4.147 1.00 53.00 H new ATOM 0 HG3 MET A 3 3.143 8.130 5.049 1.00 53.00 H new ATOM 0 HE1 MET A 3 6.016 11.472 3.626 1.00 71.03 H new ATOM 0 HE2 MET A 3 5.731 10.011 2.651 1.00 71.03 H new ATOM 0 HE3 MET A 3 4.399 11.151 2.956 1.00 71.03 H new ATOM 51 N THR A 4 0.659 8.676 2.945 1.00 31.35 N ATOM 52 CA THR A 4 -0.477 9.514 2.585 1.00 12.30 C ATOM 53 C THR A 4 -0.451 10.834 3.348 1.00 63.22 C ATOM 54 O THR A 4 -0.843 10.897 4.513 1.00 23.11 O ATOM 55 CB THR A 4 -1.813 8.800 2.864 1.00 53.14 C ATOM 56 OG1 THR A 4 -1.587 7.402 3.073 1.00 30.24 O ATOM 57 CG2 THR A 4 -2.782 8.994 1.707 1.00 52.30 C ATOM 0 H THR A 4 0.832 8.609 3.948 1.00 31.35 H new ATOM 0 HA THR A 4 -0.396 9.713 1.516 1.00 12.30 H new ATOM 0 HB THR A 4 -2.251 9.235 3.762 1.00 53.14 H new ATOM 0 HG1 THR A 4 -1.605 7.208 4.033 1.00 30.24 H new ATOM 0 HG21 THR A 4 -3.718 8.481 1.927 1.00 52.30 H new ATOM 0 HG22 THR A 4 -2.975 10.058 1.568 1.00 52.30 H new ATOM 0 HG23 THR A 4 -2.348 8.582 0.796 1.00 52.30 H new ATOM 65 N VAL A 5 0.014 11.887 2.683 1.00 14.10 N ATOM 66 CA VAL A 5 0.090 13.207 3.298 1.00 35.23 C ATOM 67 C VAL A 5 -1.110 14.064 2.910 1.00 43.12 C ATOM 68 O VAL A 5 -1.218 14.518 1.771 1.00 71.15 O ATOM 69 CB VAL A 5 1.383 13.940 2.896 1.00 51.10 C ATOM 70 CG1 VAL A 5 1.544 15.220 3.701 1.00 15.43 C ATOM 71 CG2 VAL A 5 2.589 13.031 3.078 1.00 11.11 C ATOM 0 H VAL A 5 0.344 11.852 1.718 1.00 14.10 H new ATOM 0 HA VAL A 5 0.089 13.054 4.377 1.00 35.23 H new ATOM 0 HB VAL A 5 1.315 14.209 1.842 1.00 51.10 H new ATOM 0 HG11 VAL A 5 2.463 15.724 3.403 1.00 15.43 H new ATOM 0 HG12 VAL A 5 0.694 15.876 3.515 1.00 15.43 H new ATOM 0 HG13 VAL A 5 1.591 14.979 4.763 1.00 15.43 H new ATOM 0 HG21 VAL A 5 3.494 13.565 2.789 1.00 11.11 H new ATOM 0 HG22 VAL A 5 2.663 12.730 4.123 1.00 11.11 H new ATOM 0 HG23 VAL A 5 2.475 12.146 2.452 1.00 11.11 H new ATOM 81 N ARG A 6 -2.008 14.282 3.864 1.00 12.34 N ATOM 82 CA ARG A 6 -3.201 15.085 3.622 1.00 41.11 C ATOM 83 C ARG A 6 -3.082 16.451 4.291 1.00 11.13 C ATOM 84 O ARG A 6 -2.568 16.566 5.404 1.00 11.40 O ATOM 85 CB ARG A 6 -4.444 14.359 4.138 1.00 32.43 C ATOM 86 CG ARG A 6 -4.576 14.378 5.652 1.00 11.14 C ATOM 87 CD ARG A 6 -5.000 13.021 6.192 1.00 1.12 C ATOM 88 NE ARG A 6 -6.426 12.774 5.994 1.00 44.03 N ATOM 89 CZ ARG A 6 -7.091 11.791 6.590 1.00 11.10 C ATOM 90 NH1 ARG A 6 -6.463 10.968 7.418 1.00 31.02 N ATOM 91 NH2 ARG A 6 -8.388 11.630 6.359 1.00 42.53 N ATOM 0 H ARG A 6 -1.933 13.914 4.812 1.00 12.34 H new ATOM 0 HA ARG A 6 -3.296 15.234 2.546 1.00 41.11 H new ATOM 0 HB2 ARG A 6 -5.330 14.817 3.699 1.00 32.43 H new ATOM 0 HB3 ARG A 6 -4.418 13.324 3.797 1.00 32.43 H new ATOM 0 HG2 ARG A 6 -3.624 14.667 6.098 1.00 11.14 H new ATOM 0 HG3 ARG A 6 -5.307 15.132 5.945 1.00 11.14 H new ATOM 0 HD2 ARG A 6 -4.425 12.238 5.698 1.00 1.12 H new ATOM 0 HD3 ARG A 6 -4.767 12.965 7.255 1.00 1.12 H new ATOM 0 HE ARG A 6 -6.939 13.390 5.364 1.00 44.03 H new ATOM 0 HH11 ARG A 6 -5.466 11.089 7.599 1.00 31.02 H new ATOM 0 HH12 ARG A 6 -6.976 10.214 7.874 1.00 31.02 H new ATOM 0 HH21 ARG A 6 -8.875 12.262 5.723 1.00 42.53 H new ATOM 0 HH22 ARG A 6 -8.898 10.875 6.817 1.00 42.53 H new ATOM 105 N VAL A 7 -3.561 17.484 3.605 1.00 5.32 N ATOM 106 CA VAL A 7 -3.509 18.842 4.133 1.00 3.40 C ATOM 107 C VAL A 7 -4.845 19.245 4.746 1.00 31.04 C ATOM 108 O VAL A 7 -5.906 18.848 4.263 1.00 1.30 O ATOM 109 CB VAL A 7 -3.133 19.857 3.036 1.00 33.24 C ATOM 110 CG1 VAL A 7 -2.946 21.243 3.633 1.00 5.30 C ATOM 111 CG2 VAL A 7 -1.878 19.408 2.304 1.00 50.25 C ATOM 0 H VAL A 7 -3.989 17.406 2.683 1.00 5.32 H new ATOM 0 HA VAL A 7 -2.740 18.852 4.906 1.00 3.40 H new ATOM 0 HB VAL A 7 -3.949 19.906 2.315 1.00 33.24 H new ATOM 0 HG11 VAL A 7 -2.681 21.946 2.844 1.00 5.30 H new ATOM 0 HG12 VAL A 7 -3.874 21.563 4.108 1.00 5.30 H new ATOM 0 HG13 VAL A 7 -2.149 21.215 4.376 1.00 5.30 H new ATOM 0 HG21 VAL A 7 -1.627 20.136 1.533 1.00 50.25 H new ATOM 0 HG22 VAL A 7 -1.053 19.329 3.012 1.00 50.25 H new ATOM 0 HG23 VAL A 7 -2.054 18.436 1.842 1.00 50.25 H new ATOM 121 N ILE A 8 -4.786 20.035 5.813 1.00 51.20 N ATOM 122 CA ILE A 8 -5.992 20.493 6.492 1.00 72.15 C ATOM 123 C ILE A 8 -5.895 21.973 6.846 1.00 74.11 C ATOM 124 O ILE A 8 -4.908 22.419 7.430 1.00 71.52 O ATOM 125 CB ILE A 8 -6.256 19.685 7.776 1.00 55.20 C ATOM 126 CG1 ILE A 8 -6.391 18.196 7.450 1.00 43.43 C ATOM 127 CG2 ILE A 8 -7.508 20.195 8.474 1.00 14.10 C ATOM 128 CD1 ILE A 8 -5.293 17.345 8.048 1.00 1.24 C ATOM 0 H ILE A 8 -3.916 20.371 6.226 1.00 51.20 H new ATOM 0 HA ILE A 8 -6.821 20.341 5.801 1.00 72.15 H new ATOM 0 HB ILE A 8 -5.409 19.815 8.450 1.00 55.20 H new ATOM 0 HG12 ILE A 8 -7.355 17.839 7.813 1.00 43.43 H new ATOM 0 HG13 ILE A 8 -6.390 18.068 6.368 1.00 43.43 H new ATOM 0 HG21 ILE A 8 -7.682 19.614 9.380 1.00 14.10 H new ATOM 0 HG22 ILE A 8 -7.377 21.245 8.736 1.00 14.10 H new ATOM 0 HG23 ILE A 8 -8.364 20.092 7.807 1.00 14.10 H new ATOM 0 HD11 ILE A 8 -5.453 16.302 7.776 1.00 1.24 H new ATOM 0 HD12 ILE A 8 -4.327 17.676 7.666 1.00 1.24 H new ATOM 0 HD13 ILE A 8 -5.307 17.443 9.133 1.00 1.24 H new ATOM 140 N ALA A 9 -6.928 22.730 6.490 1.00 34.32 N ATOM 141 CA ALA A 9 -6.962 24.159 6.774 1.00 21.00 C ATOM 142 C ALA A 9 -7.632 24.437 8.115 1.00 34.22 C ATOM 143 O ALA A 9 -8.369 23.609 8.652 1.00 63.33 O ATOM 144 CB ALA A 9 -7.681 24.902 5.658 1.00 34.11 C ATOM 0 H ALA A 9 -7.752 22.377 6.004 1.00 34.32 H new ATOM 0 HA ALA A 9 -5.934 24.517 6.831 1.00 21.00 H new ATOM 0 HB1 ALA A 9 -7.699 25.968 5.883 1.00 34.11 H new ATOM 0 HB2 ALA A 9 -7.157 24.739 4.716 1.00 34.11 H new ATOM 0 HB3 ALA A 9 -8.703 24.532 5.574 1.00 34.11 H new ATOM 150 N PRO A 10 -7.373 25.629 8.672 1.00 43.33 N ATOM 151 CA PRO A 10 -7.942 26.043 9.958 1.00 44.43 C ATOM 152 C PRO A 10 -9.442 26.300 9.872 1.00 52.41 C ATOM 153 O PRO A 10 -10.103 26.518 10.887 1.00 34.34 O ATOM 154 CB PRO A 10 -7.194 27.341 10.275 1.00 71.02 C ATOM 155 CG PRO A 10 -6.773 27.870 8.947 1.00 31.22 C ATOM 156 CD PRO A 10 -6.504 26.665 8.088 1.00 12.41 C ATOM 0 HA PRO A 10 -7.829 25.273 10.721 1.00 44.43 H new ATOM 0 HB2 PRO A 10 -7.836 28.050 10.798 1.00 71.02 H new ATOM 0 HB3 PRO A 10 -6.334 27.155 10.918 1.00 71.02 H new ATOM 0 HG2 PRO A 10 -7.553 28.494 8.511 1.00 31.22 H new ATOM 0 HG3 PRO A 10 -5.882 28.491 9.039 1.00 31.22 H new ATOM 0 HD2 PRO A 10 -6.750 26.853 7.043 1.00 12.41 H new ATOM 0 HD3 PRO A 10 -5.454 26.374 8.121 1.00 12.41 H new ATOM 164 N ASP A 11 -9.974 26.274 8.655 1.00 64.43 N ATOM 165 CA ASP A 11 -11.397 26.502 8.437 1.00 53.23 C ATOM 166 C ASP A 11 -12.077 25.239 7.918 1.00 52.14 C ATOM 167 O ASP A 11 -13.300 25.108 7.981 1.00 42.10 O ATOM 168 CB ASP A 11 -11.606 27.651 7.449 1.00 43.20 C ATOM 169 CG ASP A 11 -10.711 27.536 6.230 1.00 15.42 C ATOM 170 OD1 ASP A 11 -9.509 27.856 6.344 1.00 73.14 O ATOM 171 OD2 ASP A 11 -11.213 27.126 5.163 1.00 15.21 O ATOM 0 H ASP A 11 -9.440 26.097 7.804 1.00 64.43 H new ATOM 0 HA ASP A 11 -11.847 26.769 9.393 1.00 53.23 H new ATOM 0 HB2 ASP A 11 -12.648 27.668 7.131 1.00 43.20 H new ATOM 0 HB3 ASP A 11 -11.411 28.598 7.951 1.00 43.20 H new ATOM 176 N LYS A 12 -11.277 24.312 7.403 1.00 71.51 N ATOM 177 CA LYS A 12 -11.800 23.058 6.872 1.00 11.14 C ATOM 178 C LYS A 12 -10.692 22.240 6.217 1.00 22.04 C ATOM 179 O LYS A 12 -9.622 22.763 5.902 1.00 14.32 O ATOM 180 CB LYS A 12 -12.912 23.334 5.858 1.00 52.30 C ATOM 181 CG LYS A 12 -14.282 22.860 6.312 1.00 25.43 C ATOM 182 CD LYS A 12 -14.627 21.504 5.719 1.00 52.34 C ATOM 183 CE LYS A 12 -14.540 20.400 6.761 1.00 10.43 C ATOM 184 NZ LYS A 12 -15.887 19.970 7.228 1.00 53.33 N ATOM 0 H LYS A 12 -10.263 24.405 7.342 1.00 71.51 H new ATOM 0 HA LYS A 12 -12.209 22.483 7.703 1.00 11.14 H new ATOM 0 HB2 LYS A 12 -12.955 24.405 5.661 1.00 52.30 H new ATOM 0 HB3 LYS A 12 -12.662 22.846 4.916 1.00 52.30 H new ATOM 0 HG2 LYS A 12 -14.305 22.799 7.400 1.00 25.43 H new ATOM 0 HG3 LYS A 12 -15.037 23.590 6.018 1.00 25.43 H new ATOM 0 HD2 LYS A 12 -15.634 21.534 5.302 1.00 52.34 H new ATOM 0 HD3 LYS A 12 -13.948 21.283 4.896 1.00 52.34 H new ATOM 0 HE2 LYS A 12 -14.011 19.545 6.340 1.00 10.43 H new ATOM 0 HE3 LYS A 12 -13.955 20.749 7.612 1.00 10.43 H new ATOM 0 HZ1 LYS A 12 -15.784 19.216 7.937 1.00 53.33 H new ATOM 0 HZ2 LYS A 12 -16.382 20.780 7.653 1.00 53.33 H new ATOM 0 HZ3 LYS A 12 -16.437 19.613 6.421 1.00 53.33 H new ATOM 198 N THR A 13 -10.954 20.953 6.013 1.00 31.34 N ATOM 199 CA THR A 13 -9.979 20.063 5.396 1.00 74.44 C ATOM 200 C THR A 13 -9.668 20.495 3.967 1.00 21.23 C ATOM 201 O THR A 13 -10.542 20.985 3.252 1.00 44.12 O ATOM 202 CB THR A 13 -10.479 18.606 5.382 1.00 61.44 C ATOM 203 OG1 THR A 13 -9.470 17.747 4.838 1.00 50.11 O ATOM 204 CG2 THR A 13 -11.755 18.479 4.563 1.00 21.31 C ATOM 0 H THR A 13 -11.834 20.504 6.266 1.00 31.34 H new ATOM 0 HA THR A 13 -9.071 20.122 5.997 1.00 74.44 H new ATOM 0 HB THR A 13 -10.694 18.309 6.409 1.00 61.44 H new ATOM 0 HG1 THR A 13 -9.795 16.822 4.834 1.00 50.11 H new ATOM 0 HG21 THR A 13 -12.089 17.441 4.568 1.00 21.31 H new ATOM 0 HG22 THR A 13 -12.530 19.111 4.996 1.00 21.31 H new ATOM 0 HG23 THR A 13 -11.562 18.793 3.537 1.00 21.31 H new ATOM 212 N VAL A 14 -8.417 20.309 3.557 1.00 11.43 N ATOM 213 CA VAL A 14 -7.991 20.679 2.213 1.00 63.32 C ATOM 214 C VAL A 14 -8.180 19.521 1.239 1.00 50.21 C ATOM 215 O VAL A 14 -9.066 19.554 0.385 1.00 42.13 O ATOM 216 CB VAL A 14 -6.514 21.116 2.193 1.00 61.24 C ATOM 217 CG1 VAL A 14 -6.108 21.560 0.796 1.00 45.51 C ATOM 218 CG2 VAL A 14 -6.273 22.225 3.205 1.00 12.14 C ATOM 0 H VAL A 14 -7.681 19.904 4.136 1.00 11.43 H new ATOM 0 HA VAL A 14 -8.615 21.517 1.902 1.00 63.32 H new ATOM 0 HB VAL A 14 -5.896 20.262 2.471 1.00 61.24 H new ATOM 0 HG11 VAL A 14 -5.062 21.865 0.801 1.00 45.51 H new ATOM 0 HG12 VAL A 14 -6.242 20.733 0.098 1.00 45.51 H new ATOM 0 HG13 VAL A 14 -6.729 22.400 0.486 1.00 45.51 H new ATOM 0 HG21 VAL A 14 -5.224 22.521 3.177 1.00 12.14 H new ATOM 0 HG22 VAL A 14 -6.899 23.083 2.961 1.00 12.14 H new ATOM 0 HG23 VAL A 14 -6.522 21.867 4.204 1.00 12.14 H new ATOM 228 N TRP A 15 -7.343 18.499 1.374 1.00 43.33 N ATOM 229 CA TRP A 15 -7.418 17.330 0.505 1.00 32.12 C ATOM 230 C TRP A 15 -6.381 16.287 0.906 1.00 62.35 C ATOM 231 O TRP A 15 -5.592 16.503 1.826 1.00 53.42 O ATOM 232 CB TRP A 15 -7.212 17.739 -0.954 1.00 63.31 C ATOM 233 CG TRP A 15 -8.012 16.918 -1.920 1.00 13.52 C ATOM 234 CD1 TRP A 15 -7.547 16.273 -3.029 1.00 64.43 C ATOM 235 CD2 TRP A 15 -9.419 16.658 -1.863 1.00 10.35 C ATOM 236 NE1 TRP A 15 -8.579 15.627 -3.665 1.00 72.43 N ATOM 237 CE2 TRP A 15 -9.738 15.847 -2.969 1.00 20.11 C ATOM 238 CE3 TRP A 15 -10.440 17.030 -0.983 1.00 63.24 C ATOM 239 CZ2 TRP A 15 -11.034 15.404 -3.218 1.00 32.35 C ATOM 240 CZ3 TRP A 15 -11.726 16.589 -1.232 1.00 2.43 C ATOM 241 CH2 TRP A 15 -12.014 15.783 -2.341 1.00 20.34 C ATOM 0 H TRP A 15 -6.605 18.456 2.077 1.00 43.33 H new ATOM 0 HA TRP A 15 -8.409 16.890 0.614 1.00 32.12 H new ATOM 0 HB2 TRP A 15 -7.481 18.789 -1.071 1.00 63.31 H new ATOM 0 HB3 TRP A 15 -6.154 17.651 -1.203 1.00 63.31 H new ATOM 0 HD1 TRP A 15 -6.518 16.271 -3.358 1.00 64.43 H new ATOM 0 HE1 TRP A 15 -8.496 15.073 -4.517 1.00 72.43 H new ATOM 0 HE3 TRP A 15 -10.228 17.650 -0.125 1.00 63.24 H new ATOM 0 HZ2 TRP A 15 -11.258 14.783 -4.073 1.00 32.35 H new ATOM 0 HZ3 TRP A 15 -12.523 16.871 -0.560 1.00 2.43 H new ATOM 0 HH2 TRP A 15 -13.029 15.454 -2.507 1.00 20.34 H new ATOM 252 N ASP A 16 -6.387 15.155 0.209 1.00 3.42 N ATOM 253 CA ASP A 16 -5.445 14.079 0.492 1.00 65.22 C ATOM 254 C ASP A 16 -4.380 13.988 -0.597 1.00 52.23 C ATOM 255 O ASP A 16 -4.693 13.773 -1.768 1.00 2.20 O ATOM 256 CB ASP A 16 -6.183 12.745 0.613 1.00 61.22 C ATOM 257 CG ASP A 16 -5.244 11.556 0.549 1.00 34.22 C ATOM 258 OD1 ASP A 16 -4.130 11.650 1.104 1.00 44.15 O ATOM 259 OD2 ASP A 16 -5.624 10.531 -0.056 1.00 15.23 O ATOM 0 H ASP A 16 -7.034 14.960 -0.555 1.00 3.42 H new ATOM 0 HA ASP A 16 -4.953 14.300 1.439 1.00 65.22 H new ATOM 0 HB2 ASP A 16 -6.732 12.721 1.555 1.00 61.22 H new ATOM 0 HB3 ASP A 16 -6.919 12.666 -0.187 1.00 61.22 H new ATOM 264 N ALA A 17 -3.122 14.155 -0.203 1.00 61.03 N ATOM 265 CA ALA A 17 -2.012 14.091 -1.145 1.00 44.24 C ATOM 266 C ALA A 17 -1.186 12.826 -0.937 1.00 34.14 C ATOM 267 O ALA A 17 -0.152 12.834 -0.270 1.00 23.34 O ATOM 268 CB ALA A 17 -1.132 15.325 -1.009 1.00 53.43 C ATOM 0 H ALA A 17 -2.846 14.336 0.762 1.00 61.03 H new ATOM 0 HA ALA A 17 -2.426 14.062 -2.153 1.00 44.24 H new ATOM 0 HB1 ALA A 17 -0.307 15.264 -1.719 1.00 53.43 H new ATOM 0 HB2 ALA A 17 -1.723 16.218 -1.216 1.00 53.43 H new ATOM 0 HB3 ALA A 17 -0.735 15.379 0.005 1.00 53.43 H new ATOM 274 N PRO A 18 -1.653 11.711 -1.519 1.00 11.31 N ATOM 275 CA PRO A 18 -0.973 10.417 -1.410 1.00 51.23 C ATOM 276 C PRO A 18 0.342 10.387 -2.182 1.00 20.14 C ATOM 277 O PRO A 18 0.424 10.880 -3.306 1.00 64.32 O ATOM 278 CB PRO A 18 -1.976 9.437 -2.024 1.00 42.03 C ATOM 279 CG PRO A 18 -2.793 10.265 -2.955 1.00 70.42 C ATOM 280 CD PRO A 18 -2.880 11.629 -2.329 1.00 33.34 C ATOM 0 HA PRO A 18 -0.703 10.183 -0.380 1.00 51.23 H new ATOM 0 HB2 PRO A 18 -1.468 8.631 -2.553 1.00 42.03 H new ATOM 0 HB3 PRO A 18 -2.597 8.974 -1.257 1.00 42.03 H new ATOM 0 HG2 PRO A 18 -2.329 10.317 -3.940 1.00 70.42 H new ATOM 0 HG3 PRO A 18 -3.785 9.834 -3.092 1.00 70.42 H new ATOM 0 HD2 PRO A 18 -2.917 12.415 -3.083 1.00 33.34 H new ATOM 0 HD3 PRO A 18 -3.775 11.733 -1.715 1.00 33.34 H new ATOM 288 N ALA A 19 1.368 9.805 -1.570 1.00 22.03 N ATOM 289 CA ALA A 19 2.679 9.708 -2.200 1.00 52.43 C ATOM 290 C ALA A 19 3.645 8.904 -1.338 1.00 22.23 C ATOM 291 O ALA A 19 3.489 8.830 -0.119 1.00 41.14 O ATOM 292 CB ALA A 19 3.239 11.097 -2.469 1.00 11.32 C ATOM 0 H ALA A 19 1.317 9.393 -0.638 1.00 22.03 H new ATOM 0 HA ALA A 19 2.560 9.186 -3.149 1.00 52.43 H new ATOM 0 HB1 ALA A 19 4.218 11.010 -2.940 1.00 11.32 H new ATOM 0 HB2 ALA A 19 2.565 11.639 -3.132 1.00 11.32 H new ATOM 0 HB3 ALA A 19 3.336 11.639 -1.528 1.00 11.32 H new ATOM 298 N GLU A 20 4.643 8.302 -1.978 1.00 54.12 N ATOM 299 CA GLU A 20 5.633 7.502 -1.268 1.00 30.51 C ATOM 300 C GLU A 20 6.235 8.286 -0.106 1.00 13.24 C ATOM 301 O GLU A 20 5.921 8.031 1.057 1.00 51.35 O ATOM 302 CB GLU A 20 6.741 7.055 -2.224 1.00 20.31 C ATOM 303 CG GLU A 20 7.831 6.236 -1.552 1.00 73.04 C ATOM 304 CD GLU A 20 9.218 6.792 -1.807 1.00 25.41 C ATOM 305 OE1 GLU A 20 9.507 7.158 -2.966 1.00 12.04 O ATOM 306 OE2 GLU A 20 10.016 6.860 -0.848 1.00 71.35 O ATOM 0 H GLU A 20 4.787 8.353 -2.987 1.00 54.12 H new ATOM 0 HA GLU A 20 5.131 6.621 -0.868 1.00 30.51 H new ATOM 0 HB2 GLU A 20 6.300 6.466 -3.028 1.00 20.31 H new ATOM 0 HB3 GLU A 20 7.191 7.936 -2.683 1.00 20.31 H new ATOM 0 HG2 GLU A 20 7.648 6.205 -0.478 1.00 73.04 H new ATOM 0 HG3 GLU A 20 7.783 5.209 -1.913 1.00 73.04 H new ATOM 313 N GLU A 21 7.101 9.241 -0.429 1.00 64.14 N ATOM 314 CA GLU A 21 7.748 10.062 0.588 1.00 61.44 C ATOM 315 C GLU A 21 7.477 11.543 0.345 1.00 54.44 C ATOM 316 O GLU A 21 7.122 11.948 -0.763 1.00 35.42 O ATOM 317 CB GLU A 21 9.256 9.803 0.600 1.00 42.41 C ATOM 318 CG GLU A 21 9.989 10.423 -0.578 1.00 63.21 C ATOM 319 CD GLU A 21 11.460 10.056 -0.608 1.00 4.22 C ATOM 320 OE1 GLU A 21 12.192 10.466 0.318 1.00 60.22 O ATOM 321 OE2 GLU A 21 11.880 9.361 -1.556 1.00 21.50 O ATOM 0 H GLU A 21 7.371 9.465 -1.387 1.00 64.14 H new ATOM 0 HA GLU A 21 7.332 9.789 1.558 1.00 61.44 H new ATOM 0 HB2 GLU A 21 9.676 10.195 1.526 1.00 42.41 H new ATOM 0 HB3 GLU A 21 9.431 8.727 0.601 1.00 42.41 H new ATOM 0 HG2 GLU A 21 9.518 10.098 -1.506 1.00 63.21 H new ATOM 0 HG3 GLU A 21 9.890 11.508 -0.533 1.00 63.21 H new ATOM 328 N VAL A 22 7.646 12.349 1.388 1.00 12.03 N ATOM 329 CA VAL A 22 7.420 13.786 1.289 1.00 11.04 C ATOM 330 C VAL A 22 8.575 14.568 1.905 1.00 20.53 C ATOM 331 O VAL A 22 9.067 14.223 2.980 1.00 3.22 O ATOM 332 CB VAL A 22 6.108 14.197 1.984 1.00 2.12 C ATOM 333 CG1 VAL A 22 6.223 14.018 3.490 1.00 35.44 C ATOM 334 CG2 VAL A 22 5.749 15.634 1.636 1.00 31.31 C ATOM 0 H VAL A 22 7.939 12.031 2.312 1.00 12.03 H new ATOM 0 HA VAL A 22 7.350 14.023 0.227 1.00 11.04 H new ATOM 0 HB VAL A 22 5.308 13.549 1.625 1.00 2.12 H new ATOM 0 HG11 VAL A 22 5.287 14.313 3.964 1.00 35.44 H new ATOM 0 HG12 VAL A 22 6.431 12.972 3.717 1.00 35.44 H new ATOM 0 HG13 VAL A 22 7.034 14.640 3.869 1.00 35.44 H new ATOM 0 HG21 VAL A 22 4.820 15.908 2.135 1.00 31.31 H new ATOM 0 HG22 VAL A 22 6.548 16.299 1.966 1.00 31.31 H new ATOM 0 HG23 VAL A 22 5.622 15.726 0.557 1.00 31.31 H new ATOM 344 N ILE A 23 9.002 15.621 1.218 1.00 65.04 N ATOM 345 CA ILE A 23 10.099 16.453 1.698 1.00 31.40 C ATOM 346 C ILE A 23 9.656 17.902 1.868 1.00 30.22 C ATOM 347 O ILE A 23 8.962 18.455 1.014 1.00 33.21 O ATOM 348 CB ILE A 23 11.304 16.405 0.740 1.00 75.15 C ATOM 349 CG1 ILE A 23 11.801 14.967 0.581 1.00 33.45 C ATOM 350 CG2 ILE A 23 12.420 17.304 1.247 1.00 4.45 C ATOM 351 CD1 ILE A 23 11.756 14.465 -0.845 1.00 34.11 C ATOM 0 H ILE A 23 8.605 15.919 0.327 1.00 65.04 H new ATOM 0 HA ILE A 23 10.399 16.051 2.666 1.00 31.40 H new ATOM 0 HB ILE A 23 10.987 16.769 -0.237 1.00 75.15 H new ATOM 0 HG12 ILE A 23 12.825 14.903 0.948 1.00 33.45 H new ATOM 0 HG13 ILE A 23 11.196 14.311 1.208 1.00 33.45 H new ATOM 0 HG21 ILE A 23 13.264 17.259 0.559 1.00 4.45 H new ATOM 0 HG22 ILE A 23 12.059 18.330 1.312 1.00 4.45 H new ATOM 0 HG23 ILE A 23 12.738 16.968 2.234 1.00 4.45 H new ATOM 0 HD11 ILE A 23 12.123 13.439 -0.881 1.00 34.11 H new ATOM 0 HD12 ILE A 23 10.729 14.496 -1.210 1.00 34.11 H new ATOM 0 HD13 ILE A 23 12.383 15.097 -1.473 1.00 34.11 H new ATOM 363 N LEU A 24 10.063 18.513 2.975 1.00 21.23 N ATOM 364 CA LEU A 24 9.710 19.900 3.258 1.00 61.24 C ATOM 365 C LEU A 24 10.631 20.491 4.320 1.00 23.31 C ATOM 366 O LEU A 24 11.292 19.774 5.072 1.00 32.04 O ATOM 367 CB LEU A 24 8.255 19.992 3.719 1.00 13.55 C ATOM 368 CG LEU A 24 7.709 18.776 4.468 1.00 24.13 C ATOM 369 CD1 LEU A 24 8.490 18.546 5.753 1.00 62.20 C ATOM 370 CD2 LEU A 24 6.228 18.953 4.767 1.00 51.50 C ATOM 0 H LEU A 24 10.638 18.070 3.692 1.00 21.23 H new ATOM 0 HA LEU A 24 9.831 20.475 2.340 1.00 61.24 H new ATOM 0 HB2 LEU A 24 8.154 20.866 4.363 1.00 13.55 H new ATOM 0 HB3 LEU A 24 7.628 20.166 2.844 1.00 13.55 H new ATOM 0 HG LEU A 24 7.828 17.899 3.832 1.00 24.13 H new ATOM 0 HD11 LEU A 24 8.087 17.677 6.273 1.00 62.20 H new ATOM 0 HD12 LEU A 24 9.539 18.373 5.515 1.00 62.20 H new ATOM 0 HD13 LEU A 24 8.404 19.424 6.393 1.00 62.20 H new ATOM 0 HD21 LEU A 24 5.857 18.078 5.300 1.00 51.50 H new ATOM 0 HD22 LEU A 24 6.085 19.841 5.383 1.00 51.50 H new ATOM 0 HD23 LEU A 24 5.679 19.068 3.832 1.00 51.50 H new ATOM 382 N PRO A 25 10.676 21.830 4.386 1.00 24.43 N ATOM 383 CA PRO A 25 11.511 22.547 5.355 1.00 71.40 C ATOM 384 C PRO A 25 11.000 22.395 6.784 1.00 44.41 C ATOM 385 O PRO A 25 9.836 22.674 7.070 1.00 70.31 O ATOM 386 CB PRO A 25 11.407 24.005 4.902 1.00 61.03 C ATOM 387 CG PRO A 25 10.107 24.085 4.178 1.00 2.35 C ATOM 388 CD PRO A 25 9.916 22.747 3.521 1.00 73.41 C ATOM 0 HA PRO A 25 12.532 22.165 5.376 1.00 71.40 H new ATOM 0 HB2 PRO A 25 11.429 24.686 5.753 1.00 61.03 H new ATOM 0 HB3 PRO A 25 12.239 24.278 4.253 1.00 61.03 H new ATOM 0 HG2 PRO A 25 9.290 24.302 4.866 1.00 2.35 H new ATOM 0 HG3 PRO A 25 10.121 24.885 3.438 1.00 2.35 H new ATOM 0 HD2 PRO A 25 8.863 22.471 3.470 1.00 73.41 H new ATOM 0 HD3 PRO A 25 10.296 22.743 2.499 1.00 73.41 H new ATOM 396 N SER A 26 11.879 21.953 7.678 1.00 43.23 N ATOM 397 CA SER A 26 11.516 21.762 9.077 1.00 61.21 C ATOM 398 C SER A 26 12.460 22.534 9.994 1.00 62.33 C ATOM 399 O SER A 26 13.277 23.333 9.534 1.00 72.21 O ATOM 400 CB SER A 26 11.543 20.274 9.434 1.00 0.50 C ATOM 401 OG SER A 26 12.854 19.748 9.326 1.00 22.23 O ATOM 0 H SER A 26 12.848 21.721 7.458 1.00 43.23 H new ATOM 0 HA SER A 26 10.505 22.145 9.220 1.00 61.21 H new ATOM 0 HB2 SER A 26 11.174 20.134 10.450 1.00 0.50 H new ATOM 0 HB3 SER A 26 10.872 19.726 8.773 1.00 0.50 H new ATOM 0 HG SER A 26 12.967 19.016 9.968 1.00 22.23 H new ATOM 407 N THR A 27 12.343 22.289 11.295 1.00 12.22 N ATOM 408 CA THR A 27 13.184 22.961 12.278 1.00 34.20 C ATOM 409 C THR A 27 14.655 22.885 11.887 1.00 72.14 C ATOM 410 O THR A 27 15.315 23.909 11.708 1.00 11.25 O ATOM 411 CB THR A 27 13.005 22.350 13.681 1.00 41.21 C ATOM 412 OG1 THR A 27 12.676 20.961 13.572 1.00 31.13 O ATOM 413 CG2 THR A 27 11.914 23.076 14.452 1.00 15.53 C ATOM 0 H THR A 27 11.674 21.630 11.693 1.00 12.22 H new ATOM 0 HA THR A 27 12.871 24.005 12.301 1.00 34.20 H new ATOM 0 HB THR A 27 13.944 22.459 14.223 1.00 41.21 H new ATOM 0 HG1 THR A 27 12.566 20.580 14.468 1.00 31.13 H new ATOM 0 HG21 THR A 27 11.806 22.627 15.439 1.00 15.53 H new ATOM 0 HG22 THR A 27 12.182 24.127 14.559 1.00 15.53 H new ATOM 0 HG23 THR A 27 10.971 22.995 13.911 1.00 15.53 H new ATOM 421 N THR A 28 15.165 21.664 11.753 1.00 52.30 N ATOM 422 CA THR A 28 16.559 21.455 11.383 1.00 73.22 C ATOM 423 C THR A 28 16.834 21.959 9.971 1.00 64.32 C ATOM 424 O THR A 28 17.987 22.117 9.572 1.00 63.45 O ATOM 425 CB THR A 28 16.945 19.966 11.469 1.00 41.11 C ATOM 426 OG1 THR A 28 15.859 19.151 11.015 1.00 33.05 O ATOM 427 CG2 THR A 28 17.312 19.584 12.895 1.00 71.11 C ATOM 0 H THR A 28 14.633 20.805 11.895 1.00 52.30 H new ATOM 0 HA THR A 28 17.163 22.021 12.092 1.00 73.22 H new ATOM 0 HB THR A 28 17.813 19.801 10.831 1.00 41.11 H new ATOM 0 HG1 THR A 28 16.113 18.206 11.071 1.00 33.05 H new ATOM 0 HG21 THR A 28 17.581 18.528 12.931 1.00 71.11 H new ATOM 0 HG22 THR A 28 18.158 20.186 13.226 1.00 71.11 H new ATOM 0 HG23 THR A 28 16.460 19.764 13.551 1.00 71.11 H new ATOM 435 N GLY A 29 15.767 22.211 9.218 1.00 25.33 N ATOM 436 CA GLY A 29 15.916 22.695 7.858 1.00 5.14 C ATOM 437 C GLY A 29 15.417 21.699 6.830 1.00 1.53 C ATOM 438 O GLY A 29 14.717 22.070 5.889 1.00 73.34 O ATOM 0 H GLY A 29 14.802 22.088 9.526 1.00 25.33 H new ATOM 0 HA2 GLY A 29 15.369 23.632 7.747 1.00 5.14 H new ATOM 0 HA3 GLY A 29 16.966 22.914 7.667 1.00 5.14 H new ATOM 442 N GLN A 30 15.779 20.433 7.010 1.00 3.42 N ATOM 443 CA GLN A 30 15.365 19.382 6.088 1.00 12.44 C ATOM 444 C GLN A 30 14.568 18.304 6.815 1.00 22.12 C ATOM 445 O GLN A 30 14.951 17.858 7.898 1.00 14.30 O ATOM 446 CB GLN A 30 16.586 18.760 5.409 1.00 52.44 C ATOM 447 CG GLN A 30 16.702 19.105 3.932 1.00 34.35 C ATOM 448 CD GLN A 30 16.796 17.874 3.052 1.00 42.42 C ATOM 449 OE1 GLN A 30 16.194 16.840 3.343 1.00 4.42 O ATOM 450 NE2 GLN A 30 17.554 17.980 1.967 1.00 64.32 N ATOM 0 H GLN A 30 16.358 20.110 7.785 1.00 3.42 H new ATOM 0 HA GLN A 30 14.725 19.831 5.328 1.00 12.44 H new ATOM 0 HB2 GLN A 30 17.487 19.094 5.924 1.00 52.44 H new ATOM 0 HB3 GLN A 30 16.540 17.676 5.518 1.00 52.44 H new ATOM 0 HG2 GLN A 30 15.837 19.697 3.632 1.00 34.35 H new ATOM 0 HG3 GLN A 30 17.583 19.727 3.776 1.00 34.35 H new ATOM 0 HE21 GLN A 30 18.035 18.856 1.765 1.00 64.32 H new ATOM 0 HE22 GLN A 30 17.655 17.185 1.336 1.00 64.32 H new ATOM 459 N LEU A 31 13.459 17.888 6.214 1.00 40.43 N ATOM 460 CA LEU A 31 12.607 16.862 6.804 1.00 63.51 C ATOM 461 C LEU A 31 12.083 15.908 5.735 1.00 42.22 C ATOM 462 O LEU A 31 11.623 16.337 4.677 1.00 5.34 O ATOM 463 CB LEU A 31 11.436 17.507 7.546 1.00 0.32 C ATOM 464 CG LEU A 31 10.244 16.596 7.842 1.00 64.12 C ATOM 465 CD1 LEU A 31 10.696 15.353 8.592 1.00 23.24 C ATOM 466 CD2 LEU A 31 9.184 17.345 8.636 1.00 23.21 C ATOM 0 H LEU A 31 13.129 18.246 5.318 1.00 40.43 H new ATOM 0 HA LEU A 31 13.207 16.291 7.512 1.00 63.51 H new ATOM 0 HB2 LEU A 31 11.806 17.906 8.491 1.00 0.32 H new ATOM 0 HB3 LEU A 31 11.083 18.355 6.959 1.00 0.32 H new ATOM 0 HG LEU A 31 9.805 16.284 6.894 1.00 64.12 H new ATOM 0 HD11 LEU A 31 9.834 14.717 8.794 1.00 23.24 H new ATOM 0 HD12 LEU A 31 11.418 14.805 7.986 1.00 23.24 H new ATOM 0 HD13 LEU A 31 11.160 15.645 9.534 1.00 23.24 H new ATOM 0 HD21 LEU A 31 8.343 16.681 8.837 1.00 23.21 H new ATOM 0 HD22 LEU A 31 9.610 17.687 9.579 1.00 23.21 H new ATOM 0 HD23 LEU A 31 8.838 18.204 8.061 1.00 23.21 H new ATOM 478 N GLY A 32 12.154 14.611 6.019 1.00 10.22 N ATOM 479 CA GLY A 32 11.681 13.617 5.073 1.00 2.43 C ATOM 480 C GLY A 32 10.980 12.458 5.752 1.00 32.05 C ATOM 481 O GLY A 32 11.607 11.679 6.470 1.00 24.14 O ATOM 0 H GLY A 32 12.531 14.231 6.887 1.00 10.22 H new ATOM 0 HA2 GLY A 32 10.997 14.088 4.367 1.00 2.43 H new ATOM 0 HA3 GLY A 32 12.525 13.239 4.495 1.00 2.43 H new ATOM 485 N ILE A 33 9.675 12.344 5.527 1.00 22.04 N ATOM 486 CA ILE A 33 8.888 11.272 6.124 1.00 65.43 C ATOM 487 C ILE A 33 8.434 10.270 5.067 1.00 11.42 C ATOM 488 O ILE A 33 8.180 10.635 3.918 1.00 5.34 O ATOM 489 CB ILE A 33 7.652 11.822 6.859 1.00 41.23 C ATOM 490 CG1 ILE A 33 8.049 12.986 7.769 1.00 42.31 C ATOM 491 CG2 ILE A 33 6.979 10.720 7.663 1.00 63.33 C ATOM 492 CD1 ILE A 33 8.994 12.588 8.881 1.00 11.52 C ATOM 0 H ILE A 33 9.141 12.981 4.936 1.00 22.04 H new ATOM 0 HA ILE A 33 9.534 10.770 6.844 1.00 65.43 H new ATOM 0 HB ILE A 33 6.942 12.190 6.119 1.00 41.23 H new ATOM 0 HG12 ILE A 33 8.517 13.764 7.166 1.00 42.31 H new ATOM 0 HG13 ILE A 33 7.149 13.419 8.205 1.00 42.31 H new ATOM 0 HG21 ILE A 33 6.107 11.125 8.177 1.00 63.33 H new ATOM 0 HG22 ILE A 33 6.666 9.920 6.992 1.00 63.33 H new ATOM 0 HG23 ILE A 33 7.681 10.324 8.397 1.00 63.33 H new ATOM 0 HD11 ILE A 33 9.233 13.463 9.486 1.00 11.52 H new ATOM 0 HD12 ILE A 33 8.521 11.832 9.507 1.00 11.52 H new ATOM 0 HD13 ILE A 33 9.910 12.183 8.452 1.00 11.52 H new ATOM 504 N LEU A 34 8.331 9.007 5.463 1.00 30.45 N ATOM 505 CA LEU A 34 7.904 7.951 4.551 1.00 5.12 C ATOM 506 C LEU A 34 6.776 7.127 5.162 1.00 71.40 C ATOM 507 O LEU A 34 6.365 7.364 6.298 1.00 72.13 O ATOM 508 CB LEU A 34 9.085 7.042 4.204 1.00 51.42 C ATOM 509 CG LEU A 34 9.293 6.751 2.717 1.00 32.33 C ATOM 510 CD1 LEU A 34 10.734 7.023 2.316 1.00 23.44 C ATOM 511 CD2 LEU A 34 8.910 5.313 2.397 1.00 24.03 C ATOM 0 H LEU A 34 8.537 8.688 6.410 1.00 30.45 H new ATOM 0 HA LEU A 34 7.534 8.420 3.639 1.00 5.12 H new ATOM 0 HB2 LEU A 34 9.995 7.497 4.596 1.00 51.42 H new ATOM 0 HB3 LEU A 34 8.953 6.093 4.724 1.00 51.42 H new ATOM 0 HG LEU A 34 8.647 7.415 2.142 1.00 32.33 H new ATOM 0 HD11 LEU A 34 10.863 6.810 1.255 1.00 23.44 H new ATOM 0 HD12 LEU A 34 10.974 8.069 2.508 1.00 23.44 H new ATOM 0 HD13 LEU A 34 11.400 6.385 2.897 1.00 23.44 H new ATOM 0 HD21 LEU A 34 9.064 5.123 1.335 1.00 24.03 H new ATOM 0 HD22 LEU A 34 9.530 4.633 2.981 1.00 24.03 H new ATOM 0 HD23 LEU A 34 7.861 5.152 2.646 1.00 24.03 H new ATOM 523 N SER A 35 6.280 6.156 4.401 1.00 24.11 N ATOM 524 CA SER A 35 5.198 5.297 4.867 1.00 61.33 C ATOM 525 C SER A 35 5.669 4.399 6.007 1.00 1.32 C ATOM 526 O SER A 35 4.983 4.249 7.017 1.00 2.53 O ATOM 527 CB SER A 35 4.667 4.441 3.715 1.00 33.24 C ATOM 528 OG SER A 35 5.134 3.107 3.814 1.00 62.33 O ATOM 0 H SER A 35 6.610 5.945 3.459 1.00 24.11 H new ATOM 0 HA SER A 35 4.395 5.934 5.238 1.00 61.33 H new ATOM 0 HB2 SER A 35 3.577 4.450 3.724 1.00 33.24 H new ATOM 0 HB3 SER A 35 4.982 4.870 2.764 1.00 33.24 H new ATOM 0 HG SER A 35 4.780 2.580 3.068 1.00 62.33 H new ATOM 534 N ASN A 36 6.845 3.805 5.837 1.00 64.44 N ATOM 535 CA ASN A 36 7.409 2.921 6.851 1.00 44.14 C ATOM 536 C ASN A 36 7.666 3.678 8.150 1.00 44.41 C ATOM 537 O ASN A 36 7.835 3.075 9.210 1.00 70.20 O ATOM 538 CB ASN A 36 8.711 2.296 6.345 1.00 4.23 C ATOM 539 CG ASN A 36 8.494 1.403 5.140 1.00 71.45 C ATOM 540 OD1 ASN A 36 7.378 1.286 4.632 1.00 22.05 O ATOM 541 ND2 ASN A 36 9.563 0.766 4.675 1.00 53.14 N ATOM 0 H ASN A 36 7.426 3.919 5.007 1.00 64.44 H new ATOM 0 HA ASN A 36 6.687 2.129 7.050 1.00 44.14 H new ATOM 0 HB2 ASN A 36 9.414 3.088 6.085 1.00 4.23 H new ATOM 0 HB3 ASN A 36 9.167 1.715 7.147 1.00 4.23 H new ATOM 0 HD21 ASN A 36 9.478 0.151 3.866 1.00 53.14 H new ATOM 0 HD22 ASN A 36 10.469 0.892 5.127 1.00 53.14 H new ATOM 548 N HIS A 37 7.694 5.004 8.060 1.00 4.30 N ATOM 549 CA HIS A 37 7.930 5.845 9.229 1.00 75.14 C ATOM 550 C HIS A 37 7.021 5.436 10.384 1.00 55.12 C ATOM 551 O HIS A 37 5.989 4.797 10.178 1.00 1.13 O ATOM 552 CB HIS A 37 7.700 7.316 8.880 1.00 70.34 C ATOM 553 CG HIS A 37 8.427 8.266 9.781 1.00 35.31 C ATOM 554 ND1 HIS A 37 9.777 8.523 9.672 1.00 30.55 N ATOM 555 CD2 HIS A 37 7.983 9.024 10.811 1.00 55.13 C ATOM 556 CE1 HIS A 37 10.133 9.396 10.597 1.00 15.33 C ATOM 557 NE2 HIS A 37 9.062 9.717 11.301 1.00 12.10 N ATOM 0 H HIS A 37 7.556 5.519 7.191 1.00 4.30 H new ATOM 0 HA HIS A 37 8.966 5.711 9.540 1.00 75.14 H new ATOM 0 HB2 HIS A 37 8.015 7.490 7.851 1.00 70.34 H new ATOM 0 HB3 HIS A 37 6.632 7.529 8.927 1.00 70.34 H new ATOM 0 HD2 HIS A 37 6.969 9.074 11.179 1.00 55.13 H new ATOM 0 HE1 HIS A 37 11.130 9.782 10.752 1.00 15.33 H new ATOM 0 HE2 HIS A 37 9.040 10.373 12.082 1.00 12.10 H new ATOM 565 N ALA A 38 7.411 5.808 11.598 1.00 2.42 N ATOM 566 CA ALA A 38 6.631 5.482 12.785 1.00 22.53 C ATOM 567 C ALA A 38 5.709 6.633 13.170 1.00 13.13 C ATOM 568 O ALA A 38 5.870 7.767 12.719 1.00 5.34 O ATOM 569 CB ALA A 38 7.554 5.132 13.944 1.00 50.15 C ATOM 0 H ALA A 38 8.263 6.336 11.786 1.00 2.42 H new ATOM 0 HA ALA A 38 6.011 4.616 12.554 1.00 22.53 H new ATOM 0 HB1 ALA A 38 6.958 4.891 14.824 1.00 50.15 H new ATOM 0 HB2 ALA A 38 8.167 4.272 13.674 1.00 50.15 H new ATOM 0 HB3 ALA A 38 8.199 5.982 14.165 1.00 50.15 H new ATOM 575 N PRO A 39 4.717 6.338 14.023 1.00 34.24 N ATOM 576 CA PRO A 39 3.748 7.336 14.488 1.00 64.15 C ATOM 577 C PRO A 39 4.378 8.364 15.422 1.00 72.52 C ATOM 578 O PRO A 39 4.635 8.078 16.592 1.00 3.31 O ATOM 579 CB PRO A 39 2.708 6.499 15.236 1.00 12.21 C ATOM 580 CG PRO A 39 3.445 5.280 15.672 1.00 35.01 C ATOM 581 CD PRO A 39 4.464 5.007 14.601 1.00 1.10 C ATOM 0 HA PRO A 39 3.334 7.917 13.664 1.00 64.15 H new ATOM 0 HB2 PRO A 39 2.302 7.042 16.089 1.00 12.21 H new ATOM 0 HB3 PRO A 39 1.867 6.244 14.591 1.00 12.21 H new ATOM 0 HG2 PRO A 39 3.926 5.439 16.637 1.00 35.01 H new ATOM 0 HG3 PRO A 39 2.767 4.435 15.790 1.00 35.01 H new ATOM 0 HD2 PRO A 39 5.373 4.569 15.013 1.00 1.10 H new ATOM 0 HD3 PRO A 39 4.085 4.310 13.854 1.00 1.10 H new ATOM 589 N LEU A 40 4.623 9.560 14.899 1.00 62.34 N ATOM 590 CA LEU A 40 5.222 10.631 15.687 1.00 45.14 C ATOM 591 C LEU A 40 4.758 11.997 15.191 1.00 63.13 C ATOM 592 O LEU A 40 4.440 12.166 14.013 1.00 52.40 O ATOM 593 CB LEU A 40 6.748 10.545 15.624 1.00 24.31 C ATOM 594 CG LEU A 40 7.513 11.535 16.503 1.00 44.34 C ATOM 595 CD1 LEU A 40 8.569 10.814 17.326 1.00 62.02 C ATOM 596 CD2 LEU A 40 8.150 12.623 15.650 1.00 64.22 C ATOM 0 H LEU A 40 4.416 9.813 13.933 1.00 62.34 H new ATOM 0 HA LEU A 40 4.900 10.511 16.721 1.00 45.14 H new ATOM 0 HB2 LEU A 40 7.047 9.535 15.904 1.00 24.31 H new ATOM 0 HB3 LEU A 40 7.058 10.694 14.590 1.00 24.31 H new ATOM 0 HG LEU A 40 6.807 12.004 17.188 1.00 44.34 H new ATOM 0 HD11 LEU A 40 9.103 11.535 17.945 1.00 62.02 H new ATOM 0 HD12 LEU A 40 8.089 10.073 17.965 1.00 62.02 H new ATOM 0 HD13 LEU A 40 9.273 10.317 16.659 1.00 62.02 H new ATOM 0 HD21 LEU A 40 8.690 13.319 16.292 1.00 64.22 H new ATOM 0 HD22 LEU A 40 8.843 12.170 14.941 1.00 64.22 H new ATOM 0 HD23 LEU A 40 7.373 13.160 15.106 1.00 64.22 H new ATOM 608 N LEU A 41 4.724 12.969 16.096 1.00 64.23 N ATOM 609 CA LEU A 41 4.301 14.322 15.750 1.00 25.51 C ATOM 610 C LEU A 41 5.505 15.247 15.602 1.00 52.10 C ATOM 611 O LEU A 41 6.531 15.060 16.257 1.00 71.33 O ATOM 612 CB LEU A 41 3.351 14.868 16.817 1.00 4.21 C ATOM 613 CG LEU A 41 3.938 15.026 18.220 1.00 14.15 C ATOM 614 CD1 LEU A 41 4.206 16.492 18.525 1.00 22.41 C ATOM 615 CD2 LEU A 41 3.002 14.426 19.260 1.00 50.21 C ATOM 0 H LEU A 41 4.984 12.846 17.075 1.00 64.23 H new ATOM 0 HA LEU A 41 3.779 14.281 14.794 1.00 25.51 H new ATOM 0 HB2 LEU A 41 2.985 15.840 16.486 1.00 4.21 H new ATOM 0 HB3 LEU A 41 2.487 14.206 16.879 1.00 4.21 H new ATOM 0 HG LEU A 41 4.886 14.489 18.259 1.00 14.15 H new ATOM 0 HD11 LEU A 41 4.623 16.585 19.528 1.00 22.41 H new ATOM 0 HD12 LEU A 41 4.914 16.891 17.799 1.00 22.41 H new ATOM 0 HD13 LEU A 41 3.273 17.052 18.467 1.00 22.41 H new ATOM 0 HD21 LEU A 41 3.435 14.547 20.253 1.00 50.21 H new ATOM 0 HD22 LEU A 41 2.039 14.935 19.220 1.00 50.21 H new ATOM 0 HD23 LEU A 41 2.860 13.365 19.053 1.00 50.21 H new ATOM 627 N THR A 42 5.372 16.249 14.738 1.00 33.12 N ATOM 628 CA THR A 42 6.447 17.205 14.505 1.00 71.34 C ATOM 629 C THR A 42 5.896 18.608 14.281 1.00 11.35 C ATOM 630 O THR A 42 4.684 18.802 14.187 1.00 64.14 O ATOM 631 CB THR A 42 7.302 16.802 13.289 1.00 63.14 C ATOM 632 OG1 THR A 42 6.457 16.362 12.219 1.00 25.15 O ATOM 633 CG2 THR A 42 8.280 15.696 13.657 1.00 10.21 C ATOM 0 H THR A 42 4.530 16.419 14.188 1.00 33.12 H new ATOM 0 HA THR A 42 7.072 17.202 15.398 1.00 71.34 H new ATOM 0 HB THR A 42 7.870 17.675 12.967 1.00 63.14 H new ATOM 0 HG1 THR A 42 7.009 16.109 11.449 1.00 25.15 H new ATOM 0 HG21 THR A 42 8.873 15.428 12.782 1.00 10.21 H new ATOM 0 HG22 THR A 42 8.941 16.044 14.451 1.00 10.21 H new ATOM 0 HG23 THR A 42 7.728 14.822 14.002 1.00 10.21 H new ATOM 641 N ALA A 43 6.793 19.585 14.198 1.00 64.12 N ATOM 642 CA ALA A 43 6.397 20.971 13.983 1.00 75.12 C ATOM 643 C ALA A 43 7.082 21.554 12.752 1.00 65.21 C ATOM 644 O ALA A 43 8.245 21.254 12.476 1.00 72.43 O ATOM 645 CB ALA A 43 6.715 21.808 15.213 1.00 71.11 C ATOM 0 H ALA A 43 7.800 19.442 14.277 1.00 64.12 H new ATOM 0 HA ALA A 43 5.321 20.992 13.811 1.00 75.12 H new ATOM 0 HB1 ALA A 43 6.414 22.841 15.038 1.00 71.11 H new ATOM 0 HB2 ALA A 43 6.173 21.413 16.072 1.00 71.11 H new ATOM 0 HB3 ALA A 43 7.786 21.771 15.411 1.00 71.11 H new ATOM 651 N LEU A 44 6.357 22.387 12.015 1.00 14.42 N ATOM 652 CA LEU A 44 6.895 23.012 10.812 1.00 4.52 C ATOM 653 C LEU A 44 6.441 24.464 10.702 1.00 15.24 C ATOM 654 O LEU A 44 5.407 24.844 11.253 1.00 63.45 O ATOM 655 CB LEU A 44 6.459 22.234 9.570 1.00 72.01 C ATOM 656 CG LEU A 44 6.724 20.728 9.594 1.00 14.20 C ATOM 657 CD1 LEU A 44 6.110 20.059 8.374 1.00 31.32 C ATOM 658 CD2 LEU A 44 8.218 20.450 9.662 1.00 42.53 C ATOM 0 H LEU A 44 5.394 22.646 12.229 1.00 14.42 H new ATOM 0 HA LEU A 44 7.983 22.995 10.880 1.00 4.52 H new ATOM 0 HB2 LEU A 44 5.391 22.392 9.423 1.00 72.01 H new ATOM 0 HB3 LEU A 44 6.966 22.658 8.703 1.00 72.01 H new ATOM 0 HG LEU A 44 6.257 20.310 10.486 1.00 14.20 H new ATOM 0 HD11 LEU A 44 6.309 18.988 8.408 1.00 31.32 H new ATOM 0 HD12 LEU A 44 5.033 20.229 8.369 1.00 31.32 H new ATOM 0 HD13 LEU A 44 6.548 20.481 7.469 1.00 31.32 H new ATOM 0 HD21 LEU A 44 8.387 19.373 9.678 1.00 42.53 H new ATOM 0 HD22 LEU A 44 8.708 20.881 8.789 1.00 42.53 H new ATOM 0 HD23 LEU A 44 8.630 20.896 10.567 1.00 42.53 H new ATOM 670 N GLU A 45 7.218 25.270 9.987 1.00 44.34 N ATOM 671 CA GLU A 45 6.894 26.680 9.804 1.00 53.11 C ATOM 672 C GLU A 45 6.296 26.926 8.422 1.00 41.15 C ATOM 673 O GLU A 45 6.184 26.008 7.608 1.00 44.42 O ATOM 674 CB GLU A 45 8.143 27.543 9.992 1.00 23.32 C ATOM 675 CG GLU A 45 8.587 27.664 11.440 1.00 15.25 C ATOM 676 CD GLU A 45 9.345 26.443 11.923 1.00 43.13 C ATOM 677 OE1 GLU A 45 10.561 26.353 11.651 1.00 53.42 O ATOM 678 OE2 GLU A 45 8.723 25.577 12.573 1.00 52.04 O ATOM 0 H GLU A 45 8.077 24.971 9.525 1.00 44.34 H new ATOM 0 HA GLU A 45 6.155 26.956 10.556 1.00 53.11 H new ATOM 0 HB2 GLU A 45 8.958 27.120 9.405 1.00 23.32 H new ATOM 0 HB3 GLU A 45 7.949 28.540 9.596 1.00 23.32 H new ATOM 0 HG2 GLU A 45 9.218 28.546 11.550 1.00 15.25 H new ATOM 0 HG3 GLU A 45 7.713 27.818 12.072 1.00 15.25 H new ATOM 685 N THR A 46 5.912 28.172 8.162 1.00 1.33 N ATOM 686 CA THR A 46 5.324 28.540 6.880 1.00 23.04 C ATOM 687 C THR A 46 6.311 28.319 5.740 1.00 71.14 C ATOM 688 O THR A 46 7.524 28.379 5.935 1.00 41.34 O ATOM 689 CB THR A 46 4.869 30.011 6.873 1.00 41.55 C ATOM 690 OG1 THR A 46 4.422 30.379 5.563 1.00 41.03 O ATOM 691 CG2 THR A 46 6.002 30.931 7.304 1.00 71.32 C ATOM 0 H THR A 46 5.998 28.944 8.823 1.00 1.33 H new ATOM 0 HA THR A 46 4.455 27.898 6.734 1.00 23.04 H new ATOM 0 HB THR A 46 4.047 30.117 7.581 1.00 41.55 H new ATOM 0 HG1 THR A 46 3.607 30.919 5.635 1.00 41.03 H new ATOM 0 HG21 THR A 46 5.656 31.965 7.291 1.00 71.32 H new ATOM 0 HG22 THR A 46 6.321 30.668 8.312 1.00 71.32 H new ATOM 0 HG23 THR A 46 6.841 30.821 6.618 1.00 71.32 H new ATOM 699 N GLY A 47 5.782 28.063 4.547 1.00 51.12 N ATOM 700 CA GLY A 47 6.631 27.838 3.392 1.00 71.44 C ATOM 701 C GLY A 47 6.031 26.844 2.416 1.00 1.23 C ATOM 702 O GLY A 47 4.883 26.427 2.571 1.00 41.33 O ATOM 0 H GLY A 47 4.781 28.008 4.360 1.00 51.12 H new ATOM 0 HA2 GLY A 47 6.803 28.785 2.881 1.00 71.44 H new ATOM 0 HA3 GLY A 47 7.603 27.474 3.725 1.00 71.44 H new ATOM 706 N VAL A 48 6.809 26.465 1.407 1.00 33.43 N ATOM 707 CA VAL A 48 6.348 25.514 0.402 1.00 15.51 C ATOM 708 C VAL A 48 6.698 24.084 0.796 1.00 11.13 C ATOM 709 O VAL A 48 7.681 23.846 1.497 1.00 63.12 O ATOM 710 CB VAL A 48 6.957 25.819 -0.979 1.00 61.42 C ATOM 711 CG1 VAL A 48 8.458 25.575 -0.966 1.00 24.40 C ATOM 712 CG2 VAL A 48 6.282 24.981 -2.055 1.00 41.41 C ATOM 0 H VAL A 48 7.761 26.802 1.264 1.00 33.43 H new ATOM 0 HA VAL A 48 5.264 25.615 0.344 1.00 15.51 H new ATOM 0 HB VAL A 48 6.786 26.871 -1.208 1.00 61.42 H new ATOM 0 HG11 VAL A 48 8.871 25.796 -1.950 1.00 24.40 H new ATOM 0 HG12 VAL A 48 8.925 26.221 -0.223 1.00 24.40 H new ATOM 0 HG13 VAL A 48 8.655 24.533 -0.715 1.00 24.40 H new ATOM 0 HG21 VAL A 48 6.724 25.209 -3.025 1.00 41.41 H new ATOM 0 HG22 VAL A 48 6.421 23.923 -1.833 1.00 41.41 H new ATOM 0 HG23 VAL A 48 5.217 25.210 -2.079 1.00 41.41 H new ATOM 722 N MET A 49 5.887 23.135 0.341 1.00 53.01 N ATOM 723 CA MET A 49 6.112 21.727 0.645 1.00 63.31 C ATOM 724 C MET A 49 6.305 20.919 -0.634 1.00 71.54 C ATOM 725 O MET A 49 5.684 21.203 -1.659 1.00 5.41 O ATOM 726 CB MET A 49 4.939 21.162 1.447 1.00 34.41 C ATOM 727 CG MET A 49 4.995 19.653 1.626 1.00 50.20 C ATOM 728 SD MET A 49 3.575 19.007 2.530 1.00 52.30 S ATOM 729 CE MET A 49 2.607 18.316 1.191 1.00 61.22 C ATOM 0 H MET A 49 5.068 23.315 -0.240 1.00 53.01 H new ATOM 0 HA MET A 49 7.021 21.651 1.242 1.00 63.31 H new ATOM 0 HB2 MET A 49 4.919 21.635 2.429 1.00 34.41 H new ATOM 0 HB3 MET A 49 4.007 21.426 0.947 1.00 34.41 H new ATOM 0 HG2 MET A 49 5.045 19.177 0.647 1.00 50.20 H new ATOM 0 HG3 MET A 49 5.910 19.388 2.156 1.00 50.20 H new ATOM 0 HE1 MET A 49 1.559 18.586 1.323 1.00 61.22 H new ATOM 0 HE2 MET A 49 2.967 18.710 0.241 1.00 61.22 H new ATOM 0 HE3 MET A 49 2.705 17.230 1.194 1.00 61.22 H new ATOM 739 N ARG A 50 7.168 19.910 -0.568 1.00 3.42 N ATOM 740 CA ARG A 50 7.443 19.062 -1.722 1.00 2.55 C ATOM 741 C ARG A 50 6.983 17.630 -1.466 1.00 11.33 C ATOM 742 O ARG A 50 7.235 17.067 -0.400 1.00 71.15 O ATOM 743 CB ARG A 50 8.938 19.078 -2.049 1.00 15.55 C ATOM 744 CG ARG A 50 9.541 20.473 -2.072 1.00 1.34 C ATOM 745 CD ARG A 50 10.957 20.458 -2.625 1.00 4.30 C ATOM 746 NE ARG A 50 11.939 20.090 -1.608 1.00 34.01 N ATOM 747 CZ ARG A 50 13.246 20.026 -1.837 1.00 15.14 C ATOM 748 NH1 ARG A 50 13.726 20.305 -3.041 1.00 34.14 N ATOM 749 NH2 ARG A 50 14.075 19.683 -0.860 1.00 3.24 N ATOM 0 H ARG A 50 7.689 19.660 0.273 1.00 3.42 H new ATOM 0 HA ARG A 50 6.888 19.457 -2.572 1.00 2.55 H new ATOM 0 HB2 ARG A 50 9.469 18.474 -1.313 1.00 15.55 H new ATOM 0 HB3 ARG A 50 9.094 18.608 -3.020 1.00 15.55 H new ATOM 0 HG2 ARG A 50 8.919 21.130 -2.680 1.00 1.34 H new ATOM 0 HG3 ARG A 50 9.548 20.885 -1.063 1.00 1.34 H new ATOM 0 HD2 ARG A 50 11.014 19.754 -3.455 1.00 4.30 H new ATOM 0 HD3 ARG A 50 11.200 21.443 -3.024 1.00 4.30 H new ATOM 0 HE ARG A 50 11.603 19.870 -0.671 1.00 34.01 H new ATOM 0 HH11 ARG A 50 13.091 20.570 -3.794 1.00 34.14 H new ATOM 0 HH12 ARG A 50 14.730 20.255 -3.214 1.00 34.14 H new ATOM 0 HH21 ARG A 50 13.709 19.468 0.068 1.00 3.24 H new ATOM 0 HH22 ARG A 50 15.078 19.634 -1.036 1.00 3.24 H new ATOM 763 N VAL A 51 6.306 17.047 -2.450 1.00 20.02 N ATOM 764 CA VAL A 51 5.811 15.681 -2.332 1.00 32.31 C ATOM 765 C VAL A 51 6.427 14.779 -3.396 1.00 54.31 C ATOM 766 O VAL A 51 6.668 15.209 -4.524 1.00 74.13 O ATOM 767 CB VAL A 51 4.276 15.627 -2.455 1.00 4.32 C ATOM 768 CG1 VAL A 51 3.763 14.233 -2.130 1.00 72.24 C ATOM 769 CG2 VAL A 51 3.633 16.666 -1.548 1.00 23.41 C ATOM 0 H VAL A 51 6.088 17.499 -3.338 1.00 20.02 H new ATOM 0 HA VAL A 51 6.102 15.324 -1.344 1.00 32.31 H new ATOM 0 HB VAL A 51 4.003 15.857 -3.485 1.00 4.32 H new ATOM 0 HG11 VAL A 51 2.677 14.214 -2.222 1.00 72.24 H new ATOM 0 HG12 VAL A 51 4.199 13.514 -2.824 1.00 72.24 H new ATOM 0 HG13 VAL A 51 4.045 13.970 -1.111 1.00 72.24 H new ATOM 0 HG21 VAL A 51 2.549 16.614 -1.647 1.00 23.41 H new ATOM 0 HG22 VAL A 51 3.913 16.469 -0.513 1.00 23.41 H new ATOM 0 HG23 VAL A 51 3.976 17.660 -1.833 1.00 23.41 H new ATOM 779 N ARG A 52 6.678 13.527 -3.029 1.00 64.14 N ATOM 780 CA ARG A 52 7.267 12.564 -3.953 1.00 10.25 C ATOM 781 C ARG A 52 6.397 11.316 -4.064 1.00 73.20 C ATOM 782 O ARG A 52 6.338 10.505 -3.140 1.00 72.23 O ATOM 783 CB ARG A 52 8.674 12.179 -3.492 1.00 70.42 C ATOM 784 CG ARG A 52 9.764 12.558 -4.482 1.00 32.15 C ATOM 785 CD ARG A 52 10.977 11.651 -4.348 1.00 43.32 C ATOM 786 NE ARG A 52 12.158 12.219 -4.992 1.00 45.53 N ATOM 787 CZ ARG A 52 13.222 11.504 -5.339 1.00 25.31 C ATOM 788 NH1 ARG A 52 13.253 10.199 -5.105 1.00 12.11 N ATOM 789 NH2 ARG A 52 14.259 12.093 -5.921 1.00 71.05 N ATOM 0 H ARG A 52 6.483 13.155 -2.099 1.00 64.14 H new ATOM 0 HA ARG A 52 7.329 13.031 -4.936 1.00 10.25 H new ATOM 0 HB2 ARG A 52 8.879 12.662 -2.536 1.00 70.42 H new ATOM 0 HB3 ARG A 52 8.709 11.103 -3.320 1.00 70.42 H new ATOM 0 HG2 ARG A 52 9.372 12.496 -5.497 1.00 32.15 H new ATOM 0 HG3 ARG A 52 10.062 13.593 -4.318 1.00 32.15 H new ATOM 0 HD2 ARG A 52 11.187 11.480 -3.292 1.00 43.32 H new ATOM 0 HD3 ARG A 52 10.754 10.680 -4.790 1.00 43.32 H new ATOM 0 HE ARG A 52 12.166 13.220 -5.186 1.00 45.53 H new ATOM 0 HH11 ARG A 52 12.458 9.742 -4.658 1.00 12.11 H new ATOM 0 HH12 ARG A 52 14.071 9.652 -5.373 1.00 12.11 H new ATOM 0 HH21 ARG A 52 14.240 13.097 -6.103 1.00 71.05 H new ATOM 0 HH22 ARG A 52 15.075 11.542 -6.187 1.00 71.05 H new ATOM 803 N GLN A 53 5.723 11.170 -5.200 1.00 61.25 N ATOM 804 CA GLN A 53 4.855 10.021 -5.431 1.00 43.14 C ATOM 805 C GLN A 53 5.659 8.822 -5.925 1.00 12.34 C ATOM 806 O GLN A 53 5.371 7.680 -5.567 1.00 31.03 O ATOM 807 CB GLN A 53 3.767 10.373 -6.447 1.00 41.31 C ATOM 808 CG GLN A 53 2.557 9.456 -6.385 1.00 34.23 C ATOM 809 CD GLN A 53 2.036 9.082 -7.759 1.00 0.24 C ATOM 810 OE1 GLN A 53 1.687 9.950 -8.560 1.00 35.43 O ATOM 811 NE2 GLN A 53 1.982 7.785 -8.039 1.00 13.42 N ATOM 0 H GLN A 53 5.761 11.833 -5.975 1.00 61.25 H new ATOM 0 HA GLN A 53 4.386 9.756 -4.484 1.00 43.14 H new ATOM 0 HB2 GLN A 53 3.443 11.400 -6.279 1.00 41.31 H new ATOM 0 HB3 GLN A 53 4.192 10.333 -7.450 1.00 41.31 H new ATOM 0 HG2 GLN A 53 2.821 8.549 -5.842 1.00 34.23 H new ATOM 0 HG3 GLN A 53 1.763 9.946 -5.821 1.00 34.23 H new ATOM 0 HE21 GLN A 53 2.282 7.100 -7.345 1.00 13.42 H new ATOM 0 HE22 GLN A 53 1.641 7.473 -8.948 1.00 13.42 H new ATOM 820 N ASP A 54 6.666 9.090 -6.748 1.00 5.13 N ATOM 821 CA ASP A 54 7.513 8.033 -7.290 1.00 15.22 C ATOM 822 C ASP A 54 8.608 8.616 -8.177 1.00 62.41 C ATOM 823 O ASP A 54 9.790 8.564 -7.836 1.00 31.12 O ATOM 824 CB ASP A 54 6.671 7.035 -8.086 1.00 71.13 C ATOM 825 CG ASP A 54 6.768 5.626 -7.535 1.00 14.14 C ATOM 826 OD1 ASP A 54 6.115 5.345 -6.507 1.00 64.22 O ATOM 827 OD2 ASP A 54 7.495 4.805 -8.131 1.00 32.43 O ATOM 0 H ASP A 54 6.916 10.030 -7.055 1.00 5.13 H new ATOM 0 HA ASP A 54 7.985 7.514 -6.456 1.00 15.22 H new ATOM 0 HB2 ASP A 54 5.629 7.355 -8.077 1.00 71.13 H new ATOM 0 HB3 ASP A 54 6.996 7.038 -9.126 1.00 71.13 H new ATOM 832 N ARG A 55 8.208 9.168 -9.317 1.00 53.44 N ATOM 833 CA ARG A 55 9.156 9.758 -10.255 1.00 13.42 C ATOM 834 C ARG A 55 8.916 11.258 -10.399 1.00 12.40 C ATOM 835 O ARG A 55 9.828 12.013 -10.734 1.00 24.32 O ATOM 836 CB ARG A 55 9.044 9.080 -11.621 1.00 60.42 C ATOM 837 CG ARG A 55 10.370 8.561 -12.154 1.00 33.54 C ATOM 838 CD ARG A 55 10.920 9.459 -13.251 1.00 35.35 C ATOM 839 NE ARG A 55 12.366 9.321 -13.397 1.00 70.54 N ATOM 840 CZ ARG A 55 12.952 8.252 -13.926 1.00 42.10 C ATOM 841 NH1 ARG A 55 12.219 7.234 -14.356 1.00 43.41 N ATOM 842 NH2 ARG A 55 14.274 8.201 -14.026 1.00 24.43 N ATOM 0 H ARG A 55 7.234 9.219 -9.614 1.00 53.44 H new ATOM 0 HA ARG A 55 10.161 9.604 -9.862 1.00 13.42 H new ATOM 0 HB2 ARG A 55 8.341 8.250 -11.549 1.00 60.42 H new ATOM 0 HB3 ARG A 55 8.627 9.789 -12.336 1.00 60.42 H new ATOM 0 HG2 ARG A 55 11.091 8.497 -11.339 1.00 33.54 H new ATOM 0 HG3 ARG A 55 10.237 7.551 -12.542 1.00 33.54 H new ATOM 0 HD2 ARG A 55 10.435 9.215 -14.196 1.00 35.35 H new ATOM 0 HD3 ARG A 55 10.676 10.497 -13.026 1.00 35.35 H new ATOM 0 HE ARG A 55 12.959 10.086 -13.076 1.00 70.54 H new ATOM 0 HH11 ARG A 55 11.202 7.270 -14.281 1.00 43.41 H new ATOM 0 HH12 ARG A 55 12.672 6.415 -14.762 1.00 43.41 H new ATOM 0 HH21 ARG A 55 14.841 8.982 -13.697 1.00 24.43 H new ATOM 0 HH22 ARG A 55 14.723 7.380 -14.432 1.00 24.43 H new ATOM 856 N GLU A 56 7.682 11.682 -10.144 1.00 52.43 N ATOM 857 CA GLU A 56 7.323 13.092 -10.247 1.00 74.24 C ATOM 858 C GLU A 56 7.257 13.739 -8.867 1.00 2.00 C ATOM 859 O GLU A 56 7.430 13.071 -7.848 1.00 23.41 O ATOM 860 CB GLU A 56 5.977 13.247 -10.960 1.00 5.41 C ATOM 861 CG GLU A 56 5.953 12.642 -12.353 1.00 61.32 C ATOM 862 CD GLU A 56 5.301 13.553 -13.374 1.00 52.44 C ATOM 863 OE1 GLU A 56 4.153 13.984 -13.136 1.00 51.34 O ATOM 864 OE2 GLU A 56 5.937 13.836 -14.411 1.00 23.32 O ATOM 0 H GLU A 56 6.915 11.070 -9.865 1.00 52.43 H new ATOM 0 HA GLU A 56 8.095 13.596 -10.829 1.00 74.24 H new ATOM 0 HB2 GLU A 56 5.200 12.779 -10.356 1.00 5.41 H new ATOM 0 HB3 GLU A 56 5.732 14.307 -11.029 1.00 5.41 H new ATOM 0 HG2 GLU A 56 6.973 12.422 -12.667 1.00 61.32 H new ATOM 0 HG3 GLU A 56 5.417 11.693 -12.324 1.00 61.32 H new ATOM 871 N TRP A 57 7.007 15.043 -8.843 1.00 70.01 N ATOM 872 CA TRP A 57 6.919 15.781 -7.588 1.00 43.33 C ATOM 873 C TRP A 57 5.898 16.909 -7.690 1.00 70.23 C ATOM 874 O TRP A 57 5.617 17.408 -8.780 1.00 11.22 O ATOM 875 CB TRP A 57 8.288 16.349 -7.210 1.00 42.32 C ATOM 876 CG TRP A 57 8.919 17.158 -8.304 1.00 35.44 C ATOM 877 CD1 TRP A 57 8.552 18.407 -8.714 1.00 41.53 C ATOM 878 CD2 TRP A 57 10.024 16.771 -9.127 1.00 23.22 C ATOM 879 NE1 TRP A 57 9.363 18.821 -9.743 1.00 65.02 N ATOM 880 CE2 TRP A 57 10.275 17.835 -10.014 1.00 43.44 C ATOM 881 CE3 TRP A 57 10.828 15.630 -9.199 1.00 61.01 C ATOM 882 CZ2 TRP A 57 11.295 17.790 -10.962 1.00 32.25 C ATOM 883 CZ3 TRP A 57 11.839 15.586 -10.140 1.00 3.22 C ATOM 884 CH2 TRP A 57 12.066 16.661 -11.010 1.00 62.42 C ATOM 0 H TRP A 57 6.862 15.611 -9.678 1.00 70.01 H new ATOM 0 HA TRP A 57 6.593 15.090 -6.811 1.00 43.33 H new ATOM 0 HB2 TRP A 57 8.182 16.972 -6.322 1.00 42.32 H new ATOM 0 HB3 TRP A 57 8.954 15.527 -6.945 1.00 42.32 H new ATOM 0 HD1 TRP A 57 7.743 18.985 -8.292 1.00 41.53 H new ATOM 0 HE1 TRP A 57 9.297 19.717 -10.227 1.00 65.02 H new ATOM 0 HE3 TRP A 57 10.662 14.798 -8.531 1.00 61.01 H new ATOM 0 HZ2 TRP A 57 11.471 18.617 -11.635 1.00 32.25 H new ATOM 0 HZ3 TRP A 57 12.465 14.708 -10.206 1.00 3.22 H new ATOM 0 HH2 TRP A 57 12.866 16.597 -11.733 1.00 62.42 H new ATOM 895 N VAL A 58 5.345 17.306 -6.548 1.00 42.05 N ATOM 896 CA VAL A 58 4.356 18.376 -6.510 1.00 14.12 C ATOM 897 C VAL A 58 4.713 19.417 -5.455 1.00 12.10 C ATOM 898 O VAL A 58 5.329 19.099 -4.438 1.00 51.32 O ATOM 899 CB VAL A 58 2.947 17.827 -6.217 1.00 54.21 C ATOM 900 CG1 VAL A 58 1.904 18.925 -6.367 1.00 21.34 C ATOM 901 CG2 VAL A 58 2.632 16.653 -7.132 1.00 51.30 C ATOM 0 H VAL A 58 5.565 16.903 -5.637 1.00 42.05 H new ATOM 0 HA VAL A 58 4.358 18.845 -7.494 1.00 14.12 H new ATOM 0 HB VAL A 58 2.921 17.472 -5.187 1.00 54.21 H new ATOM 0 HG11 VAL A 58 0.915 18.518 -6.156 1.00 21.34 H new ATOM 0 HG12 VAL A 58 2.122 19.732 -5.667 1.00 21.34 H new ATOM 0 HG13 VAL A 58 1.927 19.312 -7.386 1.00 21.34 H new ATOM 0 HG21 VAL A 58 1.633 16.278 -6.911 1.00 51.30 H new ATOM 0 HG22 VAL A 58 2.676 16.980 -8.171 1.00 51.30 H new ATOM 0 HG23 VAL A 58 3.362 15.860 -6.970 1.00 51.30 H new ATOM 911 N ALA A 59 4.321 20.662 -5.704 1.00 42.51 N ATOM 912 CA ALA A 59 4.598 21.751 -4.775 1.00 33.45 C ATOM 913 C ALA A 59 3.308 22.422 -4.315 1.00 74.44 C ATOM 914 O ALA A 59 2.388 22.627 -5.108 1.00 32.21 O ATOM 915 CB ALA A 59 5.526 22.771 -5.417 1.00 73.23 C ATOM 0 H ALA A 59 3.810 20.942 -6.542 1.00 42.51 H new ATOM 0 HA ALA A 59 5.091 21.330 -3.898 1.00 33.45 H new ATOM 0 HB1 ALA A 59 5.724 23.578 -4.711 1.00 73.23 H new ATOM 0 HB2 ALA A 59 6.465 22.288 -5.689 1.00 73.23 H new ATOM 0 HB3 ALA A 59 5.055 23.179 -6.312 1.00 73.23 H new ATOM 921 N ILE A 60 3.247 22.760 -3.032 1.00 53.30 N ATOM 922 CA ILE A 60 2.069 23.408 -2.469 1.00 10.44 C ATOM 923 C ILE A 60 2.461 24.453 -1.430 1.00 12.54 C ATOM 924 O ILE A 60 3.474 24.314 -0.746 1.00 22.14 O ATOM 925 CB ILE A 60 1.120 22.385 -1.818 1.00 21.51 C ATOM 926 CG1 ILE A 60 0.845 21.227 -2.781 1.00 4.45 C ATOM 927 CG2 ILE A 60 -0.181 23.056 -1.404 1.00 5.42 C ATOM 928 CD1 ILE A 60 -0.029 20.144 -2.189 1.00 54.23 C ATOM 0 H ILE A 60 3.999 22.596 -2.363 1.00 53.30 H new ATOM 0 HA ILE A 60 1.552 23.896 -3.295 1.00 10.44 H new ATOM 0 HB ILE A 60 1.600 21.985 -0.925 1.00 21.51 H new ATOM 0 HG12 ILE A 60 0.367 21.618 -3.679 1.00 4.45 H new ATOM 0 HG13 ILE A 60 1.794 20.789 -3.090 1.00 4.45 H new ATOM 0 HG21 ILE A 60 -0.841 22.319 -0.946 1.00 5.42 H new ATOM 0 HG22 ILE A 60 0.031 23.849 -0.687 1.00 5.42 H new ATOM 0 HG23 ILE A 60 -0.667 23.481 -2.282 1.00 5.42 H new ATOM 0 HD11 ILE A 60 -0.182 19.356 -2.927 1.00 54.23 H new ATOM 0 HD12 ILE A 60 0.457 19.726 -1.307 1.00 54.23 H new ATOM 0 HD13 ILE A 60 -0.992 20.568 -1.906 1.00 54.23 H new ATOM 940 N ALA A 61 1.650 25.500 -1.316 1.00 35.12 N ATOM 941 CA ALA A 61 1.909 26.567 -0.357 1.00 50.14 C ATOM 942 C ALA A 61 1.076 26.384 0.907 1.00 63.11 C ATOM 943 O ALA A 61 -0.120 26.099 0.839 1.00 52.32 O ATOM 944 CB ALA A 61 1.625 27.923 -0.987 1.00 73.32 C ATOM 0 H ALA A 61 0.808 25.632 -1.876 1.00 35.12 H new ATOM 0 HA ALA A 61 2.961 26.522 -0.076 1.00 50.14 H new ATOM 0 HB1 ALA A 61 1.823 28.711 -0.260 1.00 73.32 H new ATOM 0 HB2 ALA A 61 2.268 28.062 -1.856 1.00 73.32 H new ATOM 0 HB3 ALA A 61 0.581 27.969 -1.297 1.00 73.32 H new ATOM 950 N LEU A 62 1.716 26.548 2.060 1.00 72.14 N ATOM 951 CA LEU A 62 1.034 26.400 3.341 1.00 72.03 C ATOM 952 C LEU A 62 1.750 27.187 4.433 1.00 2.41 C ATOM 953 O LEU A 62 2.972 27.119 4.561 1.00 22.44 O ATOM 954 CB LEU A 62 0.953 24.923 3.730 1.00 22.13 C ATOM 955 CG LEU A 62 2.273 24.150 3.709 1.00 15.22 C ATOM 956 CD1 LEU A 62 2.902 24.131 5.093 1.00 30.14 C ATOM 957 CD2 LEU A 62 2.052 22.733 3.202 1.00 63.34 C ATOM 0 H LEU A 62 2.706 26.783 2.134 1.00 72.14 H new ATOM 0 HA LEU A 62 0.025 26.797 3.235 1.00 72.03 H new ATOM 0 HB2 LEU A 62 0.531 24.855 4.733 1.00 22.13 H new ATOM 0 HB3 LEU A 62 0.254 24.428 3.055 1.00 22.13 H new ATOM 0 HG LEU A 62 2.958 24.656 3.028 1.00 15.22 H new ATOM 0 HD11 LEU A 62 3.840 23.577 5.059 1.00 30.14 H new ATOM 0 HD12 LEU A 62 3.096 25.153 5.419 1.00 30.14 H new ATOM 0 HD13 LEU A 62 2.222 23.649 5.795 1.00 30.14 H new ATOM 0 HD21 LEU A 62 3.001 22.197 3.194 1.00 63.34 H new ATOM 0 HD22 LEU A 62 1.350 22.217 3.857 1.00 63.34 H new ATOM 0 HD23 LEU A 62 1.646 22.767 2.191 1.00 63.34 H new ATOM 969 N MET A 63 0.981 27.933 5.219 1.00 13.31 N ATOM 970 CA MET A 63 1.542 28.731 6.303 1.00 1.11 C ATOM 971 C MET A 63 1.976 27.842 7.464 1.00 64.21 C ATOM 972 O MET A 63 1.900 26.617 7.382 1.00 23.31 O ATOM 973 CB MET A 63 0.521 29.761 6.789 1.00 54.11 C ATOM 974 CG MET A 63 0.345 30.937 5.841 1.00 22.42 C ATOM 975 SD MET A 63 1.710 32.111 5.931 1.00 2.24 S ATOM 976 CE MET A 63 2.155 32.247 4.202 1.00 54.24 C ATOM 0 H MET A 63 -0.032 28.002 5.126 1.00 13.31 H new ATOM 0 HA MET A 63 2.419 29.253 5.920 1.00 1.11 H new ATOM 0 HB2 MET A 63 -0.442 29.269 6.927 1.00 54.11 H new ATOM 0 HB3 MET A 63 0.831 30.135 7.765 1.00 54.11 H new ATOM 0 HG2 MET A 63 0.257 30.566 4.820 1.00 22.42 H new ATOM 0 HG3 MET A 63 -0.587 31.451 6.075 1.00 22.42 H new ATOM 0 HE1 MET A 63 2.989 32.941 4.094 1.00 54.24 H new ATOM 0 HE2 MET A 63 2.447 31.268 3.823 1.00 54.24 H new ATOM 0 HE3 MET A 63 1.301 32.615 3.634 1.00 54.24 H new ATOM 986 N GLY A 64 2.433 28.468 8.545 1.00 74.41 N ATOM 987 CA GLY A 64 2.873 27.717 9.706 1.00 35.03 C ATOM 988 C GLY A 64 1.837 26.714 10.174 1.00 22.35 C ATOM 989 O GLY A 64 0.648 26.861 9.895 1.00 44.44 O ATOM 0 H GLY A 64 2.506 29.481 8.637 1.00 74.41 H new ATOM 0 HA2 GLY A 64 3.799 27.194 9.467 1.00 35.03 H new ATOM 0 HA3 GLY A 64 3.098 28.408 10.518 1.00 35.03 H new ATOM 993 N GLY A 65 2.290 25.688 10.889 1.00 30.20 N ATOM 994 CA GLY A 65 1.381 24.670 11.384 1.00 65.02 C ATOM 995 C GLY A 65 2.111 23.474 11.963 1.00 73.24 C ATOM 996 O GLY A 65 3.329 23.506 12.140 1.00 54.13 O ATOM 0 H GLY A 65 3.270 25.544 11.134 1.00 30.20 H new ATOM 0 HA2 GLY A 65 0.736 25.103 12.149 1.00 65.02 H new ATOM 0 HA3 GLY A 65 0.734 24.339 10.572 1.00 65.02 H new ATOM 1000 N PHE A 66 1.365 22.415 12.260 1.00 54.10 N ATOM 1001 CA PHE A 66 1.947 21.204 12.825 1.00 22.40 C ATOM 1002 C PHE A 66 1.603 19.986 11.972 1.00 21.35 C ATOM 1003 O PHE A 66 0.522 19.908 11.390 1.00 41.33 O ATOM 1004 CB PHE A 66 1.452 20.994 14.257 1.00 34.04 C ATOM 1005 CG PHE A 66 2.033 21.969 15.241 1.00 31.54 C ATOM 1006 CD1 PHE A 66 1.625 23.293 15.249 1.00 72.42 C ATOM 1007 CD2 PHE A 66 2.988 21.561 16.159 1.00 72.42 C ATOM 1008 CE1 PHE A 66 2.157 24.192 16.153 1.00 24.02 C ATOM 1009 CE2 PHE A 66 3.524 22.455 17.066 1.00 55.21 C ATOM 1010 CZ PHE A 66 3.109 23.773 17.062 1.00 32.23 C ATOM 0 H PHE A 66 0.356 22.371 12.119 1.00 54.10 H new ATOM 0 HA PHE A 66 3.030 21.323 12.837 1.00 22.40 H new ATOM 0 HB2 PHE A 66 0.365 21.078 14.273 1.00 34.04 H new ATOM 0 HB3 PHE A 66 1.698 19.980 14.573 1.00 34.04 H new ATOM 0 HD1 PHE A 66 0.882 23.626 14.540 1.00 72.42 H new ATOM 0 HD2 PHE A 66 3.317 20.532 16.165 1.00 72.42 H new ATOM 0 HE1 PHE A 66 1.829 25.221 16.149 1.00 24.02 H new ATOM 0 HE2 PHE A 66 4.266 22.124 17.777 1.00 55.21 H new ATOM 0 HZ PHE A 66 3.528 24.474 17.768 1.00 32.23 H new ATOM 1020 N ALA A 67 2.531 19.037 11.905 1.00 43.14 N ATOM 1021 CA ALA A 67 2.327 17.822 11.125 1.00 13.42 C ATOM 1022 C ALA A 67 2.425 16.582 12.006 1.00 32.33 C ATOM 1023 O ALA A 67 3.261 16.513 12.906 1.00 3.51 O ATOM 1024 CB ALA A 67 3.337 17.747 9.990 1.00 1.31 C ATOM 0 H ALA A 67 3.432 19.086 12.381 1.00 43.14 H new ATOM 0 HA ALA A 67 1.323 17.856 10.701 1.00 13.42 H new ATOM 0 HB1 ALA A 67 3.173 16.835 9.416 1.00 1.31 H new ATOM 0 HB2 ALA A 67 3.217 18.612 9.338 1.00 1.31 H new ATOM 0 HB3 ALA A 67 4.346 17.740 10.401 1.00 1.31 H new ATOM 1030 N GLU A 68 1.564 15.604 11.741 1.00 22.34 N ATOM 1031 CA GLU A 68 1.554 14.366 12.512 1.00 2.25 C ATOM 1032 C GLU A 68 1.424 13.154 11.594 1.00 13.25 C ATOM 1033 O GLU A 68 0.388 12.950 10.961 1.00 60.30 O ATOM 1034 CB GLU A 68 0.407 14.379 13.525 1.00 53.14 C ATOM 1035 CG GLU A 68 0.711 13.610 14.799 1.00 11.55 C ATOM 1036 CD GLU A 68 0.074 12.235 14.817 1.00 33.44 C ATOM 1037 OE1 GLU A 68 -0.145 11.667 13.727 1.00 53.32 O ATOM 1038 OE2 GLU A 68 -0.206 11.725 15.923 1.00 43.30 O ATOM 0 H GLU A 68 0.865 15.645 10.999 1.00 22.34 H new ATOM 0 HA GLU A 68 2.501 14.294 13.047 1.00 2.25 H new ATOM 0 HB2 GLU A 68 0.172 15.412 13.782 1.00 53.14 H new ATOM 0 HB3 GLU A 68 -0.483 13.956 13.059 1.00 53.14 H new ATOM 0 HG2 GLU A 68 1.791 13.507 14.908 1.00 11.55 H new ATOM 0 HG3 GLU A 68 0.357 14.181 15.657 1.00 11.55 H new ATOM 1045 N VAL A 69 2.482 12.353 11.528 1.00 43.14 N ATOM 1046 CA VAL A 69 2.487 11.161 10.688 1.00 2.01 C ATOM 1047 C VAL A 69 2.370 9.895 11.530 1.00 4.51 C ATOM 1048 O VAL A 69 2.914 9.819 12.632 1.00 53.25 O ATOM 1049 CB VAL A 69 3.767 11.081 9.835 1.00 60.50 C ATOM 1050 CG1 VAL A 69 4.947 10.632 10.683 1.00 2.24 C ATOM 1051 CG2 VAL A 69 3.562 10.143 8.655 1.00 52.25 C ATOM 0 H VAL A 69 3.347 12.508 12.046 1.00 43.14 H new ATOM 0 HA VAL A 69 1.623 11.235 10.027 1.00 2.01 H new ATOM 0 HB VAL A 69 3.987 12.076 9.447 1.00 60.50 H new ATOM 0 HG11 VAL A 69 5.842 10.581 10.063 1.00 2.24 H new ATOM 0 HG12 VAL A 69 5.106 11.345 11.492 1.00 2.24 H new ATOM 0 HG13 VAL A 69 4.740 9.647 11.102 1.00 2.24 H new ATOM 0 HG21 VAL A 69 4.476 10.098 8.063 1.00 52.25 H new ATOM 0 HG22 VAL A 69 3.317 9.146 9.021 1.00 52.25 H new ATOM 0 HG23 VAL A 69 2.745 10.512 8.034 1.00 52.25 H new ATOM 1061 N GLU A 70 1.658 8.904 11.003 1.00 1.34 N ATOM 1062 CA GLU A 70 1.470 7.641 11.708 1.00 41.43 C ATOM 1063 C GLU A 70 0.785 6.615 10.810 1.00 33.25 C ATOM 1064 O GLU A 70 -0.275 6.879 10.245 1.00 35.31 O ATOM 1065 CB GLU A 70 0.644 7.858 12.977 1.00 13.11 C ATOM 1066 CG GLU A 70 -0.623 8.665 12.748 1.00 11.33 C ATOM 1067 CD GLU A 70 -1.385 8.931 14.032 1.00 53.20 C ATOM 1068 OE1 GLU A 70 -0.745 8.970 15.104 1.00 54.12 O ATOM 1069 OE2 GLU A 70 -2.621 9.100 13.965 1.00 24.01 O ATOM 0 H GLU A 70 1.202 8.951 10.092 1.00 1.34 H new ATOM 0 HA GLU A 70 2.452 7.258 11.985 1.00 41.43 H new ATOM 0 HB2 GLU A 70 0.376 6.888 13.396 1.00 13.11 H new ATOM 0 HB3 GLU A 70 1.260 8.367 13.719 1.00 13.11 H new ATOM 0 HG2 GLU A 70 -0.365 9.615 12.280 1.00 11.33 H new ATOM 0 HG3 GLU A 70 -1.269 8.131 12.051 1.00 11.33 H new ATOM 1076 N ASN A 71 1.400 5.443 10.685 1.00 15.21 N ATOM 1077 CA ASN A 71 0.850 4.377 9.856 1.00 61.40 C ATOM 1078 C ASN A 71 0.494 4.896 8.467 1.00 53.45 C ATOM 1079 O ASN A 71 -0.630 4.721 7.997 1.00 45.24 O ATOM 1080 CB ASN A 71 -0.389 3.773 10.520 1.00 30.12 C ATOM 1081 CG ASN A 71 -0.112 3.293 11.932 1.00 74.01 C ATOM 1082 OD1 ASN A 71 0.400 2.192 12.136 1.00 15.20 O ATOM 1083 ND2 ASN A 71 -0.451 4.119 12.915 1.00 52.44 N ATOM 0 H ASN A 71 2.279 5.208 11.147 1.00 15.21 H new ATOM 0 HA ASN A 71 1.611 3.604 9.751 1.00 61.40 H new ATOM 0 HB2 ASN A 71 -1.185 4.517 10.542 1.00 30.12 H new ATOM 0 HB3 ASN A 71 -0.749 2.938 9.919 1.00 30.12 H new ATOM 0 HD21 ASN A 71 -0.289 3.850 13.886 1.00 52.44 H new ATOM 0 HD22 ASN A 71 -0.873 5.022 12.699 1.00 52.44 H new ATOM 1090 N ASN A 72 1.459 5.536 7.815 1.00 42.25 N ATOM 1091 CA ASN A 72 1.248 6.082 6.479 1.00 74.24 C ATOM 1092 C ASN A 72 0.086 7.071 6.473 1.00 73.55 C ATOM 1093 O ASN A 72 -0.682 7.135 5.513 1.00 63.31 O ATOM 1094 CB ASN A 72 0.977 4.953 5.481 1.00 0.43 C ATOM 1095 CG ASN A 72 1.636 3.650 5.890 1.00 11.11 C ATOM 1096 OD1 ASN A 72 2.848 3.485 5.754 1.00 42.13 O ATOM 1097 ND2 ASN A 72 0.838 2.716 6.394 1.00 15.42 N ATOM 0 H ASN A 72 2.395 5.689 8.190 1.00 42.25 H new ATOM 0 HA ASN A 72 2.154 6.611 6.182 1.00 74.24 H new ATOM 0 HB2 ASN A 72 -0.099 4.801 5.392 1.00 0.43 H new ATOM 0 HB3 ASN A 72 1.340 5.247 4.496 1.00 0.43 H new ATOM 0 HD21 ASN A 72 1.225 1.819 6.686 1.00 15.42 H new ATOM 0 HD22 ASN A 72 -0.162 2.896 6.489 1.00 15.42 H new ATOM 1104 N GLU A 73 -0.036 7.839 7.550 1.00 3.33 N ATOM 1105 CA GLU A 73 -1.104 8.825 7.668 1.00 32.44 C ATOM 1106 C GLU A 73 -0.574 10.135 8.243 1.00 54.45 C ATOM 1107 O GLU A 73 -0.361 10.257 9.449 1.00 70.41 O ATOM 1108 CB GLU A 73 -2.230 8.285 8.554 1.00 42.44 C ATOM 1109 CG GLU A 73 -3.611 8.765 8.141 1.00 33.11 C ATOM 1110 CD GLU A 73 -4.721 8.091 8.925 1.00 62.13 C ATOM 1111 OE1 GLU A 73 -4.441 7.584 10.031 1.00 31.23 O ATOM 1112 OE2 GLU A 73 -5.868 8.070 8.432 1.00 41.21 O ATOM 0 H GLU A 73 0.591 7.798 8.353 1.00 3.33 H new ATOM 0 HA GLU A 73 -1.497 9.019 6.670 1.00 32.44 H new ATOM 0 HB2 GLU A 73 -2.210 7.195 8.529 1.00 42.44 H new ATOM 0 HB3 GLU A 73 -2.044 8.583 9.586 1.00 42.44 H new ATOM 0 HG2 GLU A 73 -3.674 9.844 8.283 1.00 33.11 H new ATOM 0 HG3 GLU A 73 -3.755 8.575 7.077 1.00 33.11 H new ATOM 1119 N VAL A 74 -0.363 11.115 7.369 1.00 74.11 N ATOM 1120 CA VAL A 74 0.141 12.417 7.788 1.00 52.34 C ATOM 1121 C VAL A 74 -0.978 13.452 7.830 1.00 0.03 C ATOM 1122 O VAL A 74 -1.854 13.473 6.965 1.00 63.23 O ATOM 1123 CB VAL A 74 1.252 12.918 6.846 1.00 25.23 C ATOM 1124 CG1 VAL A 74 2.306 13.689 7.626 1.00 11.35 C ATOM 1125 CG2 VAL A 74 1.880 11.752 6.096 1.00 13.43 C ATOM 0 H VAL A 74 -0.533 11.031 6.367 1.00 74.11 H new ATOM 0 HA VAL A 74 0.553 12.290 8.789 1.00 52.34 H new ATOM 0 HB VAL A 74 0.808 13.594 6.116 1.00 25.23 H new ATOM 0 HG11 VAL A 74 3.083 14.035 6.944 1.00 11.35 H new ATOM 0 HG12 VAL A 74 1.843 14.547 8.114 1.00 11.35 H new ATOM 0 HG13 VAL A 74 2.749 13.038 8.380 1.00 11.35 H new ATOM 0 HG21 VAL A 74 2.663 12.124 5.435 1.00 13.43 H new ATOM 0 HG22 VAL A 74 2.311 11.050 6.810 1.00 13.43 H new ATOM 0 HG23 VAL A 74 1.117 11.246 5.505 1.00 13.43 H new ATOM 1135 N THR A 75 -0.943 14.312 8.844 1.00 74.31 N ATOM 1136 CA THR A 75 -1.954 15.350 9.001 1.00 74.53 C ATOM 1137 C THR A 75 -1.314 16.728 9.113 1.00 11.34 C ATOM 1138 O THR A 75 -0.754 17.080 10.152 1.00 32.22 O ATOM 1139 CB THR A 75 -2.829 15.099 10.244 1.00 62.12 C ATOM 1140 OG1 THR A 75 -2.004 14.989 11.409 1.00 64.21 O ATOM 1141 CG2 THR A 75 -3.654 13.831 10.079 1.00 44.44 C ATOM 0 H THR A 75 -0.225 14.310 9.569 1.00 74.31 H new ATOM 0 HA THR A 75 -2.583 15.316 8.111 1.00 74.53 H new ATOM 0 HB THR A 75 -3.509 15.943 10.359 1.00 62.12 H new ATOM 0 HG1 THR A 75 -1.325 15.696 11.397 1.00 64.21 H new ATOM 0 HG21 THR A 75 -4.263 13.675 10.969 1.00 44.44 H new ATOM 0 HG22 THR A 75 -4.302 13.929 9.208 1.00 44.44 H new ATOM 0 HG23 THR A 75 -2.988 12.979 9.941 1.00 44.44 H new ATOM 1149 N ILE A 76 -1.401 17.505 8.039 1.00 1.41 N ATOM 1150 CA ILE A 76 -0.831 18.847 8.019 1.00 31.12 C ATOM 1151 C ILE A 76 -1.871 19.892 8.411 1.00 63.45 C ATOM 1152 O ILE A 76 -2.638 20.365 7.571 1.00 32.41 O ATOM 1153 CB ILE A 76 -0.265 19.197 6.631 1.00 41.55 C ATOM 1154 CG1 ILE A 76 0.635 18.069 6.123 1.00 4.30 C ATOM 1155 CG2 ILE A 76 0.502 20.510 6.687 1.00 24.03 C ATOM 1156 CD1 ILE A 76 1.828 17.800 7.014 1.00 15.24 C ATOM 0 H ILE A 76 -1.861 17.229 7.171 1.00 1.41 H new ATOM 0 HA ILE A 76 -0.019 18.856 8.746 1.00 31.12 H new ATOM 0 HB ILE A 76 -1.096 19.314 5.935 1.00 41.55 H new ATOM 0 HG12 ILE A 76 0.045 17.157 6.034 1.00 4.30 H new ATOM 0 HG13 ILE A 76 0.988 18.319 5.123 1.00 4.30 H new ATOM 0 HG21 ILE A 76 0.896 20.744 5.698 1.00 24.03 H new ATOM 0 HG22 ILE A 76 -0.166 21.308 7.009 1.00 24.03 H new ATOM 0 HG23 ILE A 76 1.327 20.420 7.394 1.00 24.03 H new ATOM 0 HD11 ILE A 76 2.421 16.989 6.593 1.00 15.24 H new ATOM 0 HD12 ILE A 76 2.440 18.699 7.083 1.00 15.24 H new ATOM 0 HD13 ILE A 76 1.483 17.518 8.009 1.00 15.24 H new ATOM 1168 N LEU A 77 -1.890 20.249 9.690 1.00 45.02 N ATOM 1169 CA LEU A 77 -2.834 21.240 10.193 1.00 1.34 C ATOM 1170 C LEU A 77 -2.211 22.633 10.198 1.00 73.32 C ATOM 1171 O LEU A 77 -1.629 23.061 11.194 1.00 23.33 O ATOM 1172 CB LEU A 77 -3.289 20.868 11.606 1.00 53.44 C ATOM 1173 CG LEU A 77 -4.557 21.561 12.106 1.00 33.02 C ATOM 1174 CD1 LEU A 77 -5.499 20.553 12.746 1.00 31.20 C ATOM 1175 CD2 LEU A 77 -4.208 22.667 13.091 1.00 25.23 C ATOM 0 H LEU A 77 -1.262 19.867 10.398 1.00 45.02 H new ATOM 0 HA LEU A 77 -3.699 21.251 9.530 1.00 1.34 H new ATOM 0 HB2 LEU A 77 -3.449 19.790 11.643 1.00 53.44 H new ATOM 0 HB3 LEU A 77 -2.478 21.094 12.299 1.00 53.44 H new ATOM 0 HG LEU A 77 -5.063 22.010 11.251 1.00 33.02 H new ATOM 0 HD11 LEU A 77 -6.396 21.064 13.096 1.00 31.20 H new ATOM 0 HD12 LEU A 77 -5.776 19.796 12.012 1.00 31.20 H new ATOM 0 HD13 LEU A 77 -5.001 20.075 13.590 1.00 31.20 H new ATOM 0 HD21 LEU A 77 -5.123 23.149 13.436 1.00 25.23 H new ATOM 0 HD22 LEU A 77 -3.678 22.241 13.943 1.00 25.23 H new ATOM 0 HD23 LEU A 77 -3.573 23.404 12.600 1.00 25.23 H new ATOM 1187 N VAL A 78 -2.340 23.337 9.078 1.00 72.45 N ATOM 1188 CA VAL A 78 -1.793 24.682 8.953 1.00 52.40 C ATOM 1189 C VAL A 78 -2.832 25.734 9.325 1.00 1.35 C ATOM 1190 O VAL A 78 -3.983 25.410 9.614 1.00 61.24 O ATOM 1191 CB VAL A 78 -1.293 24.955 7.522 1.00 71.31 C ATOM 1192 CG1 VAL A 78 -0.073 24.101 7.211 1.00 50.31 C ATOM 1193 CG2 VAL A 78 -2.403 24.701 6.513 1.00 62.22 C ATOM 0 H VAL A 78 -2.819 22.998 8.244 1.00 72.45 H new ATOM 0 HA VAL A 78 -0.951 24.746 9.642 1.00 52.40 H new ATOM 0 HB VAL A 78 -1.001 26.003 7.451 1.00 71.31 H new ATOM 0 HG11 VAL A 78 0.266 24.307 6.196 1.00 50.31 H new ATOM 0 HG12 VAL A 78 0.725 24.336 7.915 1.00 50.31 H new ATOM 0 HG13 VAL A 78 -0.335 23.047 7.299 1.00 50.31 H new ATOM 0 HG21 VAL A 78 -2.033 24.899 5.507 1.00 62.22 H new ATOM 0 HG22 VAL A 78 -2.727 23.663 6.583 1.00 62.22 H new ATOM 0 HG23 VAL A 78 -3.245 25.359 6.725 1.00 62.22 H new ATOM 1203 N ASN A 79 -2.417 26.997 9.317 1.00 63.11 N ATOM 1204 CA ASN A 79 -3.312 28.098 9.654 1.00 4.01 C ATOM 1205 C ASN A 79 -3.519 29.017 8.454 1.00 12.22 C ATOM 1206 O ASN A 79 -3.526 30.240 8.589 1.00 4.04 O ATOM 1207 CB ASN A 79 -2.750 28.897 10.832 1.00 44.14 C ATOM 1208 CG ASN A 79 -2.061 28.013 11.854 1.00 52.41 C ATOM 1209 OD1 ASN A 79 -0.915 28.258 12.231 1.00 14.54 O ATOM 1210 ND2 ASN A 79 -2.759 26.979 12.307 1.00 73.41 N ATOM 0 H ASN A 79 -1.467 27.283 9.081 1.00 63.11 H new ATOM 0 HA ASN A 79 -4.277 27.676 9.937 1.00 4.01 H new ATOM 0 HB2 ASN A 79 -2.042 29.638 10.460 1.00 44.14 H new ATOM 0 HB3 ASN A 79 -3.559 29.444 11.316 1.00 44.14 H new ATOM 0 HD21 ASN A 79 -2.348 26.349 12.996 1.00 73.41 H new ATOM 0 HD22 ASN A 79 -3.706 26.814 11.966 1.00 73.41 H new ATOM 1217 N GLY A 80 -3.689 28.419 7.279 1.00 33.42 N ATOM 1218 CA GLY A 80 -3.895 29.198 6.072 1.00 34.05 C ATOM 1219 C GLY A 80 -2.956 28.794 4.954 1.00 44.02 C ATOM 1220 O GLY A 80 -1.836 29.296 4.863 1.00 40.51 O ATOM 0 H GLY A 80 -3.688 27.408 7.141 1.00 33.42 H new ATOM 0 HA2 GLY A 80 -4.926 29.078 5.738 1.00 34.05 H new ATOM 0 HA3 GLY A 80 -3.753 30.255 6.297 1.00 34.05 H new ATOM 1224 N ALA A 81 -3.411 27.882 4.101 1.00 50.32 N ATOM 1225 CA ALA A 81 -2.603 27.411 2.983 1.00 51.33 C ATOM 1226 C ALA A 81 -3.241 27.784 1.649 1.00 51.51 C ATOM 1227 O ALA A 81 -4.322 28.370 1.611 1.00 54.43 O ATOM 1228 CB ALA A 81 -2.405 25.905 3.072 1.00 1.42 C ATOM 0 H ALA A 81 -4.335 27.455 4.163 1.00 50.32 H new ATOM 0 HA ALA A 81 -1.630 27.899 3.040 1.00 51.33 H new ATOM 0 HB1 ALA A 81 -1.800 25.567 2.231 1.00 1.42 H new ATOM 0 HB2 ALA A 81 -1.898 25.659 4.005 1.00 1.42 H new ATOM 0 HB3 ALA A 81 -3.375 25.408 3.044 1.00 1.42 H new ATOM 1234 N GLU A 82 -2.564 27.442 0.558 1.00 62.44 N ATOM 1235 CA GLU A 82 -3.065 27.743 -0.778 1.00 74.21 C ATOM 1236 C GLU A 82 -2.421 26.832 -1.819 1.00 41.44 C ATOM 1237 O GLU A 82 -1.248 26.476 -1.707 1.00 43.42 O ATOM 1238 CB GLU A 82 -2.797 29.208 -1.129 1.00 70.34 C ATOM 1239 CG GLU A 82 -1.385 29.664 -0.801 1.00 33.31 C ATOM 1240 CD GLU A 82 -0.708 30.351 -1.970 1.00 45.40 C ATOM 1241 OE1 GLU A 82 -0.229 29.643 -2.880 1.00 21.32 O ATOM 1242 OE2 GLU A 82 -0.656 31.599 -1.975 1.00 12.32 O ATOM 0 H GLU A 82 -1.667 26.956 0.573 1.00 62.44 H new ATOM 0 HA GLU A 82 -4.141 27.567 -0.783 1.00 74.21 H new ATOM 0 HB2 GLU A 82 -2.980 29.357 -2.193 1.00 70.34 H new ATOM 0 HB3 GLU A 82 -3.507 29.837 -0.592 1.00 70.34 H new ATOM 0 HG2 GLU A 82 -1.416 30.346 0.048 1.00 33.31 H new ATOM 0 HG3 GLU A 82 -0.790 28.803 -0.497 1.00 33.31 H new ATOM 1249 N ARG A 83 -3.197 26.459 -2.832 1.00 2.12 N ATOM 1250 CA ARG A 83 -2.703 25.589 -3.892 1.00 72.03 C ATOM 1251 C ARG A 83 -2.103 26.407 -5.032 1.00 2.33 C ATOM 1252 O ARG A 83 -2.654 27.432 -5.431 1.00 4.44 O ATOM 1253 CB ARG A 83 -3.834 24.706 -4.425 1.00 4.44 C ATOM 1254 CG ARG A 83 -4.031 23.425 -3.631 1.00 53.20 C ATOM 1255 CD ARG A 83 -4.034 22.204 -4.537 1.00 23.33 C ATOM 1256 NE ARG A 83 -4.524 21.013 -3.848 1.00 70.31 N ATOM 1257 CZ ARG A 83 -4.702 19.840 -4.445 1.00 73.43 C ATOM 1258 NH1 ARG A 83 -4.431 19.701 -5.736 1.00 34.02 N ATOM 1259 NH2 ARG A 83 -5.152 18.802 -3.751 1.00 61.02 N ATOM 0 H ARG A 83 -4.170 26.746 -2.941 1.00 2.12 H new ATOM 0 HA ARG A 83 -1.922 24.955 -3.472 1.00 72.03 H new ATOM 0 HB2 ARG A 83 -4.763 25.276 -4.416 1.00 4.44 H new ATOM 0 HB3 ARG A 83 -3.626 24.451 -5.464 1.00 4.44 H new ATOM 0 HG2 ARG A 83 -3.237 23.328 -2.891 1.00 53.20 H new ATOM 0 HG3 ARG A 83 -4.972 23.476 -3.084 1.00 53.20 H new ATOM 0 HD2 ARG A 83 -4.658 22.401 -5.409 1.00 23.33 H new ATOM 0 HD3 ARG A 83 -3.024 22.021 -4.903 1.00 23.33 H new ATOM 0 HE ARG A 83 -4.741 21.086 -2.854 1.00 70.31 H new ATOM 0 HH11 ARG A 83 -4.085 20.496 -6.273 1.00 34.02 H new ATOM 0 HH12 ARG A 83 -4.569 18.799 -6.192 1.00 34.02 H new ATOM 0 HH21 ARG A 83 -5.362 18.905 -2.758 1.00 61.02 H new ATOM 0 HH22 ARG A 83 -5.288 17.902 -4.211 1.00 61.02 H new ATOM 1273 N GLY A 84 -0.969 25.946 -5.551 1.00 42.51 N ATOM 1274 CA GLY A 84 -0.312 26.648 -6.639 1.00 31.13 C ATOM 1275 C GLY A 84 -1.174 26.725 -7.883 1.00 13.40 C ATOM 1276 O GLY A 84 -0.946 27.566 -8.753 1.00 71.32 O ATOM 0 H GLY A 84 -0.494 25.100 -5.238 1.00 42.51 H new ATOM 0 HA2 GLY A 84 -0.057 27.657 -6.315 1.00 31.13 H new ATOM 0 HA3 GLY A 84 0.624 26.144 -6.880 1.00 31.13 H new ATOM 1280 N ASP A 85 -2.166 25.846 -7.969 1.00 14.11 N ATOM 1281 CA ASP A 85 -3.066 25.818 -9.117 1.00 23.25 C ATOM 1282 C ASP A 85 -4.210 26.810 -8.935 1.00 32.14 C ATOM 1283 O ASP A 85 -4.785 27.297 -9.909 1.00 12.24 O ATOM 1284 CB ASP A 85 -3.624 24.408 -9.320 1.00 4.33 C ATOM 1285 CG ASP A 85 -3.460 23.921 -10.746 1.00 23.22 C ATOM 1286 OD1 ASP A 85 -4.050 24.540 -11.656 1.00 65.23 O ATOM 1287 OD2 ASP A 85 -2.741 22.921 -10.952 1.00 21.34 O ATOM 0 H ASP A 85 -2.368 25.143 -7.258 1.00 14.11 H new ATOM 0 HA ASP A 85 -2.497 26.106 -10.001 1.00 23.25 H new ATOM 0 HB2 ASP A 85 -3.118 23.719 -8.643 1.00 4.33 H new ATOM 0 HB3 ASP A 85 -4.681 24.397 -9.055 1.00 4.33 H new ATOM 1292 N THR A 86 -4.537 27.105 -7.680 1.00 75.23 N ATOM 1293 CA THR A 86 -5.614 28.037 -7.370 1.00 74.52 C ATOM 1294 C THR A 86 -5.074 29.441 -7.127 1.00 65.14 C ATOM 1295 O THR A 86 -5.620 30.196 -6.323 1.00 54.22 O ATOM 1296 CB THR A 86 -6.410 27.584 -6.131 1.00 63.32 C ATOM 1297 OG1 THR A 86 -6.324 26.162 -5.987 1.00 22.33 O ATOM 1298 CG2 THR A 86 -7.869 28.000 -6.243 1.00 23.11 C ATOM 0 H THR A 86 -4.071 26.712 -6.862 1.00 75.23 H new ATOM 0 HA THR A 86 -6.278 28.051 -8.234 1.00 74.52 H new ATOM 0 HB THR A 86 -5.978 28.065 -5.253 1.00 63.32 H new ATOM 0 HG1 THR A 86 -6.831 25.882 -5.196 1.00 22.33 H new ATOM 0 HG21 THR A 86 -8.411 27.669 -5.357 1.00 23.11 H new ATOM 0 HG22 THR A 86 -7.933 29.085 -6.323 1.00 23.11 H new ATOM 0 HG23 THR A 86 -8.310 27.544 -7.129 1.00 23.11 H new ATOM 1306 N ILE A 87 -3.998 29.785 -7.827 1.00 63.33 N ATOM 1307 CA ILE A 87 -3.385 31.100 -7.688 1.00 63.23 C ATOM 1308 C ILE A 87 -3.719 31.991 -8.880 1.00 21.13 C ATOM 1309 O ILE A 87 -3.652 31.558 -10.030 1.00 63.42 O ATOM 1310 CB ILE A 87 -1.854 30.996 -7.553 1.00 31.13 C ATOM 1311 CG1 ILE A 87 -1.241 30.460 -8.848 1.00 4.11 C ATOM 1312 CG2 ILE A 87 -1.486 30.103 -6.377 1.00 1.30 C ATOM 1313 CD1 ILE A 87 -0.737 31.546 -9.773 1.00 15.33 C ATOM 0 H ILE A 87 -3.533 29.171 -8.496 1.00 63.33 H new ATOM 0 HA ILE A 87 -3.793 31.544 -6.780 1.00 63.23 H new ATOM 0 HB ILE A 87 -1.452 31.992 -7.368 1.00 31.13 H new ATOM 0 HG12 ILE A 87 -0.415 29.793 -8.601 1.00 4.11 H new ATOM 0 HG13 ILE A 87 -1.987 29.863 -9.374 1.00 4.11 H new ATOM 0 HG21 ILE A 87 -0.401 30.039 -6.294 1.00 1.30 H new ATOM 0 HG22 ILE A 87 -1.896 30.523 -5.459 1.00 1.30 H new ATOM 0 HG23 ILE A 87 -1.897 29.106 -6.535 1.00 1.30 H new ATOM 0 HD11 ILE A 87 -0.316 31.093 -10.670 1.00 15.33 H new ATOM 0 HD12 ILE A 87 -1.564 32.200 -10.050 1.00 15.33 H new ATOM 0 HD13 ILE A 87 0.032 32.128 -9.265 1.00 15.33 H new ATOM 1325 N ASP A 88 -4.078 33.238 -8.596 1.00 45.13 N ATOM 1326 CA ASP A 88 -4.420 34.192 -9.645 1.00 4.43 C ATOM 1327 C ASP A 88 -3.531 35.430 -9.564 1.00 71.21 C ATOM 1328 O ASP A 88 -2.917 35.718 -8.536 1.00 74.33 O ATOM 1329 CB ASP A 88 -5.890 34.597 -9.535 1.00 54.32 C ATOM 1330 CG ASP A 88 -6.756 33.924 -10.582 1.00 21.52 C ATOM 1331 OD1 ASP A 88 -6.455 32.768 -10.945 1.00 61.51 O ATOM 1332 OD2 ASP A 88 -7.734 34.553 -11.038 1.00 63.41 O ATOM 0 H ASP A 88 -4.140 33.612 -7.649 1.00 45.13 H new ATOM 0 HA ASP A 88 -4.255 33.710 -10.609 1.00 4.43 H new ATOM 0 HB2 ASP A 88 -6.261 34.342 -8.542 1.00 54.32 H new ATOM 0 HB3 ASP A 88 -5.975 35.679 -9.638 1.00 54.32 H new ATOM 1337 N PRO A 89 -3.458 36.180 -10.674 1.00 34.22 N ATOM 1338 CA PRO A 89 -2.647 37.398 -10.754 1.00 51.11 C ATOM 1339 C PRO A 89 -3.217 38.531 -9.908 1.00 13.13 C ATOM 1340 O PRO A 89 -2.473 39.352 -9.373 1.00 12.34 O ATOM 1341 CB PRO A 89 -2.700 37.762 -12.240 1.00 62.00 C ATOM 1342 CG PRO A 89 -3.968 37.156 -12.734 1.00 22.42 C ATOM 1343 CD PRO A 89 -4.163 35.896 -11.935 1.00 52.53 C ATOM 0 HA PRO A 89 -1.637 37.241 -10.375 1.00 51.11 H new ATOM 0 HB2 PRO A 89 -2.696 38.843 -12.383 1.00 62.00 H new ATOM 0 HB3 PRO A 89 -1.837 37.366 -12.776 1.00 62.00 H new ATOM 0 HG2 PRO A 89 -4.806 37.839 -12.597 1.00 22.42 H new ATOM 0 HG3 PRO A 89 -3.907 36.937 -13.800 1.00 22.42 H new ATOM 0 HD2 PRO A 89 -5.219 35.686 -11.767 1.00 52.53 H new ATOM 0 HD3 PRO A 89 -3.743 35.028 -12.444 1.00 52.53 H new ATOM 1351 N GLN A 90 -4.541 38.568 -9.791 1.00 42.21 N ATOM 1352 CA GLN A 90 -5.210 39.602 -9.009 1.00 65.53 C ATOM 1353 C GLN A 90 -5.096 39.313 -7.516 1.00 1.40 C ATOM 1354 O GLN A 90 -5.065 40.232 -6.698 1.00 52.22 O ATOM 1355 CB GLN A 90 -6.682 39.702 -9.411 1.00 31.41 C ATOM 1356 CG GLN A 90 -6.904 40.410 -10.737 1.00 52.15 C ATOM 1357 CD GLN A 90 -7.047 41.911 -10.581 1.00 5.22 C ATOM 1358 OE1 GLN A 90 -7.148 42.424 -9.466 1.00 33.32 O ATOM 1359 NE2 GLN A 90 -7.054 42.625 -11.700 1.00 53.42 N ATOM 0 H GLN A 90 -5.171 37.895 -10.227 1.00 42.21 H new ATOM 0 HA GLN A 90 -4.720 40.553 -9.215 1.00 65.53 H new ATOM 0 HB2 GLN A 90 -7.103 38.698 -9.470 1.00 31.41 H new ATOM 0 HB3 GLN A 90 -7.228 40.231 -8.630 1.00 31.41 H new ATOM 0 HG2 GLN A 90 -6.068 40.196 -11.403 1.00 52.15 H new ATOM 0 HG3 GLN A 90 -7.800 40.011 -11.212 1.00 52.15 H new ATOM 0 HE21 GLN A 90 -6.968 42.159 -12.603 1.00 53.42 H new ATOM 0 HE22 GLN A 90 -7.146 43.640 -11.657 1.00 53.42 H new ATOM 1368 N GLU A 91 -5.034 38.032 -7.169 1.00 34.35 N ATOM 1369 CA GLU A 91 -4.926 37.624 -5.773 1.00 24.32 C ATOM 1370 C GLU A 91 -3.547 37.961 -5.213 1.00 44.52 C ATOM 1371 O GLU A 91 -3.429 38.590 -4.162 1.00 43.31 O ATOM 1372 CB GLU A 91 -5.190 36.123 -5.635 1.00 14.01 C ATOM 1373 CG GLU A 91 -5.702 35.719 -4.262 1.00 60.14 C ATOM 1374 CD GLU A 91 -7.089 36.259 -3.975 1.00 34.24 C ATOM 1375 OE1 GLU A 91 -7.936 36.236 -4.893 1.00 11.45 O ATOM 1376 OE2 GLU A 91 -7.329 36.704 -2.833 1.00 25.33 O ATOM 0 H GLU A 91 -5.057 37.259 -7.834 1.00 34.35 H new ATOM 0 HA GLU A 91 -5.676 38.172 -5.202 1.00 24.32 H new ATOM 0 HB2 GLU A 91 -5.917 35.820 -6.388 1.00 14.01 H new ATOM 0 HB3 GLU A 91 -4.269 35.580 -5.844 1.00 14.01 H new ATOM 0 HG2 GLU A 91 -5.717 34.632 -4.190 1.00 60.14 H new ATOM 0 HG3 GLU A 91 -5.011 36.079 -3.500 1.00 60.14 H new ATOM 1383 N ALA A 92 -2.506 37.538 -5.924 1.00 13.22 N ATOM 1384 CA ALA A 92 -1.136 37.796 -5.500 1.00 2.41 C ATOM 1385 C ALA A 92 -0.922 39.277 -5.205 1.00 51.34 C ATOM 1386 O ALA A 92 -0.265 39.636 -4.229 1.00 21.13 O ATOM 1387 CB ALA A 92 -0.156 37.321 -6.563 1.00 32.25 C ATOM 0 H ALA A 92 -2.586 37.015 -6.796 1.00 13.22 H new ATOM 0 HA ALA A 92 -0.956 37.239 -4.580 1.00 2.41 H new ATOM 0 HB1 ALA A 92 0.864 37.520 -6.233 1.00 32.25 H new ATOM 0 HB2 ALA A 92 -0.283 36.250 -6.723 1.00 32.25 H new ATOM 0 HB3 ALA A 92 -0.345 37.852 -7.496 1.00 32.25 H new ATOM 1393 N GLN A 93 -1.481 40.132 -6.057 1.00 25.25 N ATOM 1394 CA GLN A 93 -1.349 41.574 -5.887 1.00 61.01 C ATOM 1395 C GLN A 93 -2.186 42.062 -4.709 1.00 44.32 C ATOM 1396 O GLN A 93 -1.817 43.020 -4.030 1.00 31.25 O ATOM 1397 CB GLN A 93 -1.773 42.300 -7.165 1.00 32.20 C ATOM 1398 CG GLN A 93 -0.606 42.854 -7.966 1.00 12.42 C ATOM 1399 CD GLN A 93 -0.873 44.249 -8.496 1.00 41.32 C ATOM 1400 OE1 GLN A 93 -1.222 45.157 -7.741 1.00 20.01 O ATOM 1401 NE2 GLN A 93 -0.709 44.428 -9.802 1.00 33.31 N ATOM 0 H GLN A 93 -2.029 39.851 -6.870 1.00 25.25 H new ATOM 0 HA GLN A 93 -0.302 41.796 -5.682 1.00 61.01 H new ATOM 0 HB2 GLN A 93 -2.340 41.612 -7.793 1.00 32.20 H new ATOM 0 HB3 GLN A 93 -2.444 43.118 -6.903 1.00 32.20 H new ATOM 0 HG2 GLN A 93 0.285 42.872 -7.338 1.00 12.42 H new ATOM 0 HG3 GLN A 93 -0.394 42.186 -8.801 1.00 12.42 H new ATOM 0 HE21 GLN A 93 -0.419 43.648 -10.391 1.00 33.31 H new ATOM 0 HE22 GLN A 93 -0.873 45.346 -10.216 1.00 33.31 H new ATOM 1410 N GLN A 94 -3.313 41.398 -4.474 1.00 65.04 N ATOM 1411 CA GLN A 94 -4.202 41.766 -3.379 1.00 24.01 C ATOM 1412 C GLN A 94 -3.538 41.509 -2.030 1.00 34.02 C ATOM 1413 O GLN A 94 -3.445 42.405 -1.190 1.00 50.34 O ATOM 1414 CB GLN A 94 -5.513 40.984 -3.473 1.00 63.34 C ATOM 1415 CG GLN A 94 -6.676 41.659 -2.765 1.00 72.41 C ATOM 1416 CD GLN A 94 -7.756 42.119 -3.725 1.00 23.02 C ATOM 1417 OE1 GLN A 94 -8.704 41.387 -4.008 1.00 34.32 O ATOM 1418 NE2 GLN A 94 -7.617 43.339 -4.231 1.00 60.43 N ATOM 0 H GLN A 94 -3.632 40.603 -5.027 1.00 65.04 H new ATOM 0 HA GLN A 94 -4.417 42.831 -3.461 1.00 24.01 H new ATOM 0 HB2 GLN A 94 -5.769 40.845 -4.523 1.00 63.34 H new ATOM 0 HB3 GLN A 94 -5.366 39.992 -3.047 1.00 63.34 H new ATOM 0 HG2 GLN A 94 -7.108 40.966 -2.043 1.00 72.41 H new ATOM 0 HG3 GLN A 94 -6.306 42.516 -2.203 1.00 72.41 H new ATOM 0 HE21 GLN A 94 -6.815 43.912 -3.968 1.00 60.43 H new ATOM 0 HE22 GLN A 94 -8.312 43.703 -4.882 1.00 60.43 H new ATOM 1427 N THR A 95 -3.079 40.278 -1.827 1.00 3.13 N ATOM 1428 CA THR A 95 -2.426 39.902 -0.579 1.00 44.32 C ATOM 1429 C THR A 95 -1.190 40.759 -0.326 1.00 32.42 C ATOM 1430 O THR A 95 -0.905 41.134 0.812 1.00 22.53 O ATOM 1431 CB THR A 95 -2.015 38.418 -0.585 1.00 61.21 C ATOM 1432 OG1 THR A 95 -1.335 38.093 0.633 1.00 72.34 O ATOM 1433 CG2 THR A 95 -1.115 38.110 -1.772 1.00 43.01 C ATOM 0 H THR A 95 -3.147 39.524 -2.511 1.00 3.13 H new ATOM 0 HA THR A 95 -3.150 40.067 0.219 1.00 44.32 H new ATOM 0 HB THR A 95 -2.919 37.814 -0.669 1.00 61.21 H new ATOM 0 HG1 THR A 95 -0.584 37.495 0.439 1.00 72.34 H new ATOM 0 HG21 THR A 95 -0.838 37.056 -1.755 1.00 43.01 H new ATOM 0 HG22 THR A 95 -1.646 38.330 -2.698 1.00 43.01 H new ATOM 0 HG23 THR A 95 -0.215 38.723 -1.715 1.00 43.01 H new ATOM 1441 N LEU A 96 -0.460 41.066 -1.392 1.00 72.23 N ATOM 1442 CA LEU A 96 0.746 41.880 -1.285 1.00 72.34 C ATOM 1443 C LEU A 96 0.396 43.336 -0.994 1.00 61.52 C ATOM 1444 O LEU A 96 1.119 44.025 -0.276 1.00 10.11 O ATOM 1445 CB LEU A 96 1.563 41.788 -2.575 1.00 72.34 C ATOM 1446 CG LEU A 96 2.919 42.493 -2.562 1.00 43.34 C ATOM 1447 CD1 LEU A 96 3.945 41.665 -1.804 1.00 72.34 C ATOM 1448 CD2 LEU A 96 3.394 42.763 -3.983 1.00 14.11 C ATOM 0 H LEU A 96 -0.682 40.764 -2.341 1.00 72.23 H new ATOM 0 HA LEU A 96 1.342 41.496 -0.457 1.00 72.34 H new ATOM 0 HB2 LEU A 96 1.726 40.735 -2.804 1.00 72.34 H new ATOM 0 HB3 LEU A 96 0.968 42.203 -3.389 1.00 72.34 H new ATOM 0 HG LEU A 96 2.804 43.449 -2.050 1.00 43.34 H new ATOM 0 HD11 LEU A 96 4.904 42.183 -1.806 1.00 72.34 H new ATOM 0 HD12 LEU A 96 3.611 41.524 -0.776 1.00 72.34 H new ATOM 0 HD13 LEU A 96 4.057 40.694 -2.286 1.00 72.34 H new ATOM 0 HD21 LEU A 96 4.361 43.265 -3.954 1.00 14.11 H new ATOM 0 HD22 LEU A 96 3.491 41.819 -4.520 1.00 14.11 H new ATOM 0 HD23 LEU A 96 2.670 43.398 -4.494 1.00 14.11 H new ATOM 1460 N GLU A 97 -0.718 43.795 -1.555 1.00 70.13 N ATOM 1461 CA GLU A 97 -1.164 45.169 -1.354 1.00 24.30 C ATOM 1462 C GLU A 97 -1.624 45.386 0.085 1.00 42.13 C ATOM 1463 O GLU A 97 -1.254 46.372 0.723 1.00 22.23 O ATOM 1464 CB GLU A 97 -2.300 45.507 -2.321 1.00 71.41 C ATOM 1465 CG GLU A 97 -1.824 46.105 -3.634 1.00 53.12 C ATOM 1466 CD GLU A 97 -2.926 46.838 -4.374 1.00 51.34 C ATOM 1467 OE1 GLU A 97 -3.128 48.039 -4.098 1.00 14.34 O ATOM 1468 OE2 GLU A 97 -3.586 46.212 -5.230 1.00 22.24 O ATOM 0 H GLU A 97 -1.328 43.236 -2.152 1.00 70.13 H new ATOM 0 HA GLU A 97 -0.320 45.830 -1.552 1.00 24.30 H new ATOM 0 HB2 GLU A 97 -2.870 44.602 -2.529 1.00 71.41 H new ATOM 0 HB3 GLU A 97 -2.981 46.208 -1.838 1.00 71.41 H new ATOM 0 HG2 GLU A 97 -1.002 46.794 -3.439 1.00 53.12 H new ATOM 0 HG3 GLU A 97 -1.431 45.311 -4.269 1.00 53.12 H new ATOM 1475 N ILE A 98 -2.433 44.460 0.587 1.00 23.52 N ATOM 1476 CA ILE A 98 -2.943 44.549 1.950 1.00 40.24 C ATOM 1477 C ILE A 98 -1.811 44.465 2.967 1.00 24.34 C ATOM 1478 O ILE A 98 -1.734 45.271 3.894 1.00 30.42 O ATOM 1479 CB ILE A 98 -3.965 43.435 2.242 1.00 14.33 C ATOM 1480 CG1 ILE A 98 -5.133 43.513 1.257 1.00 52.03 C ATOM 1481 CG2 ILE A 98 -4.467 43.539 3.675 1.00 44.50 C ATOM 1482 CD1 ILE A 98 -6.013 42.283 1.264 1.00 31.31 C ATOM 0 H ILE A 98 -2.750 43.639 0.071 1.00 23.52 H new ATOM 0 HA ILE A 98 -3.437 45.516 2.040 1.00 40.24 H new ATOM 0 HB ILE A 98 -3.473 42.470 2.118 1.00 14.33 H new ATOM 0 HG12 ILE A 98 -5.741 44.386 1.495 1.00 52.03 H new ATOM 0 HG13 ILE A 98 -4.740 43.663 0.251 1.00 52.03 H new ATOM 0 HG21 ILE A 98 -5.189 42.745 3.866 1.00 44.50 H new ATOM 0 HG22 ILE A 98 -3.627 43.440 4.363 1.00 44.50 H new ATOM 0 HG23 ILE A 98 -4.945 44.507 3.824 1.00 44.50 H new ATOM 0 HD11 ILE A 98 -6.820 42.409 0.542 1.00 31.31 H new ATOM 0 HD12 ILE A 98 -5.419 41.409 0.996 1.00 31.31 H new ATOM 0 HD13 ILE A 98 -6.435 42.143 2.259 1.00 31.31 H new ATOM 1494 N ALA A 99 -0.932 43.484 2.787 1.00 40.13 N ATOM 1495 CA ALA A 99 0.199 43.296 3.687 1.00 41.42 C ATOM 1496 C ALA A 99 1.084 44.538 3.722 1.00 22.45 C ATOM 1497 O ALA A 99 1.417 45.042 4.794 1.00 4.21 O ATOM 1498 CB ALA A 99 1.010 42.079 3.268 1.00 3.12 C ATOM 0 H ALA A 99 -0.982 42.807 2.026 1.00 40.13 H new ATOM 0 HA ALA A 99 -0.190 43.131 4.692 1.00 41.42 H new ATOM 0 HB1 ALA A 99 1.851 41.951 3.949 1.00 3.12 H new ATOM 0 HB2 ALA A 99 0.378 41.192 3.301 1.00 3.12 H new ATOM 0 HB3 ALA A 99 1.383 42.222 2.254 1.00 3.12 H new ATOM 1504 N GLU A 100 1.462 45.024 2.544 1.00 33.22 N ATOM 1505 CA GLU A 100 2.310 46.206 2.442 1.00 31.54 C ATOM 1506 C GLU A 100 1.613 47.428 3.032 1.00 15.10 C ATOM 1507 O GLU A 100 2.227 48.225 3.740 1.00 21.25 O ATOM 1508 CB GLU A 100 2.680 46.471 0.982 1.00 71.24 C ATOM 1509 CG GLU A 100 3.829 47.451 0.813 1.00 15.10 C ATOM 1510 CD GLU A 100 5.150 46.760 0.541 1.00 25.45 C ATOM 1511 OE1 GLU A 100 5.367 45.659 1.091 1.00 44.03 O ATOM 1512 OE2 GLU A 100 5.968 47.318 -0.219 1.00 53.44 O ATOM 0 H GLU A 100 1.195 44.618 1.647 1.00 33.22 H new ATOM 0 HA GLU A 100 3.220 46.019 3.011 1.00 31.54 H new ATOM 0 HB2 GLU A 100 2.946 45.527 0.506 1.00 71.24 H new ATOM 0 HB3 GLU A 100 1.805 46.856 0.459 1.00 71.24 H new ATOM 0 HG2 GLU A 100 3.603 48.131 -0.008 1.00 15.10 H new ATOM 0 HG3 GLU A 100 3.919 48.058 1.714 1.00 15.10 H new ATOM 1519 N ALA A 101 0.325 47.569 2.733 1.00 3.22 N ATOM 1520 CA ALA A 101 -0.457 48.693 3.234 1.00 65.20 C ATOM 1521 C ALA A 101 -0.500 48.695 4.758 1.00 14.13 C ATOM 1522 O ALA A 101 -0.258 49.720 5.394 1.00 55.11 O ATOM 1523 CB ALA A 101 -1.866 48.651 2.664 1.00 75.35 C ATOM 0 H ALA A 101 -0.198 46.919 2.147 1.00 3.22 H new ATOM 0 HA ALA A 101 0.027 49.614 2.909 1.00 65.20 H new ATOM 0 HB1 ALA A 101 -2.439 49.496 3.047 1.00 75.35 H new ATOM 0 HB2 ALA A 101 -1.820 48.706 1.576 1.00 75.35 H new ATOM 0 HB3 ALA A 101 -2.351 47.721 2.960 1.00 75.35 H new ATOM 1529 N ASN A 102 -0.811 47.540 5.338 1.00 15.44 N ATOM 1530 CA ASN A 102 -0.888 47.410 6.789 1.00 53.20 C ATOM 1531 C ASN A 102 0.472 47.666 7.431 1.00 71.11 C ATOM 1532 O ASN A 102 0.576 48.384 8.426 1.00 31.24 O ATOM 1533 CB ASN A 102 -1.391 46.016 7.171 1.00 51.52 C ATOM 1534 CG ASN A 102 -2.864 45.829 6.864 1.00 14.32 C ATOM 1535 OD1 ASN A 102 -3.381 46.374 5.888 1.00 0.05 O ATOM 1536 ND2 ASN A 102 -3.549 45.056 7.699 1.00 23.21 N ATOM 0 H ASN A 102 -1.014 46.681 4.826 1.00 15.44 H new ATOM 0 HA ASN A 102 -1.591 48.157 7.159 1.00 53.20 H new ATOM 0 HB2 ASN A 102 -0.812 45.264 6.634 1.00 51.52 H new ATOM 0 HB3 ASN A 102 -1.220 45.850 8.235 1.00 51.52 H new ATOM 0 HD21 ASN A 102 -4.544 44.894 7.544 1.00 23.21 H new ATOM 0 HD22 ASN A 102 -3.080 44.624 8.495 1.00 23.21 H new ATOM 1543 N LEU A 103 1.512 47.074 6.854 1.00 4.54 N ATOM 1544 CA LEU A 103 2.867 47.238 7.369 1.00 5.22 C ATOM 1545 C LEU A 103 3.326 48.688 7.244 1.00 62.51 C ATOM 1546 O LEU A 103 4.156 49.156 8.024 1.00 53.03 O ATOM 1547 CB LEU A 103 3.833 46.319 6.620 1.00 65.03 C ATOM 1548 CG LEU A 103 5.223 46.160 7.237 1.00 65.34 C ATOM 1549 CD1 LEU A 103 5.239 45.004 8.225 1.00 5.33 C ATOM 1550 CD2 LEU A 103 6.268 45.949 6.150 1.00 2.14 C ATOM 0 H LEU A 103 1.443 46.477 6.030 1.00 4.54 H new ATOM 0 HA LEU A 103 2.863 46.968 8.425 1.00 5.22 H new ATOM 0 HB2 LEU A 103 3.377 45.332 6.542 1.00 65.03 H new ATOM 0 HB3 LEU A 103 3.949 46.698 5.605 1.00 65.03 H new ATOM 0 HG LEU A 103 5.467 47.075 7.776 1.00 65.34 H new ATOM 0 HD11 LEU A 103 6.236 44.906 8.654 1.00 5.33 H new ATOM 0 HD12 LEU A 103 4.519 45.195 9.021 1.00 5.33 H new ATOM 0 HD13 LEU A 103 4.973 44.081 7.709 1.00 5.33 H new ATOM 0 HD21 LEU A 103 7.251 45.838 6.607 1.00 2.14 H new ATOM 0 HD22 LEU A 103 6.027 45.049 5.584 1.00 2.14 H new ATOM 0 HD23 LEU A 103 6.275 46.809 5.480 1.00 2.14 H new ATOM 1562 N ARG A 104 2.779 49.393 6.259 1.00 23.22 N ATOM 1563 CA ARG A 104 3.132 50.789 6.033 1.00 54.25 C ATOM 1564 C ARG A 104 2.976 51.604 7.313 1.00 14.02 C ATOM 1565 O ARG A 104 3.679 52.593 7.523 1.00 61.51 O ATOM 1566 CB ARG A 104 2.258 51.385 4.927 1.00 70.21 C ATOM 1567 CG ARG A 104 2.773 52.711 4.392 1.00 71.13 C ATOM 1568 CD ARG A 104 3.013 52.651 2.891 1.00 23.54 C ATOM 1569 NE ARG A 104 2.644 53.898 2.227 1.00 25.23 N ATOM 1570 CZ ARG A 104 1.392 54.235 1.939 1.00 22.42 C ATOM 1571 NH1 ARG A 104 0.394 53.421 2.256 1.00 50.43 N ATOM 1572 NH2 ARG A 104 1.136 55.387 1.334 1.00 44.24 N ATOM 0 H ARG A 104 2.090 49.021 5.605 1.00 23.22 H new ATOM 0 HA ARG A 104 4.176 50.828 5.723 1.00 54.25 H new ATOM 0 HB2 ARG A 104 2.191 50.673 4.105 1.00 70.21 H new ATOM 0 HB3 ARG A 104 1.247 51.525 5.310 1.00 70.21 H new ATOM 0 HG2 ARG A 104 2.054 53.499 4.615 1.00 71.13 H new ATOM 0 HG3 ARG A 104 3.701 52.974 4.900 1.00 71.13 H new ATOM 0 HD2 ARG A 104 4.065 52.436 2.700 1.00 23.54 H new ATOM 0 HD3 ARG A 104 2.438 51.829 2.465 1.00 23.54 H new ATOM 0 HE ARG A 104 3.389 54.546 1.970 1.00 25.23 H new ATOM 0 HH11 ARG A 104 0.587 52.534 2.722 1.00 50.43 H new ATOM 0 HH12 ARG A 104 -0.567 53.682 2.034 1.00 50.43 H new ATOM 0 HH21 ARG A 104 1.901 56.016 1.089 1.00 44.24 H new ATOM 0 HH22 ARG A 104 0.174 55.644 1.113 1.00 44.24 H new ATOM 1586 N LYS A 105 2.049 51.183 8.167 1.00 32.20 N ATOM 1587 CA LYS A 105 1.800 51.872 9.428 1.00 73.42 C ATOM 1588 C LYS A 105 2.168 50.986 10.614 1.00 71.23 C ATOM 1589 O LYS A 105 2.682 51.466 11.623 1.00 3.31 O ATOM 1590 CB LYS A 105 0.330 52.286 9.524 1.00 13.24 C ATOM 1591 CG LYS A 105 0.055 53.303 10.618 1.00 3.44 C ATOM 1592 CD LYS A 105 -0.246 52.628 11.946 1.00 64.54 C ATOM 1593 CE LYS A 105 -1.639 52.976 12.445 1.00 33.02 C ATOM 1594 NZ LYS A 105 -1.753 52.825 13.922 1.00 2.24 N ATOM 0 H LYS A 105 1.457 50.367 8.009 1.00 32.20 H new ATOM 0 HA LYS A 105 2.425 52.764 9.456 1.00 73.42 H new ATOM 0 HB2 LYS A 105 0.015 52.701 8.566 1.00 13.24 H new ATOM 0 HB3 LYS A 105 -0.278 51.399 9.703 1.00 13.24 H new ATOM 0 HG2 LYS A 105 0.918 53.960 10.730 1.00 3.44 H new ATOM 0 HG3 LYS A 105 -0.788 53.931 10.329 1.00 3.44 H new ATOM 0 HD2 LYS A 105 -0.158 51.547 11.834 1.00 64.54 H new ATOM 0 HD3 LYS A 105 0.494 52.933 12.686 1.00 64.54 H new ATOM 0 HE2 LYS A 105 -1.879 54.002 12.165 1.00 33.02 H new ATOM 0 HE3 LYS A 105 -2.371 52.333 11.957 1.00 33.02 H new ATOM 0 HZ1 LYS A 105 -2.718 53.072 14.223 1.00 2.24 H new ATOM 0 HZ2 LYS A 105 -1.549 51.840 14.187 1.00 2.24 H new ATOM 0 HZ3 LYS A 105 -1.072 53.458 14.389 1.00 2.24 H new ATOM 1608 N ALA A 106 1.902 49.690 10.484 1.00 44.13 N ATOM 1609 CA ALA A 106 2.209 48.737 11.543 1.00 3.42 C ATOM 1610 C ALA A 106 3.638 48.218 11.418 1.00 53.21 C ATOM 1611 O ALA A 106 4.419 48.715 10.607 1.00 33.21 O ATOM 1612 CB ALA A 106 1.221 47.581 11.516 1.00 60.14 C ATOM 0 H ALA A 106 1.474 49.276 9.655 1.00 44.13 H new ATOM 0 HA ALA A 106 2.120 49.253 12.499 1.00 3.42 H new ATOM 0 HB1 ALA A 106 1.463 46.877 12.312 1.00 60.14 H new ATOM 0 HB2 ALA A 106 0.211 47.962 11.663 1.00 60.14 H new ATOM 0 HB3 ALA A 106 1.281 47.074 10.553 1.00 60.14 H new ATOM 1618 N GLU A 107 3.972 47.217 12.226 1.00 13.12 N ATOM 1619 CA GLU A 107 5.307 46.633 12.206 1.00 65.45 C ATOM 1620 C GLU A 107 5.382 45.413 13.120 1.00 1.42 C ATOM 1621 O GLU A 107 5.765 45.520 14.284 1.00 22.34 O ATOM 1622 CB GLU A 107 6.349 47.669 12.633 1.00 14.22 C ATOM 1623 CG GLU A 107 7.776 47.149 12.597 1.00 52.20 C ATOM 1624 CD GLU A 107 8.666 47.952 11.669 1.00 50.54 C ATOM 1625 OE1 GLU A 107 8.420 47.929 10.444 1.00 30.24 O ATOM 1626 OE2 GLU A 107 9.608 48.604 12.166 1.00 50.13 O ATOM 0 H GLU A 107 3.336 46.794 12.902 1.00 13.12 H new ATOM 0 HA GLU A 107 5.520 46.314 11.186 1.00 65.45 H new ATOM 0 HB2 GLU A 107 6.272 48.539 11.981 1.00 14.22 H new ATOM 0 HB3 GLU A 107 6.120 48.007 13.644 1.00 14.22 H new ATOM 0 HG2 GLU A 107 8.193 47.172 13.604 1.00 52.20 H new ATOM 0 HG3 GLU A 107 7.771 46.107 12.278 1.00 52.20 H new ATOM 1633 N GLY A 108 5.012 44.255 12.583 1.00 21.55 N ATOM 1634 CA GLY A 108 5.043 43.032 13.364 1.00 23.34 C ATOM 1635 C GLY A 108 4.899 41.791 12.505 1.00 10.33 C ATOM 1636 O GLY A 108 4.022 41.723 11.645 1.00 34.51 O ATOM 0 H GLY A 108 4.691 44.142 11.621 1.00 21.55 H new ATOM 0 HA2 GLY A 108 5.981 42.981 13.916 1.00 23.34 H new ATOM 0 HA3 GLY A 108 4.240 43.055 14.101 1.00 23.34 H new ATOM 1640 N ALA A 109 5.763 40.809 12.737 1.00 24.23 N ATOM 1641 CA ALA A 109 5.728 39.565 11.978 1.00 31.02 C ATOM 1642 C ALA A 109 4.371 38.881 12.108 1.00 2.02 C ATOM 1643 O ALA A 109 3.843 38.339 11.137 1.00 1.21 O ATOM 1644 CB ALA A 109 6.838 38.633 12.441 1.00 73.43 C ATOM 0 H ALA A 109 6.496 40.851 13.445 1.00 24.23 H new ATOM 0 HA ALA A 109 5.885 39.805 10.926 1.00 31.02 H new ATOM 0 HB1 ALA A 109 6.800 37.708 11.866 1.00 73.43 H new ATOM 0 HB2 ALA A 109 7.804 39.115 12.290 1.00 73.43 H new ATOM 0 HB3 ALA A 109 6.706 38.408 13.499 1.00 73.43 H new ATOM 1650 N ARG A 110 3.813 38.909 13.314 1.00 53.22 N ATOM 1651 CA ARG A 110 2.518 38.290 13.571 1.00 61.13 C ATOM 1652 C ARG A 110 1.430 38.927 12.711 1.00 65.14 C ATOM 1653 O ARG A 110 0.515 38.247 12.247 1.00 24.23 O ATOM 1654 CB ARG A 110 2.153 38.417 15.051 1.00 54.23 C ATOM 1655 CG ARG A 110 1.886 37.084 15.729 1.00 33.51 C ATOM 1656 CD ARG A 110 2.244 37.128 17.206 1.00 13.43 C ATOM 1657 NE ARG A 110 1.214 36.511 18.038 1.00 62.20 N ATOM 1658 CZ ARG A 110 0.985 35.203 18.074 1.00 62.21 C ATOM 1659 NH1 ARG A 110 1.709 34.379 17.329 1.00 5.01 N ATOM 1660 NH2 ARG A 110 0.030 34.716 18.856 1.00 3.43 N ATOM 0 H ARG A 110 4.237 39.354 14.128 1.00 53.22 H new ATOM 0 HA ARG A 110 2.590 37.234 13.311 1.00 61.13 H new ATOM 0 HB2 ARG A 110 2.963 38.925 15.574 1.00 54.23 H new ATOM 0 HB3 ARG A 110 1.268 39.047 15.146 1.00 54.23 H new ATOM 0 HG2 ARG A 110 0.834 36.822 15.616 1.00 33.51 H new ATOM 0 HG3 ARG A 110 2.464 36.302 15.237 1.00 33.51 H new ATOM 0 HD2 ARG A 110 3.193 36.615 17.364 1.00 13.43 H new ATOM 0 HD3 ARG A 110 2.386 38.164 17.514 1.00 13.43 H new ATOM 0 HE ARG A 110 0.639 37.117 18.623 1.00 62.20 H new ATOM 0 HH11 ARG A 110 2.444 34.749 16.726 1.00 5.01 H new ATOM 0 HH12 ARG A 110 1.531 33.375 17.359 1.00 5.01 H new ATOM 0 HH21 ARG A 110 -0.530 35.346 19.431 1.00 3.43 H new ATOM 0 HH22 ARG A 110 -0.145 33.711 18.883 1.00 3.43 H new ATOM 1674 N GLN A 111 1.538 40.235 12.503 1.00 41.23 N ATOM 1675 CA GLN A 111 0.563 40.963 11.700 1.00 51.34 C ATOM 1676 C GLN A 111 0.517 40.420 10.275 1.00 14.21 C ATOM 1677 O GLN A 111 -0.559 40.187 9.723 1.00 44.14 O ATOM 1678 CB GLN A 111 0.900 42.455 11.679 1.00 41.25 C ATOM 1679 CG GLN A 111 -0.186 43.333 12.279 1.00 31.12 C ATOM 1680 CD GLN A 111 -1.505 43.218 11.540 1.00 64.01 C ATOM 1681 OE1 GLN A 111 -1.585 42.588 10.485 1.00 32.31 O ATOM 1682 NE2 GLN A 111 -2.548 43.828 12.091 1.00 64.13 N ATOM 0 H GLN A 111 2.290 40.812 12.879 1.00 41.23 H new ATOM 0 HA GLN A 111 -0.419 40.826 12.154 1.00 51.34 H new ATOM 0 HB2 GLN A 111 1.829 42.617 12.225 1.00 41.25 H new ATOM 0 HB3 GLN A 111 1.078 42.764 10.649 1.00 41.25 H new ATOM 0 HG2 GLN A 111 -0.334 43.058 13.323 1.00 31.12 H new ATOM 0 HG3 GLN A 111 0.144 44.372 12.266 1.00 31.12 H new ATOM 0 HE21 GLN A 111 -2.436 44.339 12.967 1.00 64.13 H new ATOM 0 HE22 GLN A 111 -3.461 43.785 11.639 1.00 64.13 H new ATOM 1691 N LYS A 112 1.690 40.221 9.685 1.00 62.02 N ATOM 1692 CA LYS A 112 1.785 39.704 8.325 1.00 41.54 C ATOM 1693 C LYS A 112 1.151 38.321 8.223 1.00 61.15 C ATOM 1694 O LYS A 112 0.386 38.045 7.298 1.00 44.35 O ATOM 1695 CB LYS A 112 3.249 39.640 7.882 1.00 12.25 C ATOM 1696 CG LYS A 112 3.450 39.917 6.403 1.00 72.55 C ATOM 1697 CD LYS A 112 3.573 41.405 6.125 1.00 54.41 C ATOM 1698 CE LYS A 112 4.185 41.669 4.758 1.00 70.23 C ATOM 1699 NZ LYS A 112 5.657 41.442 4.756 1.00 33.11 N ATOM 0 H LYS A 112 2.589 40.410 10.128 1.00 62.02 H new ATOM 0 HA LYS A 112 1.242 40.382 7.667 1.00 41.54 H new ATOM 0 HB2 LYS A 112 3.826 40.362 8.460 1.00 12.25 H new ATOM 0 HB3 LYS A 112 3.648 38.653 8.115 1.00 12.25 H new ATOM 0 HG2 LYS A 112 4.348 39.406 6.055 1.00 72.55 H new ATOM 0 HG3 LYS A 112 2.612 39.509 5.838 1.00 72.55 H new ATOM 0 HD2 LYS A 112 2.588 41.869 6.179 1.00 54.41 H new ATOM 0 HD3 LYS A 112 4.187 41.870 6.896 1.00 54.41 H new ATOM 0 HE2 LYS A 112 3.716 41.019 4.019 1.00 70.23 H new ATOM 0 HE3 LYS A 112 3.975 42.696 4.458 1.00 70.23 H new ATOM 0 HZ1 LYS A 112 6.056 41.761 3.850 1.00 33.11 H new ATOM 0 HZ2 LYS A 112 6.092 41.978 5.534 1.00 33.11 H new ATOM 0 HZ3 LYS A 112 5.852 40.428 4.883 1.00 33.11 H new ATOM 1713 N ILE A 113 1.472 37.456 9.179 1.00 64.15 N ATOM 1714 CA ILE A 113 0.932 36.102 9.197 1.00 53.44 C ATOM 1715 C ILE A 113 -0.582 36.118 9.377 1.00 34.31 C ATOM 1716 O ILE A 113 -1.295 35.302 8.793 1.00 23.10 O ATOM 1717 CB ILE A 113 1.563 35.259 10.320 1.00 31.10 C ATOM 1718 CG1 ILE A 113 3.088 35.264 10.196 1.00 11.53 C ATOM 1719 CG2 ILE A 113 1.028 33.835 10.278 1.00 52.40 C ATOM 1720 CD1 ILE A 113 3.793 34.642 11.381 1.00 35.31 C ATOM 0 H ILE A 113 2.103 37.669 9.951 1.00 64.15 H new ATOM 0 HA ILE A 113 1.177 35.651 8.235 1.00 53.44 H new ATOM 0 HB ILE A 113 1.294 35.700 11.280 1.00 31.10 H new ATOM 0 HG12 ILE A 113 3.373 34.727 9.291 1.00 11.53 H new ATOM 0 HG13 ILE A 113 3.431 36.292 10.078 1.00 11.53 H new ATOM 0 HG21 ILE A 113 1.484 33.251 11.078 1.00 52.40 H new ATOM 0 HG22 ILE A 113 -0.054 33.849 10.410 1.00 52.40 H new ATOM 0 HG23 ILE A 113 1.271 33.383 9.316 1.00 52.40 H new ATOM 0 HD11 ILE A 113 4.871 34.680 11.224 1.00 35.31 H new ATOM 0 HD12 ILE A 113 3.538 35.193 12.286 1.00 35.31 H new ATOM 0 HD13 ILE A 113 3.479 33.604 11.488 1.00 35.31 H new ATOM 1732 N GLU A 114 -1.067 37.053 10.189 1.00 62.43 N ATOM 1733 CA GLU A 114 -2.497 37.174 10.445 1.00 51.31 C ATOM 1734 C GLU A 114 -3.254 37.504 9.161 1.00 24.12 C ATOM 1735 O GLU A 114 -4.243 36.852 8.826 1.00 5.44 O ATOM 1736 CB GLU A 114 -2.759 38.255 11.496 1.00 34.21 C ATOM 1737 CG GLU A 114 -4.024 38.023 12.305 1.00 33.52 C ATOM 1738 CD GLU A 114 -3.774 37.204 13.557 1.00 50.10 C ATOM 1739 OE1 GLU A 114 -2.891 37.591 14.351 1.00 21.40 O ATOM 1740 OE2 GLU A 114 -4.460 36.178 13.743 1.00 74.35 O ATOM 0 H GLU A 114 -0.491 37.737 10.680 1.00 62.43 H new ATOM 0 HA GLU A 114 -2.855 36.216 10.821 1.00 51.31 H new ATOM 0 HB2 GLU A 114 -1.908 38.304 12.175 1.00 34.21 H new ATOM 0 HB3 GLU A 114 -2.827 39.223 11.000 1.00 34.21 H new ATOM 0 HG2 GLU A 114 -4.454 38.985 12.584 1.00 33.52 H new ATOM 0 HG3 GLU A 114 -4.760 37.514 11.683 1.00 33.52 H new ATOM 1747 N ALA A 115 -2.781 38.520 8.447 1.00 11.32 N ATOM 1748 CA ALA A 115 -3.411 38.936 7.200 1.00 10.13 C ATOM 1749 C ALA A 115 -3.500 37.775 6.216 1.00 30.53 C ATOM 1750 O ALA A 115 -4.583 37.431 5.744 1.00 64.31 O ATOM 1751 CB ALA A 115 -2.644 40.096 6.583 1.00 71.04 C ATOM 0 H ALA A 115 -1.964 39.070 8.711 1.00 11.32 H new ATOM 0 HA ALA A 115 -4.425 39.265 7.426 1.00 10.13 H new ATOM 0 HB1 ALA A 115 -3.125 40.396 5.652 1.00 71.04 H new ATOM 0 HB2 ALA A 115 -2.637 40.937 7.276 1.00 71.04 H new ATOM 0 HB3 ALA A 115 -1.619 39.786 6.378 1.00 71.04 H new ATOM 1757 N ASN A 116 -2.354 37.174 5.911 1.00 11.32 N ATOM 1758 CA ASN A 116 -2.303 36.052 4.982 1.00 71.43 C ATOM 1759 C ASN A 116 -3.248 34.937 5.422 1.00 4.43 C ATOM 1760 O ASN A 116 -3.951 34.345 4.603 1.00 33.32 O ATOM 1761 CB ASN A 116 -0.875 35.513 4.877 1.00 3.35 C ATOM 1762 CG ASN A 116 0.022 36.411 4.048 1.00 44.32 C ATOM 1763 OD1 ASN A 116 -0.177 37.625 3.991 1.00 70.24 O ATOM 1764 ND2 ASN A 116 1.017 35.817 3.399 1.00 22.02 N ATOM 0 H ASN A 116 -1.449 37.446 6.294 1.00 11.32 H new ATOM 0 HA ASN A 116 -2.622 36.410 4.003 1.00 71.43 H new ATOM 0 HB2 ASN A 116 -0.455 35.408 5.877 1.00 3.35 H new ATOM 0 HB3 ASN A 116 -0.897 34.517 4.434 1.00 3.35 H new ATOM 0 HD21 ASN A 116 1.653 36.370 2.825 1.00 22.02 H new ATOM 0 HD22 ASN A 116 1.145 34.808 3.475 1.00 22.02 H new ATOM 1771 N LEU A 117 -3.258 34.658 6.721 1.00 73.41 N ATOM 1772 CA LEU A 117 -4.117 33.615 7.272 1.00 61.22 C ATOM 1773 C LEU A 117 -5.579 33.870 6.919 1.00 63.14 C ATOM 1774 O LEU A 117 -6.322 32.942 6.602 1.00 32.23 O ATOM 1775 CB LEU A 117 -3.953 33.541 8.791 1.00 43.22 C ATOM 1776 CG LEU A 117 -5.017 32.742 9.543 1.00 33.21 C ATOM 1777 CD1 LEU A 117 -4.407 32.042 10.748 1.00 53.03 C ATOM 1778 CD2 LEU A 117 -6.161 33.649 9.973 1.00 4.24 C ATOM 0 H LEU A 117 -2.682 35.139 7.412 1.00 73.41 H new ATOM 0 HA LEU A 117 -3.817 32.663 6.833 1.00 61.22 H new ATOM 0 HB2 LEU A 117 -2.978 33.106 9.010 1.00 43.22 H new ATOM 0 HB3 LEU A 117 -3.944 34.557 9.185 1.00 43.22 H new ATOM 0 HG LEU A 117 -5.416 31.982 8.871 1.00 33.21 H new ATOM 0 HD11 LEU A 117 -5.180 31.478 11.271 1.00 53.03 H new ATOM 0 HD12 LEU A 117 -3.623 31.361 10.415 1.00 53.03 H new ATOM 0 HD13 LEU A 117 -3.980 32.784 11.423 1.00 53.03 H new ATOM 0 HD21 LEU A 117 -6.909 33.063 10.507 1.00 4.24 H new ATOM 0 HD22 LEU A 117 -5.778 34.432 10.628 1.00 4.24 H new ATOM 0 HD23 LEU A 117 -6.616 34.103 9.093 1.00 4.24 H new ATOM 1790 N ALA A 118 -5.983 35.135 6.973 1.00 31.30 N ATOM 1791 CA ALA A 118 -7.354 35.513 6.655 1.00 75.42 C ATOM 1792 C ALA A 118 -7.694 35.178 5.206 1.00 32.45 C ATOM 1793 O ALA A 118 -8.721 34.557 4.926 1.00 2.23 O ATOM 1794 CB ALA A 118 -7.568 36.996 6.920 1.00 73.53 C ATOM 0 H ALA A 118 -5.380 35.915 7.234 1.00 31.30 H new ATOM 0 HA ALA A 118 -8.021 34.940 7.299 1.00 75.42 H new ATOM 0 HB1 ALA A 118 -8.596 37.264 6.678 1.00 73.53 H new ATOM 0 HB2 ALA A 118 -7.375 37.209 7.971 1.00 73.53 H new ATOM 0 HB3 ALA A 118 -6.886 37.578 6.301 1.00 73.53 H new ATOM 1800 N LEU A 119 -6.827 35.592 4.289 1.00 12.23 N ATOM 1801 CA LEU A 119 -7.036 35.336 2.868 1.00 2.53 C ATOM 1802 C LEU A 119 -7.013 33.840 2.575 1.00 32.33 C ATOM 1803 O LEU A 119 -7.962 33.293 2.013 1.00 32.11 O ATOM 1804 CB LEU A 119 -5.964 36.046 2.040 1.00 42.25 C ATOM 1805 CG LEU A 119 -6.065 37.571 1.975 1.00 71.40 C ATOM 1806 CD1 LEU A 119 -4.862 38.155 1.252 1.00 50.44 C ATOM 1807 CD2 LEU A 119 -7.358 37.991 1.290 1.00 24.42 C ATOM 0 H LEU A 119 -5.973 36.106 4.504 1.00 12.23 H new ATOM 0 HA LEU A 119 -8.016 35.726 2.594 1.00 2.53 H new ATOM 0 HB2 LEU A 119 -4.987 35.784 2.446 1.00 42.25 H new ATOM 0 HB3 LEU A 119 -6.002 35.656 1.023 1.00 42.25 H new ATOM 0 HG LEU A 119 -6.074 37.959 2.993 1.00 71.40 H new ATOM 0 HD11 LEU A 119 -4.951 39.241 1.215 1.00 50.44 H new ATOM 0 HD12 LEU A 119 -3.950 37.884 1.784 1.00 50.44 H new ATOM 0 HD13 LEU A 119 -4.821 37.760 0.237 1.00 50.44 H new ATOM 0 HD21 LEU A 119 -7.413 39.079 1.253 1.00 24.42 H new ATOM 0 HD22 LEU A 119 -7.379 37.591 0.276 1.00 24.42 H new ATOM 0 HD23 LEU A 119 -8.209 37.604 1.850 1.00 24.42 H new ATOM 1819 N ARG A 120 -5.925 33.183 2.962 1.00 64.31 N ATOM 1820 CA ARG A 120 -5.779 31.749 2.742 1.00 70.14 C ATOM 1821 C ARG A 120 -6.970 30.987 3.315 1.00 31.03 C ATOM 1822 O ARG A 120 -7.516 30.091 2.670 1.00 4.34 O ATOM 1823 CB ARG A 120 -4.483 31.243 3.377 1.00 65.24 C ATOM 1824 CG ARG A 120 -3.341 31.083 2.386 1.00 50.12 C ATOM 1825 CD ARG A 120 -2.533 32.365 2.256 1.00 62.42 C ATOM 1826 NE ARG A 120 -2.608 32.925 0.909 1.00 20.12 N ATOM 1827 CZ ARG A 120 -1.948 34.013 0.528 1.00 61.21 C ATOM 1828 NH1 ARG A 120 -1.167 34.654 1.387 1.00 73.31 N ATOM 1829 NH2 ARG A 120 -2.068 34.461 -0.715 1.00 44.41 N ATOM 0 H ARG A 120 -5.131 33.621 3.430 1.00 64.31 H new ATOM 0 HA ARG A 120 -5.741 31.574 1.667 1.00 70.14 H new ATOM 0 HB2 ARG A 120 -4.178 31.936 4.161 1.00 65.24 H new ATOM 0 HB3 ARG A 120 -4.674 30.283 3.856 1.00 65.24 H new ATOM 0 HG2 ARG A 120 -2.689 30.272 2.709 1.00 50.12 H new ATOM 0 HG3 ARG A 120 -3.740 30.803 1.411 1.00 50.12 H new ATOM 0 HD2 ARG A 120 -2.899 33.099 2.974 1.00 62.42 H new ATOM 0 HD3 ARG A 120 -1.492 32.164 2.508 1.00 62.42 H new ATOM 0 HE ARG A 120 -3.199 32.455 0.224 1.00 20.12 H new ATOM 0 HH11 ARG A 120 -1.072 34.312 2.343 1.00 73.31 H new ATOM 0 HH12 ARG A 120 -0.661 35.489 1.091 1.00 73.31 H new ATOM 0 HH21 ARG A 120 -2.667 33.970 -1.378 1.00 44.41 H new ATOM 0 HH22 ARG A 120 -1.561 35.296 -1.007 1.00 44.41 H new ATOM 1843 N ARG A 121 -7.368 31.349 4.531 1.00 64.22 N ATOM 1844 CA ARG A 121 -8.492 30.698 5.192 1.00 55.41 C ATOM 1845 C ARG A 121 -9.749 30.776 4.330 1.00 41.24 C ATOM 1846 O ARG A 121 -10.409 29.767 4.085 1.00 71.12 O ATOM 1847 CB ARG A 121 -8.755 31.345 6.553 1.00 24.14 C ATOM 1848 CG ARG A 121 -9.875 30.682 7.337 1.00 74.41 C ATOM 1849 CD ARG A 121 -10.608 31.682 8.217 1.00 40.41 C ATOM 1850 NE ARG A 121 -11.443 32.590 7.435 1.00 10.30 N ATOM 1851 CZ ARG A 121 -12.235 33.510 7.976 1.00 61.44 C ATOM 1852 NH1 ARG A 121 -12.299 33.642 9.293 1.00 2.43 N ATOM 1853 NH2 ARG A 121 -12.965 34.299 7.198 1.00 63.13 N ATOM 0 H ARG A 121 -6.928 32.089 5.078 1.00 64.22 H new ATOM 0 HA ARG A 121 -8.236 29.649 5.339 1.00 55.41 H new ATOM 0 HB2 ARG A 121 -7.840 31.312 7.144 1.00 24.14 H new ATOM 0 HB3 ARG A 121 -9.000 32.397 6.404 1.00 24.14 H new ATOM 0 HG2 ARG A 121 -10.580 30.219 6.646 1.00 74.41 H new ATOM 0 HG3 ARG A 121 -9.464 29.884 7.956 1.00 74.41 H new ATOM 0 HD2 ARG A 121 -11.229 31.146 8.935 1.00 40.41 H new ATOM 0 HD3 ARG A 121 -9.883 32.260 8.791 1.00 40.41 H new ATOM 0 HE ARG A 121 -11.417 32.514 6.418 1.00 10.30 H new ATOM 0 HH11 ARG A 121 -11.740 33.037 9.894 1.00 2.43 H new ATOM 0 HH12 ARG A 121 -12.908 34.349 9.706 1.00 2.43 H new ATOM 0 HH21 ARG A 121 -12.919 34.200 6.184 1.00 63.13 H new ATOM 0 HH22 ARG A 121 -13.573 35.005 7.614 1.00 63.13 H new ATOM 1867 N ALA A 122 -10.073 31.981 3.873 1.00 51.33 N ATOM 1868 CA ALA A 122 -11.249 32.191 3.037 1.00 62.41 C ATOM 1869 C ALA A 122 -11.136 31.417 1.727 1.00 13.45 C ATOM 1870 O ALA A 122 -12.055 30.694 1.342 1.00 40.43 O ATOM 1871 CB ALA A 122 -11.443 33.674 2.761 1.00 1.30 C ATOM 0 H ALA A 122 -9.538 32.827 4.068 1.00 51.33 H new ATOM 0 HA ALA A 122 -12.119 31.817 3.576 1.00 62.41 H new ATOM 0 HB1 ALA A 122 -12.325 33.815 2.136 1.00 1.30 H new ATOM 0 HB2 ALA A 122 -11.577 34.205 3.703 1.00 1.30 H new ATOM 0 HB3 ALA A 122 -10.566 34.066 2.246 1.00 1.30 H new ATOM 1877 N ARG A 123 -10.005 31.575 1.048 1.00 51.11 N ATOM 1878 CA ARG A 123 -9.774 30.893 -0.220 1.00 22.24 C ATOM 1879 C ARG A 123 -10.012 29.392 -0.081 1.00 2.04 C ATOM 1880 O ARG A 123 -10.787 28.802 -0.834 1.00 14.40 O ATOM 1881 CB ARG A 123 -8.348 31.151 -0.709 1.00 64.42 C ATOM 1882 CG ARG A 123 -8.257 32.223 -1.783 1.00 23.41 C ATOM 1883 CD ARG A 123 -7.342 31.796 -2.920 1.00 63.21 C ATOM 1884 NE ARG A 123 -7.799 32.303 -4.211 1.00 13.43 N ATOM 1885 CZ ARG A 123 -8.877 31.847 -4.840 1.00 25.11 C ATOM 1886 NH1 ARG A 123 -9.603 30.878 -4.300 1.00 12.43 N ATOM 1887 NH2 ARG A 123 -9.229 32.360 -6.012 1.00 30.22 N ATOM 0 H ARG A 123 -9.234 32.169 1.354 1.00 51.11 H new ATOM 0 HA ARG A 123 -10.479 31.289 -0.951 1.00 22.24 H new ATOM 0 HB2 ARG A 123 -7.730 31.445 0.139 1.00 64.42 H new ATOM 0 HB3 ARG A 123 -7.933 30.222 -1.099 1.00 64.42 H new ATOM 0 HG2 ARG A 123 -9.252 32.433 -2.175 1.00 23.41 H new ATOM 0 HG3 ARG A 123 -7.886 33.149 -1.344 1.00 23.41 H new ATOM 0 HD2 ARG A 123 -6.331 32.156 -2.727 1.00 63.21 H new ATOM 0 HD3 ARG A 123 -7.292 30.708 -2.955 1.00 63.21 H new ATOM 0 HE ARG A 123 -7.261 33.048 -4.654 1.00 13.43 H new ATOM 0 HH11 ARG A 123 -9.335 30.481 -3.400 1.00 12.43 H new ATOM 0 HH12 ARG A 123 -10.430 30.530 -4.785 1.00 12.43 H new ATOM 0 HH21 ARG A 123 -8.672 33.105 -6.431 1.00 30.22 H new ATOM 0 HH22 ARG A 123 -10.057 32.009 -6.494 1.00 30.22 H new ATOM 1901 N THR A 124 -9.339 28.778 0.888 1.00 42.40 N ATOM 1902 CA THR A 124 -9.475 27.347 1.125 1.00 73.10 C ATOM 1903 C THR A 124 -10.937 26.958 1.313 1.00 30.33 C ATOM 1904 O THR A 124 -11.425 26.019 0.683 1.00 14.54 O ATOM 1905 CB THR A 124 -8.674 26.904 2.364 1.00 71.33 C ATOM 1906 OG1 THR A 124 -7.329 27.386 2.275 1.00 2.24 O ATOM 1907 CG2 THR A 124 -8.667 25.388 2.490 1.00 73.32 C ATOM 0 H THR A 124 -8.694 29.251 1.521 1.00 42.40 H new ATOM 0 HA THR A 124 -9.077 26.841 0.245 1.00 73.10 H new ATOM 0 HB THR A 124 -9.153 27.324 3.248 1.00 71.33 H new ATOM 0 HG1 THR A 124 -7.300 28.327 2.547 1.00 2.24 H new ATOM 0 HG21 THR A 124 -8.095 25.099 3.372 1.00 73.32 H new ATOM 0 HG22 THR A 124 -9.691 25.026 2.586 1.00 73.32 H new ATOM 0 HG23 THR A 124 -8.210 24.951 1.602 1.00 73.32 H new ATOM 1915 N ARG A 125 -11.631 27.684 2.183 1.00 3.43 N ATOM 1916 CA ARG A 125 -13.037 27.414 2.455 1.00 54.15 C ATOM 1917 C ARG A 125 -13.854 27.441 1.166 1.00 35.21 C ATOM 1918 O ARG A 125 -14.750 26.619 0.969 1.00 65.11 O ATOM 1919 CB ARG A 125 -13.594 28.439 3.445 1.00 22.51 C ATOM 1920 CG ARG A 125 -14.656 27.873 4.373 1.00 14.34 C ATOM 1921 CD ARG A 125 -15.497 28.977 4.995 1.00 11.24 C ATOM 1922 NE ARG A 125 -15.081 29.278 6.363 1.00 60.24 N ATOM 1923 CZ ARG A 125 -15.687 30.172 7.136 1.00 74.23 C ATOM 1924 NH1 ARG A 125 -16.732 30.849 6.678 1.00 24.14 N ATOM 1925 NH2 ARG A 125 -15.250 30.390 8.369 1.00 22.53 N ATOM 0 H ARG A 125 -11.242 28.464 2.712 1.00 3.43 H new ATOM 0 HA ARG A 125 -13.112 26.419 2.893 1.00 54.15 H new ATOM 0 HB2 ARG A 125 -12.774 28.836 4.044 1.00 22.51 H new ATOM 0 HB3 ARG A 125 -14.017 29.276 2.889 1.00 22.51 H new ATOM 0 HG2 ARG A 125 -15.301 27.192 3.818 1.00 14.34 H new ATOM 0 HG3 ARG A 125 -14.179 27.290 5.161 1.00 14.34 H new ATOM 0 HD2 ARG A 125 -15.420 29.878 4.386 1.00 11.24 H new ATOM 0 HD3 ARG A 125 -16.546 28.679 4.992 1.00 11.24 H new ATOM 0 HE ARG A 125 -14.281 28.774 6.745 1.00 60.24 H new ATOM 0 HH11 ARG A 125 -17.072 30.683 5.731 1.00 24.14 H new ATOM 0 HH12 ARG A 125 -17.196 31.535 7.273 1.00 24.14 H new ATOM 0 HH21 ARG A 125 -14.447 29.871 8.725 1.00 22.53 H new ATOM 0 HH22 ARG A 125 -15.716 31.077 8.961 1.00 22.53 H new ATOM 1939 N VAL A 126 -13.540 28.392 0.292 1.00 73.42 N ATOM 1940 CA VAL A 126 -14.244 28.526 -0.978 1.00 34.50 C ATOM 1941 C VAL A 126 -14.153 27.242 -1.795 1.00 32.40 C ATOM 1942 O VAL A 126 -15.167 26.706 -2.243 1.00 3.54 O ATOM 1943 CB VAL A 126 -13.682 29.692 -1.811 1.00 41.43 C ATOM 1944 CG1 VAL A 126 -14.450 29.836 -3.116 1.00 72.12 C ATOM 1945 CG2 VAL A 126 -13.725 30.986 -1.013 1.00 11.35 C ATOM 0 H VAL A 126 -12.803 29.081 0.440 1.00 73.42 H new ATOM 0 HA VAL A 126 -15.288 28.729 -0.741 1.00 34.50 H new ATOM 0 HB VAL A 126 -12.641 29.474 -2.052 1.00 41.43 H new ATOM 0 HG11 VAL A 126 -14.038 30.665 -3.691 1.00 72.12 H new ATOM 0 HG12 VAL A 126 -14.362 28.915 -3.693 1.00 72.12 H new ATOM 0 HG13 VAL A 126 -15.501 30.030 -2.900 1.00 72.12 H new ATOM 0 HG21 VAL A 126 -13.324 31.800 -1.617 1.00 11.35 H new ATOM 0 HG22 VAL A 126 -14.756 31.211 -0.740 1.00 11.35 H new ATOM 0 HG23 VAL A 126 -13.126 30.876 -0.109 1.00 11.35 H new ATOM 1955 N GLU A 127 -12.932 26.753 -1.985 1.00 24.24 N ATOM 1956 CA GLU A 127 -12.709 25.531 -2.749 1.00 24.14 C ATOM 1957 C GLU A 127 -13.325 24.327 -2.042 1.00 54.20 C ATOM 1958 O GLU A 127 -13.731 23.358 -2.683 1.00 42.33 O ATOM 1959 CB GLU A 127 -11.211 25.300 -2.958 1.00 45.54 C ATOM 1960 CG GLU A 127 -10.482 26.508 -3.525 1.00 34.21 C ATOM 1961 CD GLU A 127 -10.997 26.910 -4.894 1.00 2.05 C ATOM 1962 OE1 GLU A 127 -11.311 26.009 -5.698 1.00 62.45 O ATOM 1963 OE2 GLU A 127 -11.086 28.127 -5.159 1.00 45.20 O ATOM 0 H GLU A 127 -12.082 27.184 -1.621 1.00 24.24 H new ATOM 0 HA GLU A 127 -13.191 25.647 -3.720 1.00 24.14 H new ATOM 0 HB2 GLU A 127 -10.758 25.027 -2.005 1.00 45.54 H new ATOM 0 HB3 GLU A 127 -11.073 24.454 -3.631 1.00 45.54 H new ATOM 0 HG2 GLU A 127 -10.590 27.348 -2.839 1.00 34.21 H new ATOM 0 HG3 GLU A 127 -9.417 26.287 -3.592 1.00 34.21 H new ATOM 1970 N ALA A 128 -13.392 24.397 -0.717 1.00 31.25 N ATOM 1971 CA ALA A 128 -13.960 23.315 0.078 1.00 72.44 C ATOM 1972 C ALA A 128 -15.472 23.236 -0.104 1.00 71.41 C ATOM 1973 O ALA A 128 -16.031 22.151 -0.268 1.00 14.32 O ATOM 1974 CB ALA A 128 -13.612 23.500 1.547 1.00 32.53 C ATOM 0 H ALA A 128 -13.060 25.192 -0.171 1.00 31.25 H new ATOM 0 HA ALA A 128 -13.529 22.376 -0.270 1.00 72.44 H new ATOM 0 HB1 ALA A 128 -14.043 22.685 2.128 1.00 32.53 H new ATOM 0 HB2 ALA A 128 -12.529 23.499 1.667 1.00 32.53 H new ATOM 0 HB3 ALA A 128 -14.015 24.449 1.900 1.00 32.53 H new ATOM 1980 N SER A 129 -16.128 24.391 -0.073 1.00 55.04 N ATOM 1981 CA SER A 129 -17.577 24.452 -0.230 1.00 61.22 C ATOM 1982 C SER A 129 -17.974 24.257 -1.690 1.00 41.35 C ATOM 1983 O SER A 129 -18.896 23.504 -1.999 1.00 55.41 O ATOM 1984 CB SER A 129 -18.111 25.791 0.281 1.00 3.21 C ATOM 1985 OG SER A 129 -17.845 26.832 -0.643 1.00 2.43 O ATOM 0 H SER A 129 -15.680 25.298 0.059 1.00 55.04 H new ATOM 0 HA SER A 129 -18.015 23.646 0.358 1.00 61.22 H new ATOM 0 HB2 SER A 129 -19.185 25.717 0.451 1.00 3.21 H new ATOM 0 HB3 SER A 129 -17.652 26.027 1.241 1.00 3.21 H new ATOM 0 HG SER A 129 -18.197 27.677 -0.294 1.00 2.43 H new ATOM 1991 N ASN A 130 -17.269 24.943 -2.585 1.00 31.40 N ATOM 1992 CA ASN A 130 -17.547 24.847 -4.013 1.00 74.44 C ATOM 1993 C ASN A 130 -16.642 23.812 -4.676 1.00 0.54 C ATOM 1994 O ASN A 130 -16.058 24.066 -5.730 1.00 21.31 O ATOM 1995 CB ASN A 130 -17.359 26.209 -4.683 1.00 54.25 C ATOM 1996 CG ASN A 130 -18.401 27.219 -4.242 1.00 1.20 C ATOM 1997 OD1 ASN A 130 -18.082 28.208 -3.581 1.00 71.31 O ATOM 1998 ND2 ASN A 130 -19.654 26.974 -4.606 1.00 52.12 N ATOM 0 H ASN A 130 -16.502 25.571 -2.346 1.00 31.40 H new ATOM 0 HA ASN A 130 -18.582 24.529 -4.135 1.00 74.44 H new ATOM 0 HB2 ASN A 130 -16.365 26.591 -4.450 1.00 54.25 H new ATOM 0 HB3 ASN A 130 -17.409 26.089 -5.765 1.00 54.25 H new ATOM 0 HD21 ASN A 130 -20.398 27.618 -4.338 1.00 52.12 H new ATOM 0 HD22 ASN A 130 -19.873 26.142 -5.154 1.00 52.12 H new ATOM 2005 N THR A 131 -16.530 22.645 -4.050 1.00 70.31 N ATOM 2006 CA THR A 131 -15.696 21.572 -4.577 1.00 51.14 C ATOM 2007 C THR A 131 -16.110 21.201 -5.997 1.00 3.30 C ATOM 2008 O THR A 131 -15.267 20.875 -6.833 1.00 71.54 O ATOM 2009 CB THR A 131 -15.768 20.316 -3.689 1.00 75.20 C ATOM 2010 OG1 THR A 131 -14.931 19.286 -4.227 1.00 2.50 O ATOM 2011 CG2 THR A 131 -17.199 19.809 -3.584 1.00 10.12 C ATOM 0 H THR A 131 -17.007 22.419 -3.177 1.00 70.31 H new ATOM 0 HA THR A 131 -14.671 21.943 -4.585 1.00 51.14 H new ATOM 0 HB THR A 131 -15.419 20.583 -2.692 1.00 75.20 H new ATOM 0 HG1 THR A 131 -14.982 18.492 -3.655 1.00 2.50 H new ATOM 0 HG21 THR A 131 -17.225 18.921 -2.952 1.00 10.12 H new ATOM 0 HG22 THR A 131 -17.829 20.584 -3.147 1.00 10.12 H new ATOM 0 HG23 THR A 131 -17.570 19.558 -4.578 1.00 10.12 H new ATOM 2019 N ILE A 132 -17.411 21.255 -6.262 1.00 65.32 N ATOM 2020 CA ILE A 132 -17.935 20.926 -7.582 1.00 64.00 C ATOM 2021 C ILE A 132 -19.451 21.079 -7.625 1.00 52.41 C ATOM 2022 O ILE A 132 -20.183 20.286 -7.033 1.00 3.12 O ATOM 2023 CB ILE A 132 -17.563 19.489 -7.993 1.00 74.03 C ATOM 2024 CG1 ILE A 132 -18.263 19.113 -9.301 1.00 62.31 C ATOM 2025 CG2 ILE A 132 -17.932 18.510 -6.889 1.00 22.05 C ATOM 2026 CD1 ILE A 132 -17.361 18.402 -10.286 1.00 30.33 C ATOM 0 H ILE A 132 -18.121 21.523 -5.581 1.00 65.32 H new ATOM 0 HA ILE A 132 -17.482 21.625 -8.285 1.00 64.00 H new ATOM 0 HB ILE A 132 -16.486 19.439 -8.151 1.00 74.03 H new ATOM 0 HG12 ILE A 132 -19.117 18.474 -9.076 1.00 62.31 H new ATOM 0 HG13 ILE A 132 -18.655 20.017 -9.767 1.00 62.31 H new ATOM 0 HG21 ILE A 132 -17.663 17.499 -7.194 1.00 22.05 H new ATOM 0 HG22 ILE A 132 -17.393 18.769 -5.978 1.00 22.05 H new ATOM 0 HG23 ILE A 132 -19.005 18.559 -6.703 1.00 22.05 H new ATOM 0 HD11 ILE A 132 -17.923 18.166 -11.189 1.00 30.33 H new ATOM 0 HD12 ILE A 132 -16.520 19.047 -10.540 1.00 30.33 H new ATOM 0 HD13 ILE A 132 -16.989 17.480 -9.839 1.00 30.33 H new ATOM 2038 N SER A 133 -19.917 22.104 -8.332 1.00 10.33 N ATOM 2039 CA SER A 133 -21.347 22.363 -8.451 1.00 50.41 C ATOM 2040 C SER A 133 -21.793 22.288 -9.908 1.00 40.02 C ATOM 2041 O SER A 133 -21.100 22.765 -10.807 1.00 2.25 O ATOM 2042 CB SER A 133 -21.688 23.738 -7.872 1.00 61.20 C ATOM 2043 OG SER A 133 -21.210 24.777 -8.709 1.00 21.40 O ATOM 0 H SER A 133 -19.325 22.768 -8.831 1.00 10.33 H new ATOM 0 HA SER A 133 -21.878 21.597 -7.886 1.00 50.41 H new ATOM 0 HB2 SER A 133 -22.768 23.829 -7.755 1.00 61.20 H new ATOM 0 HB3 SER A 133 -21.250 23.837 -6.879 1.00 61.20 H new ATOM 0 HG SER A 133 -21.442 25.645 -8.318 1.00 21.40 H new ATOM 2049 N SER A 134 -22.956 21.685 -10.134 1.00 63.22 N ATOM 2050 CA SER A 134 -23.494 21.543 -11.482 1.00 22.40 C ATOM 2051 C SER A 134 -24.254 22.798 -11.899 1.00 3.23 C ATOM 2052 O SER A 134 -24.750 22.892 -13.020 1.00 71.41 O ATOM 2053 CB SER A 134 -24.417 20.325 -11.560 1.00 23.14 C ATOM 2054 OG SER A 134 -23.780 19.169 -11.043 1.00 72.14 O ATOM 0 H SER A 134 -23.544 21.287 -9.401 1.00 63.22 H new ATOM 0 HA SER A 134 -22.658 21.401 -12.167 1.00 22.40 H new ATOM 0 HB2 SER A 134 -25.332 20.521 -11.000 1.00 23.14 H new ATOM 0 HB3 SER A 134 -24.708 20.151 -12.596 1.00 23.14 H new ATOM 0 HG SER A 134 -24.391 18.405 -11.102 1.00 72.14 H new