USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 604 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 43 TYR OH : rot -143:sc= 0.408 USER MOD Set 1.2: A 78 HIS : no HD1:sc= 0.167 K(o=0.58,f=-0.26) USER MOD Set 2.1: A 54 SER OG : rot 149:sc= 0.415 USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0.392 USER MOD Set 3.1: A 45 TYR OH : rot 90:sc= 0.721 USER MOD Set 3.2: A 48 THR OG1 : rot 75:sc= 0.76 USER MOD Set 4.1: A 9 TYR OH : rot 2:sc= 0.909 USER MOD Set 4.2: A 35 TYR OH : rot 130:sc= 0.403 USER MOD Set 4.3: A 38 THR OG1 : rot 34:sc= 0.418 USER MOD Set 5.1: A 32 SER OG : rot 180:sc= 0.322 USER MOD Set 5.2: A 63 THR OG1 : rot -90:sc= 0.336 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0986 (180deg=-0.414) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0707 (180deg=-0.187) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.72! K(o=-1.7!,f=-0.71) USER MOD Single : A 24 THR OG1 : rot 29:sc= 0.0537 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0211 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0.155 K(o=0.16,f=-4.5!) USER MOD Single : A 75 HIS : no HE2:sc= -0.176 K(o=0.0087,f=-2.1) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc=-0.00969 X(o=-0.0097,f=-0.34) USER MOD Single : A 84 HIS : no HD1:sc= -0.282 X(o=-0.28,f=0.048) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 86 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.194 23.604 0.907 1.00 72.04 N ATOM 2 CA MET A 1 -4.599 23.272 1.294 1.00 32.11 C ATOM 3 C MET A 1 -5.014 21.854 0.835 1.00 21.22 C ATOM 4 O MET A 1 -6.087 21.369 1.209 1.00 34.14 O ATOM 5 CB MET A 1 -5.581 24.332 0.726 1.00 50.45 C ATOM 6 CG MET A 1 -5.322 25.767 1.209 1.00 3.22 C ATOM 7 SD MET A 1 -6.514 26.962 0.550 1.00 30.33 S ATOM 8 CE MET A 1 -6.268 26.809 -1.225 1.00 23.33 C ATOM 0 H1 MET A 1 -2.904 24.485 1.377 1.00 72.04 H new ATOM 0 H2 MET A 1 -2.562 22.832 1.199 1.00 72.04 H new ATOM 0 H3 MET A 1 -3.138 23.726 -0.124 1.00 72.04 H new ATOM 0 HA MET A 1 -4.645 23.286 2.383 1.00 32.11 H new ATOM 0 HB2 MET A 1 -5.525 24.313 -0.362 1.00 50.45 H new ATOM 0 HB3 MET A 1 -6.598 24.049 0.998 1.00 50.45 H new ATOM 0 HG2 MET A 1 -5.357 25.790 2.298 1.00 3.22 H new ATOM 0 HG3 MET A 1 -4.316 26.067 0.916 1.00 3.22 H new ATOM 0 HE1 MET A 1 -6.730 27.657 -1.731 1.00 23.33 H new ATOM 0 HE2 MET A 1 -5.200 26.794 -1.444 1.00 23.33 H new ATOM 0 HE3 MET A 1 -6.724 25.884 -1.577 1.00 23.33 H new ATOM 20 N ASP A 2 -4.168 21.199 0.019 1.00 10.35 N ATOM 21 CA ASP A 2 -4.423 19.830 -0.478 1.00 20.51 C ATOM 22 C ASP A 2 -3.422 18.814 0.135 1.00 63.52 C ATOM 23 O ASP A 2 -2.235 19.122 0.321 1.00 20.44 O ATOM 24 CB ASP A 2 -4.399 19.819 -2.029 1.00 73.40 C ATOM 25 CG ASP A 2 -3.093 20.356 -2.642 1.00 15.34 C ATOM 26 OD1 ASP A 2 -2.974 21.589 -2.829 1.00 1.33 O ATOM 27 OD2 ASP A 2 -2.180 19.560 -2.935 1.00 51.25 O ATOM 0 H ASP A 2 -3.291 21.600 -0.315 1.00 10.35 H new ATOM 0 HA ASP A 2 -5.416 19.515 -0.157 1.00 20.51 H new ATOM 0 HB2 ASP A 2 -4.558 18.798 -2.377 1.00 73.40 H new ATOM 0 HB3 ASP A 2 -5.233 20.415 -2.399 1.00 73.40 H new ATOM 32 N GLU A 3 -3.920 17.599 0.443 1.00 54.25 N ATOM 33 CA GLU A 3 -3.157 16.561 1.184 1.00 42.23 C ATOM 34 C GLU A 3 -2.805 15.365 0.276 1.00 21.22 C ATOM 35 O GLU A 3 -3.611 14.957 -0.567 1.00 33.24 O ATOM 36 CB GLU A 3 -3.988 16.062 2.405 1.00 54.33 C ATOM 37 CG GLU A 3 -4.365 17.157 3.428 1.00 12.13 C ATOM 38 CD GLU A 3 -3.143 17.842 4.078 1.00 44.23 C ATOM 39 OE1 GLU A 3 -2.589 17.288 5.054 1.00 72.24 O ATOM 40 OE2 GLU A 3 -2.735 18.939 3.624 1.00 62.34 O ATOM 0 H GLU A 3 -4.863 17.305 0.187 1.00 54.25 H new ATOM 0 HA GLU A 3 -2.227 17.012 1.530 1.00 42.23 H new ATOM 0 HB2 GLU A 3 -4.903 15.598 2.038 1.00 54.33 H new ATOM 0 HB3 GLU A 3 -3.421 15.285 2.919 1.00 54.33 H new ATOM 0 HG2 GLU A 3 -4.973 17.913 2.931 1.00 12.13 H new ATOM 0 HG3 GLU A 3 -4.982 16.715 4.210 1.00 12.13 H new ATOM 47 N ASP A 4 -1.606 14.793 0.477 1.00 2.41 N ATOM 48 CA ASP A 4 -1.177 13.551 -0.202 1.00 13.13 C ATOM 49 C ASP A 4 -1.411 12.323 0.714 1.00 64.33 C ATOM 50 O ASP A 4 -1.586 12.466 1.929 1.00 32.30 O ATOM 51 CB ASP A 4 0.313 13.646 -0.630 1.00 53.21 C ATOM 52 CG ASP A 4 1.292 13.708 0.557 1.00 63.44 C ATOM 53 OD1 ASP A 4 1.279 14.715 1.301 1.00 51.12 O ATOM 54 OD2 ASP A 4 2.081 12.758 0.746 1.00 3.02 O ATOM 0 H ASP A 4 -0.906 15.175 1.113 1.00 2.41 H new ATOM 0 HA ASP A 4 -1.779 13.425 -1.102 1.00 13.13 H new ATOM 0 HB2 ASP A 4 0.560 12.784 -1.250 1.00 53.21 H new ATOM 0 HB3 ASP A 4 0.449 14.533 -1.249 1.00 53.21 H new ATOM 59 N ALA A 5 -1.420 11.127 0.109 1.00 41.41 N ATOM 60 CA ALA A 5 -1.530 9.842 0.826 1.00 54.42 C ATOM 61 C ALA A 5 -0.372 8.917 0.396 1.00 21.31 C ATOM 62 O ALA A 5 -0.198 8.653 -0.800 1.00 62.42 O ATOM 63 CB ALA A 5 -2.906 9.196 0.571 1.00 12.11 C ATOM 0 H ALA A 5 -1.351 11.020 -0.903 1.00 41.41 H new ATOM 0 HA ALA A 5 -1.452 10.013 1.900 1.00 54.42 H new ATOM 0 HB1 ALA A 5 -2.969 8.249 1.108 1.00 12.11 H new ATOM 0 HB2 ALA A 5 -3.692 9.865 0.921 1.00 12.11 H new ATOM 0 HB3 ALA A 5 -3.031 9.017 -0.497 1.00 12.11 H new ATOM 69 N THR A 6 0.401 8.419 1.378 1.00 2.04 N ATOM 70 CA THR A 6 1.702 7.743 1.136 1.00 73.03 C ATOM 71 C THR A 6 1.549 6.205 1.133 1.00 34.03 C ATOM 72 O THR A 6 0.987 5.629 2.056 1.00 54.01 O ATOM 73 CB THR A 6 2.755 8.161 2.224 1.00 42.20 C ATOM 74 OG1 THR A 6 2.294 7.796 3.537 1.00 3.15 O ATOM 75 CG2 THR A 6 3.030 9.676 2.195 1.00 44.03 C ATOM 0 H THR A 6 0.147 8.471 2.364 1.00 2.04 H new ATOM 0 HA THR A 6 2.052 8.059 0.153 1.00 73.03 H new ATOM 0 HB THR A 6 3.680 7.632 1.995 1.00 42.20 H new ATOM 0 HG1 THR A 6 2.962 8.061 4.204 1.00 3.15 H new ATOM 0 HG21 THR A 6 3.763 9.927 2.961 1.00 44.03 H new ATOM 0 HG22 THR A 6 3.418 9.957 1.216 1.00 44.03 H new ATOM 0 HG23 THR A 6 2.104 10.218 2.387 1.00 44.03 H new ATOM 83 N ILE A 7 2.065 5.550 0.078 1.00 21.13 N ATOM 84 CA ILE A 7 1.988 4.076 -0.105 1.00 72.41 C ATOM 85 C ILE A 7 3.418 3.493 -0.188 1.00 3.04 C ATOM 86 O ILE A 7 4.252 4.022 -0.925 1.00 24.32 O ATOM 87 CB ILE A 7 1.199 3.720 -1.427 1.00 33.45 C ATOM 88 CG1 ILE A 7 -0.149 4.506 -1.507 1.00 10.14 C ATOM 89 CG2 ILE A 7 0.959 2.190 -1.544 1.00 25.54 C ATOM 90 CD1 ILE A 7 -0.810 4.496 -2.879 1.00 51.40 C ATOM 0 H ILE A 7 2.552 6.025 -0.681 1.00 21.13 H new ATOM 0 HA ILE A 7 1.459 3.645 0.745 1.00 72.41 H new ATOM 0 HB ILE A 7 1.816 4.026 -2.272 1.00 33.45 H new ATOM 0 HG12 ILE A 7 -0.844 4.084 -0.781 1.00 10.14 H new ATOM 0 HG13 ILE A 7 0.031 5.540 -1.213 1.00 10.14 H new ATOM 0 HG21 ILE A 7 0.414 1.976 -2.464 1.00 25.54 H new ATOM 0 HG22 ILE A 7 1.918 1.672 -1.562 1.00 25.54 H new ATOM 0 HG23 ILE A 7 0.377 1.847 -0.689 1.00 25.54 H new ATOM 0 HD11 ILE A 7 -1.739 5.065 -2.840 1.00 51.40 H new ATOM 0 HD12 ILE A 7 -0.139 4.947 -3.610 1.00 51.40 H new ATOM 0 HD13 ILE A 7 -1.027 3.468 -3.171 1.00 51.40 H new ATOM 102 N THR A 8 3.718 2.412 0.561 1.00 21.33 N ATOM 103 CA THR A 8 5.069 1.784 0.538 1.00 22.11 C ATOM 104 C THR A 8 4.979 0.241 0.650 1.00 21.21 C ATOM 105 O THR A 8 4.431 -0.288 1.619 1.00 64.12 O ATOM 106 CB THR A 8 5.989 2.342 1.693 1.00 33.20 C ATOM 107 OG1 THR A 8 6.041 3.787 1.647 1.00 60.43 O ATOM 108 CG2 THR A 8 7.430 1.790 1.604 1.00 75.12 C ATOM 0 H THR A 8 3.055 1.954 1.186 1.00 21.33 H new ATOM 0 HA THR A 8 5.516 2.043 -0.422 1.00 22.11 H new ATOM 0 HB THR A 8 5.548 2.012 2.633 1.00 33.20 H new ATOM 0 HG1 THR A 8 6.614 4.117 2.370 1.00 60.43 H new ATOM 0 HG21 THR A 8 8.028 2.200 2.418 1.00 75.12 H new ATOM 0 HG22 THR A 8 7.409 0.703 1.682 1.00 75.12 H new ATOM 0 HG23 THR A 8 7.871 2.077 0.649 1.00 75.12 H new ATOM 116 N TYR A 9 5.518 -0.462 -0.362 1.00 2.10 N ATOM 117 CA TYR A 9 5.670 -1.935 -0.352 1.00 12.51 C ATOM 118 C TYR A 9 6.919 -2.323 0.481 1.00 43.00 C ATOM 119 O TYR A 9 8.000 -1.766 0.262 1.00 31.23 O ATOM 120 CB TYR A 9 5.791 -2.464 -1.813 1.00 43.34 C ATOM 121 CG TYR A 9 4.532 -2.232 -2.680 1.00 12.34 C ATOM 122 CD1 TYR A 9 4.181 -0.952 -3.135 1.00 53.24 C ATOM 123 CD2 TYR A 9 3.686 -3.290 -3.034 1.00 50.25 C ATOM 124 CE1 TYR A 9 3.043 -0.744 -3.895 1.00 51.25 C ATOM 125 CE2 TYR A 9 2.550 -3.082 -3.791 1.00 50.30 C ATOM 126 CZ TYR A 9 2.234 -1.811 -4.219 1.00 63.24 C ATOM 127 OH TYR A 9 1.101 -1.605 -4.974 1.00 11.42 O ATOM 0 H TYR A 9 5.864 -0.025 -1.216 1.00 2.10 H new ATOM 0 HA TYR A 9 4.792 -2.391 0.106 1.00 12.51 H new ATOM 0 HB2 TYR A 9 6.642 -1.981 -2.293 1.00 43.34 H new ATOM 0 HB3 TYR A 9 6.006 -3.532 -1.784 1.00 43.34 H new ATOM 0 HD1 TYR A 9 4.812 -0.111 -2.887 1.00 53.24 H new ATOM 0 HD2 TYR A 9 3.927 -4.291 -2.708 1.00 50.25 H new ATOM 0 HE1 TYR A 9 2.790 0.250 -4.232 1.00 51.25 H new ATOM 0 HE2 TYR A 9 1.911 -3.914 -4.047 1.00 50.30 H new ATOM 0 HH TYR A 9 1.039 -0.658 -5.219 1.00 11.42 H new ATOM 137 N VAL A 10 6.774 -3.263 1.443 1.00 70.54 N ATOM 138 CA VAL A 10 7.871 -3.634 2.377 1.00 1.01 C ATOM 139 C VAL A 10 8.262 -5.132 2.281 1.00 45.22 C ATOM 140 O VAL A 10 7.408 -6.004 2.100 1.00 45.10 O ATOM 141 CB VAL A 10 7.537 -3.257 3.873 1.00 74.01 C ATOM 142 CG1 VAL A 10 7.390 -1.726 4.050 1.00 41.41 C ATOM 143 CG2 VAL A 10 6.279 -3.992 4.388 1.00 65.13 C ATOM 0 H VAL A 10 5.909 -3.781 1.596 1.00 70.54 H new ATOM 0 HA VAL A 10 8.731 -3.045 2.059 1.00 1.01 H new ATOM 0 HB VAL A 10 8.381 -3.589 4.478 1.00 74.01 H new ATOM 0 HG11 VAL A 10 7.160 -1.501 5.091 1.00 41.41 H new ATOM 0 HG12 VAL A 10 8.323 -1.236 3.770 1.00 41.41 H new ATOM 0 HG13 VAL A 10 6.584 -1.362 3.413 1.00 41.41 H new ATOM 0 HG21 VAL A 10 6.086 -3.703 5.421 1.00 65.13 H new ATOM 0 HG22 VAL A 10 5.422 -3.723 3.770 1.00 65.13 H new ATOM 0 HG23 VAL A 10 6.440 -5.069 4.336 1.00 65.13 H new ATOM 153 N ASP A 11 9.580 -5.395 2.389 1.00 61.14 N ATOM 154 CA ASP A 11 10.158 -6.751 2.424 1.00 34.34 C ATOM 155 C ASP A 11 10.253 -7.230 3.895 1.00 33.12 C ATOM 156 O ASP A 11 11.224 -6.916 4.603 1.00 30.42 O ATOM 157 CB ASP A 11 11.563 -6.699 1.751 1.00 62.13 C ATOM 158 CG ASP A 11 12.207 -8.068 1.433 1.00 3.42 C ATOM 159 OD1 ASP A 11 12.135 -8.994 2.261 1.00 22.31 O ATOM 160 OD2 ASP A 11 12.819 -8.210 0.350 1.00 73.32 O ATOM 0 H ASP A 11 10.283 -4.659 2.455 1.00 61.14 H new ATOM 0 HA ASP A 11 9.531 -7.459 1.882 1.00 34.34 H new ATOM 0 HB2 ASP A 11 11.480 -6.133 0.823 1.00 62.13 H new ATOM 0 HB3 ASP A 11 12.237 -6.144 2.403 1.00 62.13 H new ATOM 165 N ASP A 12 9.227 -7.960 4.348 1.00 23.32 N ATOM 166 CA ASP A 12 9.141 -8.498 5.731 1.00 44.12 C ATOM 167 C ASP A 12 10.219 -9.575 6.049 1.00 65.24 C ATOM 168 O ASP A 12 10.444 -9.904 7.222 1.00 55.14 O ATOM 169 CB ASP A 12 7.713 -9.041 5.986 1.00 60.31 C ATOM 170 CG ASP A 12 6.662 -7.920 6.018 1.00 21.53 C ATOM 171 OD1 ASP A 12 6.239 -7.446 4.947 1.00 61.30 O ATOM 172 OD2 ASP A 12 6.275 -7.487 7.127 1.00 22.55 O ATOM 0 H ASP A 12 8.422 -8.201 3.769 1.00 23.32 H new ATOM 0 HA ASP A 12 9.349 -7.673 6.412 1.00 44.12 H new ATOM 0 HB2 ASP A 12 7.454 -9.757 5.206 1.00 60.31 H new ATOM 0 HB3 ASP A 12 7.695 -9.580 6.933 1.00 60.31 H new ATOM 177 N ASP A 13 10.881 -10.119 5.009 1.00 75.42 N ATOM 178 CA ASP A 13 12.007 -11.077 5.169 1.00 22.00 C ATOM 179 C ASP A 13 13.334 -10.326 5.461 1.00 22.43 C ATOM 180 O ASP A 13 14.333 -10.930 5.867 1.00 51.32 O ATOM 181 CB ASP A 13 12.175 -11.927 3.885 1.00 5.05 C ATOM 182 CG ASP A 13 10.854 -12.492 3.365 1.00 3.41 C ATOM 183 OD1 ASP A 13 10.107 -11.735 2.728 1.00 4.25 O ATOM 184 OD2 ASP A 13 10.550 -13.688 3.583 1.00 70.34 O ATOM 0 H ASP A 13 10.656 -9.912 4.036 1.00 75.42 H new ATOM 0 HA ASP A 13 11.775 -11.729 6.011 1.00 22.00 H new ATOM 0 HB2 ASP A 13 12.633 -11.315 3.108 1.00 5.05 H new ATOM 0 HB3 ASP A 13 12.861 -12.750 4.088 1.00 5.05 H new ATOM 189 N LYS A 14 13.323 -8.996 5.243 1.00 65.42 N ATOM 190 CA LYS A 14 14.504 -8.121 5.409 1.00 64.23 C ATOM 191 C LYS A 14 14.235 -7.052 6.512 1.00 64.00 C ATOM 192 O LYS A 14 14.889 -6.007 6.556 1.00 44.23 O ATOM 193 CB LYS A 14 14.836 -7.458 4.025 1.00 22.24 C ATOM 194 CG LYS A 14 16.342 -7.301 3.716 1.00 53.12 C ATOM 195 CD LYS A 14 17.074 -8.669 3.612 1.00 30.32 C ATOM 196 CE LYS A 14 16.502 -9.588 2.508 1.00 34.35 C ATOM 197 NZ LYS A 14 17.183 -10.911 2.471 1.00 13.42 N ATOM 0 H LYS A 14 12.487 -8.493 4.944 1.00 65.42 H new ATOM 0 HA LYS A 14 15.365 -8.706 5.733 1.00 64.23 H new ATOM 0 HB2 LYS A 14 14.380 -8.055 3.235 1.00 22.24 H new ATOM 0 HB3 LYS A 14 14.370 -6.473 3.990 1.00 22.24 H new ATOM 0 HG2 LYS A 14 16.463 -6.756 2.780 1.00 53.12 H new ATOM 0 HG3 LYS A 14 16.809 -6.701 4.497 1.00 53.12 H new ATOM 0 HD2 LYS A 14 18.132 -8.493 3.416 1.00 30.32 H new ATOM 0 HD3 LYS A 14 17.009 -9.182 4.572 1.00 30.32 H new ATOM 0 HE2 LYS A 14 15.435 -9.735 2.676 1.00 34.35 H new ATOM 0 HE3 LYS A 14 16.608 -9.099 1.539 1.00 34.35 H new ATOM 0 HZ1 LYS A 14 16.768 -11.494 1.717 1.00 13.42 H new ATOM 0 HZ2 LYS A 14 18.197 -10.774 2.285 1.00 13.42 H new ATOM 0 HZ3 LYS A 14 17.061 -11.390 3.386 1.00 13.42 H new ATOM 211 N GLY A 15 13.278 -7.361 7.413 1.00 25.14 N ATOM 212 CA GLY A 15 12.881 -6.451 8.499 1.00 40.41 C ATOM 213 C GLY A 15 12.104 -5.215 8.028 1.00 51.42 C ATOM 214 O GLY A 15 12.329 -4.104 8.528 1.00 60.00 O ATOM 0 H GLY A 15 12.765 -8.242 7.405 1.00 25.14 H new ATOM 0 HA2 GLY A 15 12.269 -7.001 9.214 1.00 40.41 H new ATOM 0 HA3 GLY A 15 13.775 -6.124 9.030 1.00 40.41 H new ATOM 218 N GLY A 16 11.194 -5.419 7.059 1.00 23.00 N ATOM 219 CA GLY A 16 10.373 -4.332 6.498 1.00 41.11 C ATOM 220 C GLY A 16 11.168 -3.336 5.643 1.00 63.24 C ATOM 221 O GLY A 16 11.052 -2.120 5.829 1.00 5.13 O ATOM 0 H GLY A 16 11.008 -6.333 6.646 1.00 23.00 H new ATOM 0 HA2 GLY A 16 9.578 -4.765 5.891 1.00 41.11 H new ATOM 0 HA3 GLY A 16 9.892 -3.793 7.315 1.00 41.11 H new ATOM 225 N ALA A 17 11.986 -3.862 4.705 1.00 32.34 N ATOM 226 CA ALA A 17 12.813 -3.029 3.787 1.00 11.40 C ATOM 227 C ALA A 17 11.961 -2.368 2.672 1.00 52.22 C ATOM 228 O ALA A 17 10.805 -2.715 2.491 1.00 63.53 O ATOM 229 CB ALA A 17 13.933 -3.886 3.185 1.00 73.51 C ATOM 0 H ALA A 17 12.095 -4.866 4.559 1.00 32.34 H new ATOM 0 HA ALA A 17 13.251 -2.218 4.368 1.00 11.40 H new ATOM 0 HB1 ALA A 17 14.537 -3.276 2.514 1.00 73.51 H new ATOM 0 HB2 ALA A 17 14.562 -4.277 3.985 1.00 73.51 H new ATOM 0 HB3 ALA A 17 13.497 -4.715 2.628 1.00 73.51 H new ATOM 235 N GLN A 18 12.535 -1.401 1.938 1.00 32.00 N ATOM 236 CA GLN A 18 11.815 -0.707 0.836 1.00 71.54 C ATOM 237 C GLN A 18 11.881 -1.526 -0.482 1.00 50.21 C ATOM 238 O GLN A 18 12.970 -1.819 -0.983 1.00 75.33 O ATOM 239 CB GLN A 18 12.404 0.715 0.621 1.00 43.34 C ATOM 240 CG GLN A 18 11.674 1.559 -0.457 1.00 2.02 C ATOM 241 CD GLN A 18 12.254 2.969 -0.638 1.00 2.40 C ATOM 242 OE1 GLN A 18 12.772 3.568 0.298 1.00 14.30 O ATOM 243 NE2 GLN A 18 12.154 3.519 -1.837 1.00 65.25 N ATOM 0 H GLN A 18 13.492 -1.077 2.080 1.00 32.00 H new ATOM 0 HA GLN A 18 10.767 -0.616 1.121 1.00 71.54 H new ATOM 0 HB2 GLN A 18 12.373 1.254 1.568 1.00 43.34 H new ATOM 0 HB3 GLN A 18 13.453 0.621 0.341 1.00 43.34 H new ATOM 0 HG2 GLN A 18 11.720 1.032 -1.410 1.00 2.02 H new ATOM 0 HG3 GLN A 18 10.621 1.641 -0.189 1.00 2.02 H new ATOM 0 HE21 GLN A 18 11.719 3.001 -2.601 1.00 65.25 H new ATOM 0 HE22 GLN A 18 12.512 4.461 -1.998 1.00 65.25 H new ATOM 252 N VAL A 19 10.705 -1.908 -1.016 1.00 43.40 N ATOM 253 CA VAL A 19 10.577 -2.572 -2.338 1.00 1.42 C ATOM 254 C VAL A 19 10.113 -1.528 -3.387 1.00 40.12 C ATOM 255 O VAL A 19 8.957 -1.082 -3.360 1.00 23.30 O ATOM 256 CB VAL A 19 9.557 -3.776 -2.292 1.00 54.34 C ATOM 257 CG1 VAL A 19 9.483 -4.519 -3.653 1.00 74.42 C ATOM 258 CG2 VAL A 19 9.897 -4.756 -1.145 1.00 13.31 C ATOM 0 H VAL A 19 9.811 -1.767 -0.545 1.00 43.40 H new ATOM 0 HA VAL A 19 11.551 -2.977 -2.614 1.00 1.42 H new ATOM 0 HB VAL A 19 8.571 -3.355 -2.094 1.00 54.34 H new ATOM 0 HG11 VAL A 19 8.771 -5.341 -3.581 1.00 74.42 H new ATOM 0 HG12 VAL A 19 9.159 -3.825 -4.429 1.00 74.42 H new ATOM 0 HG13 VAL A 19 10.467 -4.913 -3.906 1.00 74.42 H new ATOM 0 HG21 VAL A 19 9.177 -5.574 -1.140 1.00 13.31 H new ATOM 0 HG22 VAL A 19 10.900 -5.157 -1.294 1.00 13.31 H new ATOM 0 HG23 VAL A 19 9.855 -4.229 -0.192 1.00 13.31 H new ATOM 268 N GLY A 20 11.026 -1.132 -4.288 1.00 50.11 N ATOM 269 CA GLY A 20 10.748 -0.093 -5.289 1.00 4.55 C ATOM 270 C GLY A 20 10.880 1.326 -4.725 1.00 32.40 C ATOM 271 O GLY A 20 11.950 1.698 -4.222 1.00 54.11 O ATOM 0 H GLY A 20 11.968 -1.519 -4.342 1.00 50.11 H new ATOM 0 HA2 GLY A 20 11.434 -0.211 -6.128 1.00 4.55 H new ATOM 0 HA3 GLY A 20 9.740 -0.232 -5.679 1.00 4.55 H new ATOM 275 N ASP A 21 9.786 2.113 -4.791 1.00 71.15 N ATOM 276 CA ASP A 21 9.762 3.519 -4.325 1.00 13.31 C ATOM 277 C ASP A 21 8.362 3.905 -3.764 1.00 13.13 C ATOM 278 O ASP A 21 7.362 3.222 -4.026 1.00 55.13 O ATOM 279 CB ASP A 21 10.199 4.451 -5.496 1.00 25.43 C ATOM 280 CG ASP A 21 10.350 5.933 -5.112 1.00 24.33 C ATOM 281 OD1 ASP A 21 10.940 6.229 -4.049 1.00 2.43 O ATOM 282 OD2 ASP A 21 9.865 6.810 -5.859 1.00 13.22 O ATOM 0 H ASP A 21 8.894 1.794 -5.168 1.00 71.15 H new ATOM 0 HA ASP A 21 10.466 3.640 -3.501 1.00 13.31 H new ATOM 0 HB2 ASP A 21 11.149 4.093 -5.893 1.00 25.43 H new ATOM 0 HB3 ASP A 21 9.467 4.370 -6.300 1.00 25.43 H new ATOM 287 N ILE A 22 8.312 5.005 -2.984 1.00 10.31 N ATOM 288 CA ILE A 22 7.084 5.476 -2.303 1.00 22.24 C ATOM 289 C ILE A 22 6.116 6.151 -3.316 1.00 44.14 C ATOM 290 O ILE A 22 6.520 7.010 -4.109 1.00 2.21 O ATOM 291 CB ILE A 22 7.396 6.479 -1.111 1.00 2.14 C ATOM 292 CG1 ILE A 22 8.318 5.826 -0.015 1.00 13.43 C ATOM 293 CG2 ILE A 22 6.089 7.004 -0.456 1.00 43.51 C ATOM 294 CD1 ILE A 22 9.790 5.708 -0.371 1.00 15.41 C ATOM 0 H ILE A 22 9.125 5.595 -2.807 1.00 10.31 H new ATOM 0 HA ILE A 22 6.608 4.593 -1.877 1.00 22.24 H new ATOM 0 HB ILE A 22 7.933 7.321 -1.548 1.00 2.14 H new ATOM 0 HG12 ILE A 22 8.231 6.411 0.901 1.00 13.43 H new ATOM 0 HG13 ILE A 22 7.937 4.829 0.206 1.00 13.43 H new ATOM 0 HG21 ILE A 22 6.338 7.688 0.356 1.00 43.51 H new ATOM 0 HG22 ILE A 22 5.493 7.529 -1.203 1.00 43.51 H new ATOM 0 HG23 ILE A 22 5.517 6.164 -0.061 1.00 43.51 H new ATOM 0 HD11 ILE A 22 10.328 5.245 0.456 1.00 15.41 H new ATOM 0 HD12 ILE A 22 9.900 5.094 -1.265 1.00 15.41 H new ATOM 0 HD13 ILE A 22 10.199 6.700 -0.560 1.00 15.41 H new ATOM 306 N VAL A 23 4.834 5.753 -3.254 1.00 32.13 N ATOM 307 CA VAL A 23 3.767 6.227 -4.159 1.00 33.32 C ATOM 308 C VAL A 23 2.831 7.215 -3.409 1.00 23.24 C ATOM 309 O VAL A 23 2.132 6.819 -2.480 1.00 54.12 O ATOM 310 CB VAL A 23 2.931 4.998 -4.697 1.00 24.44 C ATOM 311 CG1 VAL A 23 1.800 5.434 -5.661 1.00 45.23 C ATOM 312 CG2 VAL A 23 3.851 3.939 -5.356 1.00 61.31 C ATOM 0 H VAL A 23 4.502 5.081 -2.562 1.00 32.13 H new ATOM 0 HA VAL A 23 4.224 6.744 -5.003 1.00 33.32 H new ATOM 0 HB VAL A 23 2.452 4.539 -3.832 1.00 24.44 H new ATOM 0 HG11 VAL A 23 1.255 4.555 -6.003 1.00 45.23 H new ATOM 0 HG12 VAL A 23 1.117 6.105 -5.140 1.00 45.23 H new ATOM 0 HG13 VAL A 23 2.232 5.950 -6.519 1.00 45.23 H new ATOM 0 HG21 VAL A 23 3.247 3.106 -5.716 1.00 61.31 H new ATOM 0 HG22 VAL A 23 4.383 4.390 -6.193 1.00 61.31 H new ATOM 0 HG23 VAL A 23 4.570 3.575 -4.622 1.00 61.31 H new ATOM 322 N THR A 24 2.838 8.501 -3.800 1.00 63.31 N ATOM 323 CA THR A 24 1.921 9.522 -3.228 1.00 55.13 C ATOM 324 C THR A 24 0.789 9.870 -4.215 1.00 54.33 C ATOM 325 O THR A 24 1.040 10.138 -5.393 1.00 33.34 O ATOM 326 CB THR A 24 2.669 10.841 -2.831 1.00 54.32 C ATOM 327 OG1 THR A 24 3.428 11.334 -3.946 1.00 72.20 O ATOM 328 CG2 THR A 24 3.599 10.640 -1.623 1.00 51.41 C ATOM 0 H THR A 24 3.469 8.867 -4.513 1.00 63.31 H new ATOM 0 HA THR A 24 1.501 9.077 -2.326 1.00 55.13 H new ATOM 0 HB THR A 24 1.909 11.569 -2.548 1.00 54.32 H new ATOM 0 HG1 THR A 24 2.994 11.064 -4.782 1.00 72.20 H new ATOM 0 HG21 THR A 24 4.095 11.581 -1.385 1.00 51.41 H new ATOM 0 HG22 THR A 24 3.014 10.311 -0.764 1.00 51.41 H new ATOM 0 HG23 THR A 24 4.348 9.885 -1.862 1.00 51.41 H new ATOM 336 N VAL A 25 -0.462 9.855 -3.717 1.00 51.20 N ATOM 337 CA VAL A 25 -1.654 10.322 -4.470 1.00 14.01 C ATOM 338 C VAL A 25 -2.218 11.603 -3.799 1.00 35.42 C ATOM 339 O VAL A 25 -2.275 11.689 -2.576 1.00 41.33 O ATOM 340 CB VAL A 25 -2.755 9.186 -4.568 1.00 25.42 C ATOM 341 CG1 VAL A 25 -2.270 8.022 -5.473 1.00 54.33 C ATOM 342 CG2 VAL A 25 -3.143 8.643 -3.169 1.00 72.41 C ATOM 0 H VAL A 25 -0.681 9.519 -2.779 1.00 51.20 H new ATOM 0 HA VAL A 25 -1.357 10.562 -5.491 1.00 14.01 H new ATOM 0 HB VAL A 25 -3.642 9.635 -5.015 1.00 25.42 H new ATOM 0 HG11 VAL A 25 -3.043 7.255 -5.525 1.00 54.33 H new ATOM 0 HG12 VAL A 25 -2.067 8.400 -6.475 1.00 54.33 H new ATOM 0 HG13 VAL A 25 -1.359 7.592 -5.056 1.00 54.33 H new ATOM 0 HG21 VAL A 25 -3.900 7.866 -3.277 1.00 72.41 H new ATOM 0 HG22 VAL A 25 -2.261 8.225 -2.683 1.00 72.41 H new ATOM 0 HG23 VAL A 25 -3.541 9.455 -2.561 1.00 72.41 H new ATOM 352 N THR A 26 -2.632 12.601 -4.604 1.00 43.03 N ATOM 353 CA THR A 26 -3.028 13.947 -4.098 1.00 44.44 C ATOM 354 C THR A 26 -4.563 14.156 -4.144 1.00 25.22 C ATOM 355 O THR A 26 -5.236 13.730 -5.089 1.00 53.21 O ATOM 356 CB THR A 26 -2.316 15.087 -4.914 1.00 11.22 C ATOM 357 OG1 THR A 26 -0.886 14.891 -4.890 1.00 64.50 O ATOM 358 CG2 THR A 26 -2.637 16.496 -4.369 1.00 10.32 C ATOM 0 H THR A 26 -2.704 12.507 -5.617 1.00 43.03 H new ATOM 0 HA THR A 26 -2.709 13.997 -3.057 1.00 44.44 H new ATOM 0 HB THR A 26 -2.695 15.028 -5.934 1.00 11.22 H new ATOM 0 HG1 THR A 26 -0.449 15.604 -5.402 1.00 64.50 H new ATOM 0 HG21 THR A 26 -2.120 17.245 -4.969 1.00 10.32 H new ATOM 0 HG22 THR A 26 -3.712 16.670 -4.420 1.00 10.32 H new ATOM 0 HG23 THR A 26 -2.306 16.569 -3.333 1.00 10.32 H new ATOM 366 N GLY A 27 -5.094 14.829 -3.107 1.00 25.34 N ATOM 367 CA GLY A 27 -6.516 15.180 -3.016 1.00 13.54 C ATOM 368 C GLY A 27 -6.800 16.065 -1.797 1.00 10.24 C ATOM 369 O GLY A 27 -6.063 17.013 -1.541 1.00 0.41 O ATOM 0 H GLY A 27 -4.544 15.144 -2.308 1.00 25.34 H new ATOM 0 HA2 GLY A 27 -6.822 15.700 -3.924 1.00 13.54 H new ATOM 0 HA3 GLY A 27 -7.113 14.270 -2.953 1.00 13.54 H new ATOM 373 N LYS A 28 -7.859 15.752 -1.033 1.00 5.11 N ATOM 374 CA LYS A 28 -8.211 16.493 0.208 1.00 25.50 C ATOM 375 C LYS A 28 -8.765 15.517 1.269 1.00 12.25 C ATOM 376 O LYS A 28 -9.266 14.450 0.917 1.00 11.12 O ATOM 377 CB LYS A 28 -9.244 17.612 -0.114 1.00 61.33 C ATOM 378 CG LYS A 28 -9.638 18.507 1.088 1.00 11.51 C ATOM 379 CD LYS A 28 -10.619 19.642 0.716 1.00 20.31 C ATOM 380 CE LYS A 28 -11.943 19.128 0.124 1.00 72.44 C ATOM 381 NZ LYS A 28 -12.873 20.240 -0.200 1.00 2.53 N ATOM 0 H LYS A 28 -8.496 14.985 -1.248 1.00 5.11 H new ATOM 0 HA LYS A 28 -7.314 16.962 0.612 1.00 25.50 H new ATOM 0 HB2 LYS A 28 -8.836 18.246 -0.901 1.00 61.33 H new ATOM 0 HB3 LYS A 28 -10.146 17.149 -0.513 1.00 61.33 H new ATOM 0 HG2 LYS A 28 -10.090 17.885 1.861 1.00 11.51 H new ATOM 0 HG3 LYS A 28 -8.736 18.943 1.517 1.00 11.51 H new ATOM 0 HD2 LYS A 28 -10.832 20.235 1.605 1.00 20.31 H new ATOM 0 HD3 LYS A 28 -10.140 20.306 -0.003 1.00 20.31 H new ATOM 0 HE2 LYS A 28 -11.738 18.552 -0.778 1.00 72.44 H new ATOM 0 HE3 LYS A 28 -12.419 18.451 0.833 1.00 72.44 H new ATOM 0 HZ1 LYS A 28 -13.753 19.852 -0.596 1.00 2.53 H new ATOM 0 HZ2 LYS A 28 -13.089 20.775 0.665 1.00 2.53 H new ATOM 0 HZ3 LYS A 28 -12.429 20.872 -0.896 1.00 2.53 H new ATOM 395 N THR A 29 -8.663 15.903 2.559 1.00 30.15 N ATOM 396 CA THR A 29 -9.123 15.090 3.727 1.00 3.35 C ATOM 397 C THR A 29 -10.580 14.548 3.608 1.00 1.12 C ATOM 398 O THR A 29 -10.904 13.489 4.152 1.00 72.33 O ATOM 399 CB THR A 29 -9.006 15.907 5.059 1.00 42.42 C ATOM 400 OG1 THR A 29 -9.793 17.112 4.962 1.00 33.31 O ATOM 401 CG2 THR A 29 -7.542 16.271 5.393 1.00 32.50 C ATOM 0 H THR A 29 -8.255 16.797 2.832 1.00 30.15 H new ATOM 0 HA THR A 29 -8.458 14.226 3.736 1.00 3.35 H new ATOM 0 HB THR A 29 -9.382 15.276 5.864 1.00 42.42 H new ATOM 0 HG1 THR A 29 -9.719 17.619 5.797 1.00 33.31 H new ATOM 0 HG21 THR A 29 -7.511 16.837 6.324 1.00 32.50 H new ATOM 0 HG22 THR A 29 -6.956 15.358 5.503 1.00 32.50 H new ATOM 0 HG23 THR A 29 -7.124 16.875 4.588 1.00 32.50 H new ATOM 409 N ASP A 30 -11.437 15.297 2.897 1.00 63.23 N ATOM 410 CA ASP A 30 -12.872 14.973 2.716 1.00 50.23 C ATOM 411 C ASP A 30 -13.101 13.879 1.626 1.00 2.14 C ATOM 412 O ASP A 30 -14.145 13.212 1.610 1.00 54.33 O ATOM 413 CB ASP A 30 -13.613 16.292 2.365 1.00 11.23 C ATOM 414 CG ASP A 30 -15.132 16.134 2.221 1.00 63.21 C ATOM 415 OD1 ASP A 30 -15.811 15.900 3.242 1.00 63.35 O ATOM 416 OD2 ASP A 30 -15.657 16.258 1.096 1.00 73.34 O ATOM 0 H ASP A 30 -11.156 16.156 2.424 1.00 63.23 H new ATOM 0 HA ASP A 30 -13.268 14.550 3.639 1.00 50.23 H new ATOM 0 HB2 ASP A 30 -13.407 17.030 3.140 1.00 11.23 H new ATOM 0 HB3 ASP A 30 -13.209 16.687 1.433 1.00 11.23 H new ATOM 421 N ASP A 31 -12.106 13.689 0.741 1.00 40.32 N ATOM 422 CA ASP A 31 -12.226 12.816 -0.450 1.00 23.35 C ATOM 423 C ASP A 31 -11.512 11.448 -0.255 1.00 75.21 C ATOM 424 O ASP A 31 -10.592 11.313 0.556 1.00 30.33 O ATOM 425 CB ASP A 31 -11.652 13.564 -1.675 1.00 43.10 C ATOM 426 CG ASP A 31 -11.879 12.832 -3.011 1.00 22.34 C ATOM 427 OD1 ASP A 31 -13.048 12.733 -3.446 1.00 41.41 O ATOM 428 OD2 ASP A 31 -10.903 12.338 -3.610 1.00 4.31 O ATOM 0 H ASP A 31 -11.193 14.135 0.828 1.00 40.32 H new ATOM 0 HA ASP A 31 -13.281 12.592 -0.608 1.00 23.35 H new ATOM 0 HB2 ASP A 31 -12.107 14.553 -1.731 1.00 43.10 H new ATOM 0 HB3 ASP A 31 -10.582 13.713 -1.530 1.00 43.10 H new ATOM 433 N SER A 32 -11.948 10.447 -1.047 1.00 5.30 N ATOM 434 CA SER A 32 -11.374 9.081 -1.054 1.00 55.41 C ATOM 435 C SER A 32 -10.942 8.677 -2.487 1.00 32.05 C ATOM 436 O SER A 32 -11.497 9.166 -3.474 1.00 30.32 O ATOM 437 CB SER A 32 -12.413 8.060 -0.524 1.00 22.43 C ATOM 438 OG SER A 32 -12.908 8.426 0.758 1.00 32.22 O ATOM 0 H SER A 32 -12.717 10.563 -1.707 1.00 5.30 H new ATOM 0 HA SER A 32 -10.498 9.078 -0.405 1.00 55.41 H new ATOM 0 HB2 SER A 32 -13.243 7.988 -1.227 1.00 22.43 H new ATOM 0 HB3 SER A 32 -11.956 7.072 -0.468 1.00 22.43 H new ATOM 0 HG SER A 32 -13.561 7.760 1.059 1.00 32.22 H new ATOM 444 N THR A 33 -9.969 7.755 -2.582 1.00 13.13 N ATOM 445 CA THR A 33 -9.492 7.179 -3.875 1.00 11.33 C ATOM 446 C THR A 33 -9.252 5.657 -3.736 1.00 13.31 C ATOM 447 O THR A 33 -9.172 5.134 -2.623 1.00 63.32 O ATOM 448 CB THR A 33 -8.182 7.882 -4.404 1.00 11.40 C ATOM 449 OG1 THR A 33 -7.828 7.369 -5.706 1.00 25.35 O ATOM 450 CG2 THR A 33 -6.989 7.698 -3.445 1.00 61.21 C ATOM 0 H THR A 33 -9.482 7.379 -1.768 1.00 13.13 H new ATOM 0 HA THR A 33 -10.279 7.359 -4.608 1.00 11.33 H new ATOM 0 HB THR A 33 -8.401 8.948 -4.468 1.00 11.40 H new ATOM 0 HG1 THR A 33 -7.015 7.815 -6.023 1.00 25.35 H new ATOM 0 HG21 THR A 33 -6.112 8.200 -3.854 1.00 61.21 H new ATOM 0 HG22 THR A 33 -7.233 8.128 -2.474 1.00 61.21 H new ATOM 0 HG23 THR A 33 -6.777 6.635 -3.328 1.00 61.21 H new ATOM 458 N THR A 34 -9.180 4.940 -4.872 1.00 73.30 N ATOM 459 CA THR A 34 -8.893 3.481 -4.894 1.00 65.44 C ATOM 460 C THR A 34 -7.557 3.178 -5.612 1.00 14.11 C ATOM 461 O THR A 34 -7.195 3.831 -6.602 1.00 20.10 O ATOM 462 CB THR A 34 -10.053 2.665 -5.556 1.00 43.52 C ATOM 463 OG1 THR A 34 -9.742 1.259 -5.535 1.00 41.44 O ATOM 464 CG2 THR A 34 -10.340 3.108 -7.002 1.00 72.31 C ATOM 0 H THR A 34 -9.317 5.345 -5.798 1.00 73.30 H new ATOM 0 HA THR A 34 -8.809 3.166 -3.854 1.00 65.44 H new ATOM 0 HB THR A 34 -10.952 2.860 -4.971 1.00 43.52 H new ATOM 0 HG1 THR A 34 -10.474 0.756 -5.950 1.00 41.44 H new ATOM 0 HG21 THR A 34 -11.153 2.509 -7.412 1.00 72.31 H new ATOM 0 HG22 THR A 34 -10.625 4.160 -7.010 1.00 72.31 H new ATOM 0 HG23 THR A 34 -9.446 2.969 -7.609 1.00 72.31 H new ATOM 472 N TYR A 35 -6.838 2.164 -5.103 1.00 60.31 N ATOM 473 CA TYR A 35 -5.506 1.751 -5.611 1.00 40.22 C ATOM 474 C TYR A 35 -5.362 0.212 -5.548 1.00 53.24 C ATOM 475 O TYR A 35 -5.778 -0.417 -4.573 1.00 20.01 O ATOM 476 CB TYR A 35 -4.398 2.444 -4.766 1.00 53.42 C ATOM 477 CG TYR A 35 -2.949 2.082 -5.148 1.00 33.42 C ATOM 478 CD1 TYR A 35 -2.358 2.596 -6.306 1.00 44.25 C ATOM 479 CD2 TYR A 35 -2.165 1.235 -4.342 1.00 11.11 C ATOM 480 CE1 TYR A 35 -1.057 2.275 -6.650 1.00 4.54 C ATOM 481 CE2 TYR A 35 -0.866 0.917 -4.685 1.00 13.44 C ATOM 482 CZ TYR A 35 -0.316 1.441 -5.835 1.00 52.44 C ATOM 483 OH TYR A 35 0.982 1.126 -6.181 1.00 43.31 O ATOM 0 H TYR A 35 -7.163 1.598 -4.319 1.00 60.31 H new ATOM 0 HA TYR A 35 -5.402 2.056 -6.652 1.00 40.22 H new ATOM 0 HB2 TYR A 35 -4.520 3.524 -4.854 1.00 53.42 H new ATOM 0 HB3 TYR A 35 -4.553 2.190 -3.717 1.00 53.42 H new ATOM 0 HD1 TYR A 35 -2.928 3.256 -6.944 1.00 44.25 H new ATOM 0 HD2 TYR A 35 -2.588 0.826 -3.437 1.00 11.11 H new ATOM 0 HE1 TYR A 35 -0.622 2.675 -7.554 1.00 4.54 H new ATOM 0 HE2 TYR A 35 -0.284 0.261 -4.055 1.00 13.44 H new ATOM 0 HH TYR A 35 1.571 1.278 -5.413 1.00 43.31 H new ATOM 493 N THR A 36 -4.763 -0.387 -6.595 1.00 73.41 N ATOM 494 CA THR A 36 -4.535 -1.852 -6.671 1.00 5.13 C ATOM 495 C THR A 36 -3.076 -2.204 -6.297 1.00 23.11 C ATOM 496 O THR A 36 -2.129 -1.526 -6.709 1.00 53.04 O ATOM 497 CB THR A 36 -4.884 -2.418 -8.096 1.00 41.44 C ATOM 498 OG1 THR A 36 -6.263 -2.131 -8.401 1.00 72.35 O ATOM 499 CG2 THR A 36 -4.648 -3.944 -8.214 1.00 64.43 C ATOM 0 H THR A 36 -4.423 0.123 -7.410 1.00 73.41 H new ATOM 0 HA THR A 36 -5.203 -2.322 -5.949 1.00 5.13 H new ATOM 0 HB THR A 36 -4.216 -1.929 -8.805 1.00 41.44 H new ATOM 0 HG1 THR A 36 -6.481 -2.482 -9.290 1.00 72.35 H new ATOM 0 HG21 THR A 36 -4.907 -4.275 -9.220 1.00 64.43 H new ATOM 0 HG22 THR A 36 -3.599 -4.166 -8.017 1.00 64.43 H new ATOM 0 HG23 THR A 36 -5.272 -4.466 -7.488 1.00 64.43 H new ATOM 507 N VAL A 37 -2.923 -3.291 -5.529 1.00 34.24 N ATOM 508 CA VAL A 37 -1.625 -3.811 -5.075 1.00 23.32 C ATOM 509 C VAL A 37 -0.899 -4.552 -6.229 1.00 3.20 C ATOM 510 O VAL A 37 -1.496 -5.404 -6.901 1.00 5.23 O ATOM 511 CB VAL A 37 -1.823 -4.793 -3.858 1.00 55.14 C ATOM 512 CG1 VAL A 37 -0.482 -5.395 -3.380 1.00 0.04 C ATOM 513 CG2 VAL A 37 -2.569 -4.104 -2.685 1.00 3.15 C ATOM 0 H VAL A 37 -3.713 -3.845 -5.199 1.00 34.24 H new ATOM 0 HA VAL A 37 -1.013 -2.966 -4.758 1.00 23.32 H new ATOM 0 HB VAL A 37 -2.444 -5.615 -4.214 1.00 55.14 H new ATOM 0 HG11 VAL A 37 -0.663 -6.066 -2.540 1.00 0.04 H new ATOM 0 HG12 VAL A 37 -0.022 -5.952 -4.196 1.00 0.04 H new ATOM 0 HG13 VAL A 37 0.186 -4.593 -3.066 1.00 0.04 H new ATOM 0 HG21 VAL A 37 -2.688 -4.811 -1.864 1.00 3.15 H new ATOM 0 HG22 VAL A 37 -1.993 -3.244 -2.343 1.00 3.15 H new ATOM 0 HG23 VAL A 37 -3.551 -3.772 -3.023 1.00 3.15 H new ATOM 523 N THR A 38 0.389 -4.220 -6.442 1.00 63.02 N ATOM 524 CA THR A 38 1.246 -4.838 -7.482 1.00 61.20 C ATOM 525 C THR A 38 2.287 -5.777 -6.820 1.00 33.23 C ATOM 526 O THR A 38 3.179 -5.316 -6.099 1.00 10.32 O ATOM 527 CB THR A 38 1.970 -3.738 -8.338 1.00 10.14 C ATOM 528 OG1 THR A 38 2.742 -2.866 -7.492 1.00 54.15 O ATOM 529 CG2 THR A 38 0.962 -2.898 -9.146 1.00 53.44 C ATOM 0 H THR A 38 0.872 -3.509 -5.893 1.00 63.02 H new ATOM 0 HA THR A 38 0.612 -5.423 -8.149 1.00 61.20 H new ATOM 0 HB THR A 38 2.632 -4.253 -9.034 1.00 10.14 H new ATOM 0 HG1 THR A 38 3.109 -3.379 -6.742 1.00 54.15 H new ATOM 0 HG21 THR A 38 1.497 -2.147 -9.727 1.00 53.44 H new ATOM 0 HG22 THR A 38 0.404 -3.548 -9.820 1.00 53.44 H new ATOM 0 HG23 THR A 38 0.270 -2.404 -8.464 1.00 53.44 H new ATOM 537 N ILE A 39 2.151 -7.098 -7.052 1.00 63.20 N ATOM 538 CA ILE A 39 3.008 -8.136 -6.413 1.00 35.13 C ATOM 539 C ILE A 39 4.273 -8.431 -7.280 1.00 42.32 C ATOM 540 O ILE A 39 4.142 -8.957 -8.392 1.00 0.41 O ATOM 541 CB ILE A 39 2.192 -9.466 -6.172 1.00 45.14 C ATOM 542 CG1 ILE A 39 0.880 -9.178 -5.370 1.00 5.32 C ATOM 543 CG2 ILE A 39 3.052 -10.531 -5.446 1.00 15.41 C ATOM 544 CD1 ILE A 39 1.092 -8.575 -3.995 1.00 53.52 C ATOM 0 H ILE A 39 1.449 -7.482 -7.684 1.00 63.20 H new ATOM 0 HA ILE A 39 3.335 -7.748 -5.448 1.00 35.13 H new ATOM 0 HB ILE A 39 1.917 -9.866 -7.148 1.00 45.14 H new ATOM 0 HG12 ILE A 39 0.255 -8.503 -5.954 1.00 5.32 H new ATOM 0 HG13 ILE A 39 0.326 -10.110 -5.260 1.00 5.32 H new ATOM 0 HG21 ILE A 39 2.461 -11.435 -5.295 1.00 15.41 H new ATOM 0 HG22 ILE A 39 3.927 -10.767 -6.052 1.00 15.41 H new ATOM 0 HG23 ILE A 39 3.373 -10.142 -4.480 1.00 15.41 H new ATOM 0 HD11 ILE A 39 0.126 -8.411 -3.517 1.00 53.52 H new ATOM 0 HD12 ILE A 39 1.687 -9.256 -3.387 1.00 53.52 H new ATOM 0 HD13 ILE A 39 1.615 -7.624 -4.092 1.00 53.52 H new ATOM 556 N PRO A 40 5.515 -8.087 -6.790 1.00 5.31 N ATOM 557 CA PRO A 40 6.794 -8.314 -7.541 1.00 13.33 C ATOM 558 C PRO A 40 7.210 -9.812 -7.682 1.00 4.13 C ATOM 559 O PRO A 40 6.623 -10.707 -7.054 1.00 3.42 O ATOM 560 CB PRO A 40 7.850 -7.523 -6.703 1.00 12.24 C ATOM 561 CG PRO A 40 7.050 -6.657 -5.768 1.00 33.45 C ATOM 562 CD PRO A 40 5.781 -7.425 -5.490 1.00 54.04 C ATOM 0 HA PRO A 40 6.696 -7.984 -8.575 1.00 13.33 H new ATOM 0 HB2 PRO A 40 8.501 -8.201 -6.151 1.00 12.24 H new ATOM 0 HB3 PRO A 40 8.490 -6.920 -7.346 1.00 12.24 H new ATOM 0 HG2 PRO A 40 7.600 -6.462 -4.847 1.00 33.45 H new ATOM 0 HG3 PRO A 40 6.832 -5.689 -6.220 1.00 33.45 H new ATOM 0 HD2 PRO A 40 5.913 -8.149 -4.686 1.00 54.04 H new ATOM 0 HD3 PRO A 40 4.964 -6.766 -5.196 1.00 54.04 H new ATOM 570 N ASP A 41 8.256 -10.050 -8.511 1.00 14.12 N ATOM 571 CA ASP A 41 8.826 -11.398 -8.770 1.00 70.21 C ATOM 572 C ASP A 41 9.372 -12.064 -7.484 1.00 2.23 C ATOM 573 O ASP A 41 10.262 -11.517 -6.823 1.00 23.11 O ATOM 574 CB ASP A 41 9.966 -11.297 -9.817 1.00 20.11 C ATOM 575 CG ASP A 41 9.472 -10.784 -11.173 1.00 34.23 C ATOM 576 OD1 ASP A 41 9.384 -9.553 -11.359 1.00 14.54 O ATOM 577 OD2 ASP A 41 9.171 -11.611 -12.065 1.00 22.12 O ATOM 0 H ASP A 41 8.732 -9.307 -9.023 1.00 14.12 H new ATOM 0 HA ASP A 41 8.016 -12.021 -9.150 1.00 70.21 H new ATOM 0 HB2 ASP A 41 10.743 -10.631 -9.441 1.00 20.11 H new ATOM 0 HB3 ASP A 41 10.423 -12.278 -9.948 1.00 20.11 H new ATOM 582 N GLY A 42 8.819 -13.243 -7.145 1.00 41.50 N ATOM 583 CA GLY A 42 9.262 -14.023 -5.979 1.00 23.11 C ATOM 584 C GLY A 42 8.683 -13.538 -4.645 1.00 53.22 C ATOM 585 O GLY A 42 9.080 -14.031 -3.583 1.00 71.04 O ATOM 0 H GLY A 42 8.059 -13.677 -7.668 1.00 41.50 H new ATOM 0 HA2 GLY A 42 8.983 -15.066 -6.126 1.00 23.11 H new ATOM 0 HA3 GLY A 42 10.350 -13.989 -5.924 1.00 23.11 H new ATOM 589 N TYR A 43 7.749 -12.568 -4.687 1.00 31.54 N ATOM 590 CA TYR A 43 7.043 -12.065 -3.483 1.00 41.33 C ATOM 591 C TYR A 43 5.601 -12.611 -3.410 1.00 33.23 C ATOM 592 O TYR A 43 4.968 -12.864 -4.431 1.00 73.44 O ATOM 593 CB TYR A 43 7.002 -10.511 -3.465 1.00 61.12 C ATOM 594 CG TYR A 43 8.349 -9.816 -3.205 1.00 61.23 C ATOM 595 CD1 TYR A 43 9.360 -9.823 -4.165 1.00 22.41 C ATOM 596 CD2 TYR A 43 8.606 -9.141 -2.003 1.00 14.53 C ATOM 597 CE1 TYR A 43 10.564 -9.189 -3.945 1.00 15.14 C ATOM 598 CE2 TYR A 43 9.808 -8.499 -1.781 1.00 42.23 C ATOM 599 CZ TYR A 43 10.785 -8.528 -2.754 1.00 73.10 C ATOM 600 OH TYR A 43 11.983 -7.882 -2.546 1.00 51.32 O ATOM 0 H TYR A 43 7.460 -12.110 -5.551 1.00 31.54 H new ATOM 0 HA TYR A 43 7.601 -12.418 -2.616 1.00 41.33 H new ATOM 0 HB2 TYR A 43 6.613 -10.164 -4.422 1.00 61.12 H new ATOM 0 HB3 TYR A 43 6.295 -10.192 -2.699 1.00 61.12 H new ATOM 0 HD1 TYR A 43 9.196 -10.336 -5.101 1.00 22.41 H new ATOM 0 HD2 TYR A 43 7.847 -9.123 -1.234 1.00 14.53 H new ATOM 0 HE1 TYR A 43 11.333 -9.210 -4.703 1.00 15.14 H new ATOM 0 HE2 TYR A 43 9.982 -7.977 -0.851 1.00 42.23 H new ATOM 0 HH TYR A 43 12.253 -7.987 -1.610 1.00 51.32 H new ATOM 610 N GLU A 44 5.096 -12.767 -2.180 1.00 13.31 N ATOM 611 CA GLU A 44 3.708 -13.161 -1.893 1.00 54.30 C ATOM 612 C GLU A 44 3.029 -12.089 -1.016 1.00 51.10 C ATOM 613 O GLU A 44 3.658 -11.537 -0.109 1.00 12.43 O ATOM 614 CB GLU A 44 3.681 -14.536 -1.172 1.00 41.41 C ATOM 615 CG GLU A 44 4.175 -15.733 -2.012 1.00 74.23 C ATOM 616 CD GLU A 44 3.319 -15.985 -3.267 1.00 34.21 C ATOM 617 OE1 GLU A 44 2.126 -16.348 -3.120 1.00 1.40 O ATOM 618 OE2 GLU A 44 3.819 -15.813 -4.400 1.00 61.41 O ATOM 0 H GLU A 44 5.652 -12.620 -1.337 1.00 13.31 H new ATOM 0 HA GLU A 44 3.163 -13.248 -2.833 1.00 54.30 H new ATOM 0 HB2 GLU A 44 4.293 -14.468 -0.273 1.00 41.41 H new ATOM 0 HB3 GLU A 44 2.660 -14.738 -0.848 1.00 41.41 H new ATOM 0 HG2 GLU A 44 5.207 -15.556 -2.313 1.00 74.23 H new ATOM 0 HG3 GLU A 44 4.173 -16.630 -1.392 1.00 74.23 H new ATOM 625 N TYR A 45 1.751 -11.799 -1.297 1.00 45.41 N ATOM 626 CA TYR A 45 0.949 -10.823 -0.532 1.00 64.13 C ATOM 627 C TYR A 45 0.667 -11.322 0.912 1.00 23.43 C ATOM 628 O TYR A 45 0.094 -12.403 1.099 1.00 51.43 O ATOM 629 CB TYR A 45 -0.382 -10.567 -1.289 1.00 41.33 C ATOM 630 CG TYR A 45 -1.328 -9.536 -0.639 1.00 42.02 C ATOM 631 CD1 TYR A 45 -1.011 -8.171 -0.619 1.00 65.55 C ATOM 632 CD2 TYR A 45 -2.542 -9.930 -0.055 1.00 3.25 C ATOM 633 CE1 TYR A 45 -1.867 -7.250 -0.045 1.00 52.23 C ATOM 634 CE2 TYR A 45 -3.395 -9.010 0.516 1.00 24.44 C ATOM 635 CZ TYR A 45 -3.055 -7.675 0.520 1.00 34.23 C ATOM 636 OH TYR A 45 -3.904 -6.760 1.098 1.00 11.25 O ATOM 0 H TYR A 45 1.239 -12.235 -2.064 1.00 45.41 H new ATOM 0 HA TYR A 45 1.513 -9.894 -0.445 1.00 64.13 H new ATOM 0 HB2 TYR A 45 -0.147 -10.232 -2.299 1.00 41.33 H new ATOM 0 HB3 TYR A 45 -0.914 -11.514 -1.383 1.00 41.33 H new ATOM 0 HD1 TYR A 45 -0.084 -7.834 -1.059 1.00 65.55 H new ATOM 0 HD2 TYR A 45 -2.813 -10.975 -0.053 1.00 3.25 H new ATOM 0 HE1 TYR A 45 -1.609 -6.201 -0.038 1.00 52.23 H new ATOM 0 HE2 TYR A 45 -4.325 -9.334 0.958 1.00 24.44 H new ATOM 0 HH TYR A 45 -4.531 -6.424 0.424 1.00 11.25 H new ATOM 646 N VAL A 46 1.086 -10.533 1.921 1.00 1.40 N ATOM 647 CA VAL A 46 0.776 -10.811 3.343 1.00 13.34 C ATOM 648 C VAL A 46 -0.517 -10.071 3.755 1.00 23.25 C ATOM 649 O VAL A 46 -1.459 -10.680 4.286 1.00 71.34 O ATOM 650 CB VAL A 46 1.956 -10.378 4.296 1.00 25.23 C ATOM 651 CG1 VAL A 46 1.626 -10.651 5.787 1.00 53.41 C ATOM 652 CG2 VAL A 46 3.281 -11.065 3.892 1.00 15.32 C ATOM 0 H VAL A 46 1.644 -9.691 1.779 1.00 1.40 H new ATOM 0 HA VAL A 46 0.638 -11.887 3.445 1.00 13.34 H new ATOM 0 HB VAL A 46 2.081 -9.301 4.181 1.00 25.23 H new ATOM 0 HG11 VAL A 46 2.465 -10.338 6.409 1.00 53.41 H new ATOM 0 HG12 VAL A 46 0.735 -10.091 6.071 1.00 53.41 H new ATOM 0 HG13 VAL A 46 1.445 -11.716 5.931 1.00 53.41 H new ATOM 0 HG21 VAL A 46 4.076 -10.747 4.567 1.00 15.32 H new ATOM 0 HG22 VAL A 46 3.163 -12.147 3.954 1.00 15.32 H new ATOM 0 HG23 VAL A 46 3.539 -10.786 2.870 1.00 15.32 H new ATOM 662 N GLY A 47 -0.548 -8.750 3.504 1.00 62.53 N ATOM 663 CA GLY A 47 -1.705 -7.921 3.866 1.00 1.34 C ATOM 664 C GLY A 47 -1.433 -6.412 3.780 1.00 43.02 C ATOM 665 O GLY A 47 -0.286 -5.976 3.883 1.00 40.42 O ATOM 0 H GLY A 47 0.212 -8.239 3.054 1.00 62.53 H new ATOM 0 HA2 GLY A 47 -2.539 -8.169 3.209 1.00 1.34 H new ATOM 0 HA3 GLY A 47 -2.015 -8.168 4.881 1.00 1.34 H new ATOM 669 N THR A 48 -2.506 -5.617 3.602 1.00 72.24 N ATOM 670 CA THR A 48 -2.418 -4.135 3.526 1.00 34.05 C ATOM 671 C THR A 48 -2.626 -3.486 4.919 1.00 53.14 C ATOM 672 O THR A 48 -3.586 -3.800 5.629 1.00 53.32 O ATOM 673 CB THR A 48 -3.457 -3.558 2.504 1.00 53.22 C ATOM 674 OG1 THR A 48 -3.110 -3.978 1.172 1.00 53.14 O ATOM 675 CG2 THR A 48 -3.551 -2.019 2.537 1.00 12.14 C ATOM 0 H THR A 48 -3.456 -5.976 3.507 1.00 72.24 H new ATOM 0 HA THR A 48 -1.415 -3.889 3.178 1.00 34.05 H new ATOM 0 HB THR A 48 -4.432 -3.949 2.796 1.00 53.22 H new ATOM 0 HG1 THR A 48 -3.345 -4.922 1.055 1.00 53.14 H new ATOM 0 HG21 THR A 48 -4.287 -1.684 1.807 1.00 12.14 H new ATOM 0 HG22 THR A 48 -3.854 -1.694 3.533 1.00 12.14 H new ATOM 0 HG23 THR A 48 -2.579 -1.590 2.295 1.00 12.14 H new ATOM 683 N ASP A 49 -1.727 -2.558 5.272 1.00 74.31 N ATOM 684 CA ASP A 49 -1.718 -1.846 6.573 1.00 61.21 C ATOM 685 C ASP A 49 -2.116 -0.365 6.341 1.00 71.34 C ATOM 686 O ASP A 49 -1.909 0.163 5.247 1.00 60.20 O ATOM 687 CB ASP A 49 -0.290 -1.954 7.194 1.00 52.25 C ATOM 688 CG ASP A 49 -0.185 -1.725 8.717 1.00 12.54 C ATOM 689 OD1 ASP A 49 -1.086 -1.120 9.323 1.00 21.23 O ATOM 690 OD2 ASP A 49 0.813 -2.189 9.316 1.00 51.33 O ATOM 0 H ASP A 49 -0.968 -2.270 4.655 1.00 74.31 H new ATOM 0 HA ASP A 49 -2.434 -2.291 7.264 1.00 61.21 H new ATOM 0 HB2 ASP A 49 0.106 -2.944 6.969 1.00 52.25 H new ATOM 0 HB3 ASP A 49 0.355 -1.231 6.695 1.00 52.25 H new ATOM 695 N GLY A 50 -2.706 0.291 7.358 1.00 0.00 N ATOM 696 CA GLY A 50 -3.057 1.723 7.278 1.00 12.41 C ATOM 697 C GLY A 50 -4.412 1.990 6.613 1.00 72.42 C ATOM 698 O GLY A 50 -5.391 2.318 7.297 1.00 24.11 O ATOM 0 H GLY A 50 -2.950 -0.148 8.246 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.067 2.142 8.284 1.00 12.41 H new ATOM 0 HA3 GLY A 50 -2.280 2.248 6.722 1.00 12.41 H new ATOM 702 N GLY A 51 -4.471 1.832 5.276 1.00 74.34 N ATOM 703 CA GLY A 51 -5.704 2.074 4.503 1.00 74.23 C ATOM 704 C GLY A 51 -6.745 0.953 4.640 1.00 5.31 C ATOM 705 O GLY A 51 -6.510 -0.053 5.324 1.00 72.41 O ATOM 0 H GLY A 51 -3.677 1.537 4.708 1.00 74.34 H new ATOM 0 HA2 GLY A 51 -6.149 3.014 4.830 1.00 74.23 H new ATOM 0 HA3 GLY A 51 -5.446 2.192 3.451 1.00 74.23 H new ATOM 709 N VAL A 52 -7.905 1.125 3.982 1.00 75.34 N ATOM 710 CA VAL A 52 -9.015 0.140 4.030 1.00 43.14 C ATOM 711 C VAL A 52 -8.831 -0.924 2.918 1.00 12.34 C ATOM 712 O VAL A 52 -8.933 -0.605 1.741 1.00 5.51 O ATOM 713 CB VAL A 52 -10.423 0.838 3.869 1.00 52.42 C ATOM 714 CG1 VAL A 52 -11.585 -0.182 4.005 1.00 12.42 C ATOM 715 CG2 VAL A 52 -10.588 2.003 4.875 1.00 14.12 C ATOM 0 H VAL A 52 -8.105 1.942 3.405 1.00 75.34 H new ATOM 0 HA VAL A 52 -8.986 -0.341 5.008 1.00 43.14 H new ATOM 0 HB VAL A 52 -10.466 1.254 2.862 1.00 52.42 H new ATOM 0 HG11 VAL A 52 -12.538 0.334 3.889 1.00 12.42 H new ATOM 0 HG12 VAL A 52 -11.490 -0.947 3.234 1.00 12.42 H new ATOM 0 HG13 VAL A 52 -11.544 -0.651 4.988 1.00 12.42 H new ATOM 0 HG21 VAL A 52 -11.566 2.464 4.740 1.00 14.12 H new ATOM 0 HG22 VAL A 52 -10.504 1.620 5.892 1.00 14.12 H new ATOM 0 HG23 VAL A 52 -9.810 2.746 4.702 1.00 14.12 H new ATOM 725 N VAL A 53 -8.556 -2.184 3.296 1.00 52.12 N ATOM 726 CA VAL A 53 -8.341 -3.289 2.322 1.00 70.45 C ATOM 727 C VAL A 53 -9.646 -4.101 2.081 1.00 10.11 C ATOM 728 O VAL A 53 -10.431 -4.335 3.008 1.00 51.33 O ATOM 729 CB VAL A 53 -7.168 -4.228 2.798 1.00 61.50 C ATOM 730 CG1 VAL A 53 -7.441 -4.854 4.185 1.00 2.05 C ATOM 731 CG2 VAL A 53 -6.838 -5.312 1.743 1.00 34.45 C ATOM 0 H VAL A 53 -8.475 -2.472 4.271 1.00 52.12 H new ATOM 0 HA VAL A 53 -8.057 -2.843 1.369 1.00 70.45 H new ATOM 0 HB VAL A 53 -6.288 -3.594 2.905 1.00 61.50 H new ATOM 0 HG11 VAL A 53 -6.604 -5.492 4.467 1.00 2.05 H new ATOM 0 HG12 VAL A 53 -7.559 -4.062 4.925 1.00 2.05 H new ATOM 0 HG13 VAL A 53 -8.353 -5.450 4.142 1.00 2.05 H new ATOM 0 HG21 VAL A 53 -6.025 -5.939 2.108 1.00 34.45 H new ATOM 0 HG22 VAL A 53 -7.720 -5.928 1.566 1.00 34.45 H new ATOM 0 HG23 VAL A 53 -6.537 -4.833 0.811 1.00 34.45 H new ATOM 741 N SER A 54 -9.883 -4.503 0.811 1.00 15.24 N ATOM 742 CA SER A 54 -11.065 -5.320 0.422 1.00 55.12 C ATOM 743 C SER A 54 -10.861 -6.823 0.740 1.00 45.24 C ATOM 744 O SER A 54 -9.766 -7.246 1.130 1.00 12.00 O ATOM 745 CB SER A 54 -11.380 -5.140 -1.083 1.00 53.03 C ATOM 746 OG SER A 54 -11.648 -3.786 -1.412 1.00 62.32 O ATOM 0 H SER A 54 -9.268 -4.275 0.030 1.00 15.24 H new ATOM 0 HA SER A 54 -11.909 -4.964 1.013 1.00 55.12 H new ATOM 0 HB2 SER A 54 -10.537 -5.497 -1.675 1.00 53.03 H new ATOM 0 HB3 SER A 54 -12.240 -5.755 -1.349 1.00 53.03 H new ATOM 0 HG SER A 54 -11.360 -3.610 -2.332 1.00 62.32 H new ATOM 752 N SER A 55 -11.933 -7.620 0.533 1.00 74.54 N ATOM 753 CA SER A 55 -11.961 -9.072 0.860 1.00 20.23 C ATOM 754 C SER A 55 -10.913 -9.900 0.067 1.00 54.54 C ATOM 755 O SER A 55 -10.299 -10.821 0.620 1.00 32.54 O ATOM 756 CB SER A 55 -13.377 -9.645 0.609 1.00 14.51 C ATOM 757 OG SER A 55 -13.452 -11.023 0.932 1.00 42.25 O ATOM 0 H SER A 55 -12.807 -7.278 0.134 1.00 74.54 H new ATOM 0 HA SER A 55 -11.700 -9.157 1.915 1.00 20.23 H new ATOM 0 HB2 SER A 55 -14.104 -9.092 1.204 1.00 14.51 H new ATOM 0 HB3 SER A 55 -13.647 -9.502 -0.437 1.00 14.51 H new ATOM 0 HG SER A 55 -14.360 -11.350 0.762 1.00 42.25 H new ATOM 763 N ASP A 56 -10.718 -9.569 -1.228 1.00 63.33 N ATOM 764 CA ASP A 56 -9.764 -10.295 -2.117 1.00 51.23 C ATOM 765 C ASP A 56 -8.304 -9.775 -1.962 1.00 51.12 C ATOM 766 O ASP A 56 -7.367 -10.363 -2.515 1.00 60.32 O ATOM 767 CB ASP A 56 -10.226 -10.177 -3.594 1.00 20.53 C ATOM 768 CG ASP A 56 -11.719 -10.491 -3.773 1.00 21.52 C ATOM 769 OD1 ASP A 56 -12.079 -11.672 -3.951 1.00 64.23 O ATOM 770 OD2 ASP A 56 -12.545 -9.550 -3.715 1.00 53.44 O ATOM 0 H ASP A 56 -11.207 -8.802 -1.689 1.00 63.33 H new ATOM 0 HA ASP A 56 -9.765 -11.343 -1.817 1.00 51.23 H new ATOM 0 HB2 ASP A 56 -10.025 -9.168 -3.954 1.00 20.53 H new ATOM 0 HB3 ASP A 56 -9.639 -10.858 -4.210 1.00 20.53 H new ATOM 775 N GLY A 57 -8.129 -8.645 -1.235 1.00 51.43 N ATOM 776 CA GLY A 57 -6.793 -8.109 -0.897 1.00 74.03 C ATOM 777 C GLY A 57 -6.212 -7.114 -1.909 1.00 4.10 C ATOM 778 O GLY A 57 -5.544 -6.149 -1.523 1.00 61.14 O ATOM 0 H GLY A 57 -8.901 -8.087 -0.871 1.00 51.43 H new ATOM 0 HA2 GLY A 57 -6.851 -7.621 0.076 1.00 74.03 H new ATOM 0 HA3 GLY A 57 -6.100 -8.944 -0.794 1.00 74.03 H new ATOM 782 N LYS A 58 -6.468 -7.350 -3.206 1.00 21.11 N ATOM 783 CA LYS A 58 -5.853 -6.572 -4.312 1.00 61.32 C ATOM 784 C LYS A 58 -6.310 -5.087 -4.339 1.00 32.33 C ATOM 785 O LYS A 58 -5.492 -4.190 -4.533 1.00 12.21 O ATOM 786 CB LYS A 58 -6.169 -7.248 -5.670 1.00 44.20 C ATOM 787 CG LYS A 58 -5.686 -8.715 -5.782 1.00 23.41 C ATOM 788 CD LYS A 58 -5.970 -9.343 -7.169 1.00 14.32 C ATOM 789 CE LYS A 58 -5.233 -8.615 -8.311 1.00 43.23 C ATOM 790 NZ LYS A 58 -5.559 -9.189 -9.643 1.00 22.10 N ATOM 0 H LYS A 58 -7.104 -8.081 -3.524 1.00 21.11 H new ATOM 0 HA LYS A 58 -4.777 -6.567 -4.136 1.00 61.32 H new ATOM 0 HB2 LYS A 58 -7.246 -7.219 -5.834 1.00 44.20 H new ATOM 0 HB3 LYS A 58 -5.709 -6.665 -6.468 1.00 44.20 H new ATOM 0 HG2 LYS A 58 -4.615 -8.755 -5.584 1.00 23.41 H new ATOM 0 HG3 LYS A 58 -6.175 -9.312 -5.012 1.00 23.41 H new ATOM 0 HD2 LYS A 58 -5.670 -10.391 -7.158 1.00 14.32 H new ATOM 0 HD3 LYS A 58 -7.043 -9.321 -7.361 1.00 14.32 H new ATOM 0 HE2 LYS A 58 -5.499 -7.558 -8.297 1.00 43.23 H new ATOM 0 HE3 LYS A 58 -4.158 -8.675 -8.144 1.00 43.23 H new ATOM 0 HZ1 LYS A 58 -5.042 -8.670 -10.381 1.00 22.10 H new ATOM 0 HZ2 LYS A 58 -5.282 -10.191 -9.666 1.00 22.10 H new ATOM 0 HZ3 LYS A 58 -6.582 -9.108 -9.815 1.00 22.10 H new ATOM 804 N THR A 59 -7.611 -4.832 -4.139 1.00 53.54 N ATOM 805 CA THR A 59 -8.183 -3.461 -4.220 1.00 14.32 C ATOM 806 C THR A 59 -8.256 -2.806 -2.816 1.00 4.34 C ATOM 807 O THR A 59 -8.775 -3.399 -1.868 1.00 0.54 O ATOM 808 CB THR A 59 -9.598 -3.464 -4.894 1.00 20.44 C ATOM 809 OG1 THR A 59 -10.539 -4.212 -4.106 1.00 60.11 O ATOM 810 CG2 THR A 59 -9.544 -4.062 -6.313 1.00 33.45 C ATOM 0 H THR A 59 -8.297 -5.554 -3.919 1.00 53.54 H new ATOM 0 HA THR A 59 -7.515 -2.869 -4.846 1.00 14.32 H new ATOM 0 HB THR A 59 -9.922 -2.425 -4.960 1.00 20.44 H new ATOM 0 HG1 THR A 59 -11.416 -4.199 -4.544 1.00 60.11 H new ATOM 0 HG21 THR A 59 -10.542 -4.049 -6.752 1.00 33.45 H new ATOM 0 HG22 THR A 59 -8.868 -3.471 -6.931 1.00 33.45 H new ATOM 0 HG23 THR A 59 -9.184 -5.089 -6.261 1.00 33.45 H new ATOM 818 N VAL A 60 -7.711 -1.579 -2.694 1.00 51.55 N ATOM 819 CA VAL A 60 -7.605 -0.847 -1.404 1.00 34.42 C ATOM 820 C VAL A 60 -8.222 0.575 -1.516 1.00 41.14 C ATOM 821 O VAL A 60 -7.840 1.351 -2.395 1.00 41.02 O ATOM 822 CB VAL A 60 -6.092 -0.729 -0.951 1.00 23.35 C ATOM 823 CG1 VAL A 60 -5.942 0.042 0.388 1.00 1.04 C ATOM 824 CG2 VAL A 60 -5.419 -2.123 -0.857 1.00 12.30 C ATOM 0 H VAL A 60 -7.329 -1.062 -3.486 1.00 51.55 H new ATOM 0 HA VAL A 60 -8.161 -1.415 -0.658 1.00 34.42 H new ATOM 0 HB VAL A 60 -5.579 -0.153 -1.721 1.00 23.35 H new ATOM 0 HG11 VAL A 60 -4.888 0.098 0.659 1.00 1.04 H new ATOM 0 HG12 VAL A 60 -6.342 1.050 0.274 1.00 1.04 H new ATOM 0 HG13 VAL A 60 -6.491 -0.480 1.172 1.00 1.04 H new ATOM 0 HG21 VAL A 60 -4.382 -2.006 -0.544 1.00 12.30 H new ATOM 0 HG22 VAL A 60 -5.951 -2.735 -0.129 1.00 12.30 H new ATOM 0 HG23 VAL A 60 -5.451 -2.609 -1.832 1.00 12.30 H new ATOM 834 N THR A 61 -9.173 0.895 -0.618 1.00 45.10 N ATOM 835 CA THR A 61 -9.729 2.254 -0.470 1.00 53.10 C ATOM 836 C THR A 61 -8.798 3.113 0.417 1.00 12.23 C ATOM 837 O THR A 61 -8.701 2.897 1.630 1.00 32.20 O ATOM 838 CB THR A 61 -11.167 2.225 0.155 1.00 22.10 C ATOM 839 OG1 THR A 61 -12.024 1.369 -0.627 1.00 11.44 O ATOM 840 CG2 THR A 61 -11.799 3.635 0.250 1.00 73.00 C ATOM 0 H THR A 61 -9.578 0.217 0.027 1.00 45.10 H new ATOM 0 HA THR A 61 -9.800 2.692 -1.465 1.00 53.10 H new ATOM 0 HB THR A 61 -11.068 1.838 1.169 1.00 22.10 H new ATOM 0 HG1 THR A 61 -12.920 1.353 -0.231 1.00 11.44 H new ATOM 0 HG21 THR A 61 -12.794 3.559 0.689 1.00 73.00 H new ATOM 0 HG22 THR A 61 -11.174 4.273 0.875 1.00 73.00 H new ATOM 0 HG23 THR A 61 -11.875 4.068 -0.748 1.00 73.00 H new ATOM 848 N ILE A 62 -8.085 4.051 -0.217 1.00 44.13 N ATOM 849 CA ILE A 62 -7.162 4.992 0.459 1.00 32.52 C ATOM 850 C ILE A 62 -7.820 6.389 0.562 1.00 63.30 C ATOM 851 O ILE A 62 -8.101 7.022 -0.455 1.00 2.32 O ATOM 852 CB ILE A 62 -5.800 5.080 -0.326 1.00 73.41 C ATOM 853 CG1 ILE A 62 -5.205 3.648 -0.508 1.00 2.22 C ATOM 854 CG2 ILE A 62 -4.796 6.031 0.380 1.00 63.12 C ATOM 855 CD1 ILE A 62 -3.903 3.578 -1.280 1.00 35.14 C ATOM 0 H ILE A 62 -8.128 4.186 -1.227 1.00 44.13 H new ATOM 0 HA ILE A 62 -6.955 4.626 1.465 1.00 32.52 H new ATOM 0 HB ILE A 62 -5.992 5.505 -1.311 1.00 73.41 H new ATOM 0 HG12 ILE A 62 -5.047 3.211 0.478 1.00 2.22 H new ATOM 0 HG13 ILE A 62 -5.943 3.028 -1.017 1.00 2.22 H new ATOM 0 HG21 ILE A 62 -3.867 6.067 -0.189 1.00 63.12 H new ATOM 0 HG22 ILE A 62 -5.224 7.032 0.441 1.00 63.12 H new ATOM 0 HG23 ILE A 62 -4.591 5.662 1.385 1.00 63.12 H new ATOM 0 HD11 ILE A 62 -3.576 2.540 -1.349 1.00 35.14 H new ATOM 0 HD12 ILE A 62 -4.052 3.979 -2.282 1.00 35.14 H new ATOM 0 HD13 ILE A 62 -3.142 4.164 -0.764 1.00 35.14 H new ATOM 867 N THR A 63 -8.060 6.865 1.790 1.00 32.23 N ATOM 868 CA THR A 63 -8.737 8.162 2.035 1.00 62.42 C ATOM 869 C THR A 63 -7.733 9.169 2.605 1.00 4.21 C ATOM 870 O THR A 63 -7.173 8.925 3.670 1.00 11.42 O ATOM 871 CB THR A 63 -9.938 8.013 3.031 1.00 15.25 C ATOM 872 OG1 THR A 63 -10.855 7.018 2.536 1.00 1.02 O ATOM 873 CG2 THR A 63 -10.693 9.351 3.238 1.00 73.24 C ATOM 0 H THR A 63 -7.795 6.372 2.643 1.00 32.23 H new ATOM 0 HA THR A 63 -9.128 8.515 1.081 1.00 62.42 H new ATOM 0 HB THR A 63 -9.531 7.708 3.995 1.00 15.25 H new ATOM 0 HG1 THR A 63 -11.525 7.447 1.963 1.00 1.02 H new ATOM 0 HG21 THR A 63 -11.517 9.200 3.936 1.00 73.24 H new ATOM 0 HG22 THR A 63 -10.008 10.097 3.642 1.00 73.24 H new ATOM 0 HG23 THR A 63 -11.086 9.699 2.283 1.00 73.24 H new ATOM 881 N PHE A 64 -7.528 10.298 1.898 1.00 51.23 N ATOM 882 CA PHE A 64 -6.562 11.354 2.307 1.00 60.33 C ATOM 883 C PHE A 64 -6.879 11.831 3.747 1.00 74.05 C ATOM 884 O PHE A 64 -8.023 12.180 4.044 1.00 25.34 O ATOM 885 CB PHE A 64 -6.611 12.547 1.311 1.00 44.51 C ATOM 886 CG PHE A 64 -6.609 12.132 -0.162 1.00 31.23 C ATOM 887 CD1 PHE A 64 -5.439 11.724 -0.791 1.00 34.13 C ATOM 888 CD2 PHE A 64 -7.796 12.121 -0.908 1.00 13.41 C ATOM 889 CE1 PHE A 64 -5.453 11.325 -2.110 1.00 12.53 C ATOM 890 CE2 PHE A 64 -7.806 11.719 -2.225 1.00 5.34 C ATOM 891 CZ PHE A 64 -6.633 11.322 -2.827 1.00 5.22 C ATOM 0 H PHE A 64 -8.021 10.509 1.031 1.00 51.23 H new ATOM 0 HA PHE A 64 -5.555 10.938 2.291 1.00 60.33 H new ATOM 0 HB2 PHE A 64 -7.506 13.136 1.510 1.00 44.51 H new ATOM 0 HB3 PHE A 64 -5.755 13.196 1.496 1.00 44.51 H new ATOM 0 HD1 PHE A 64 -4.510 11.720 -0.241 1.00 34.13 H new ATOM 0 HD2 PHE A 64 -8.719 12.433 -0.442 1.00 13.41 H new ATOM 0 HE1 PHE A 64 -4.535 11.013 -2.586 1.00 12.53 H new ATOM 0 HE2 PHE A 64 -8.730 11.715 -2.784 1.00 5.34 H new ATOM 0 HZ PHE A 64 -6.636 11.008 -3.860 1.00 5.22 H new ATOM 901 N ALA A 65 -5.884 11.780 4.651 1.00 3.13 N ATOM 902 CA ALA A 65 -6.111 12.031 6.100 1.00 14.13 C ATOM 903 C ALA A 65 -5.184 13.118 6.671 1.00 41.52 C ATOM 904 O ALA A 65 -4.083 13.344 6.171 1.00 52.32 O ATOM 905 CB ALA A 65 -5.934 10.721 6.882 1.00 12.25 C ATOM 0 H ALA A 65 -4.915 11.569 4.412 1.00 3.13 H new ATOM 0 HA ALA A 65 -7.131 12.400 6.210 1.00 14.13 H new ATOM 0 HB1 ALA A 65 -6.100 10.905 7.943 1.00 12.25 H new ATOM 0 HB2 ALA A 65 -6.653 9.984 6.525 1.00 12.25 H new ATOM 0 HB3 ALA A 65 -4.923 10.343 6.734 1.00 12.25 H new ATOM 911 N ALA A 66 -5.669 13.797 7.729 1.00 4.43 N ATOM 912 CA ALA A 66 -4.848 14.692 8.570 1.00 72.02 C ATOM 913 C ALA A 66 -3.930 13.860 9.504 1.00 74.35 C ATOM 914 O ALA A 66 -2.829 14.293 9.861 1.00 55.31 O ATOM 915 CB ALA A 66 -5.757 15.633 9.383 1.00 71.02 C ATOM 0 H ALA A 66 -6.643 13.740 8.026 1.00 4.43 H new ATOM 0 HA ALA A 66 -4.212 15.301 7.927 1.00 72.02 H new ATOM 0 HB1 ALA A 66 -5.143 16.289 10.000 1.00 71.02 H new ATOM 0 HB2 ALA A 66 -6.360 16.234 8.702 1.00 71.02 H new ATOM 0 HB3 ALA A 66 -6.413 15.042 10.023 1.00 71.02 H new ATOM 921 N ASP A 67 -4.414 12.663 9.897 1.00 45.41 N ATOM 922 CA ASP A 67 -3.639 11.680 10.678 1.00 71.11 C ATOM 923 C ASP A 67 -2.710 10.859 9.755 1.00 52.15 C ATOM 924 O ASP A 67 -3.188 10.029 8.961 1.00 13.54 O ATOM 925 CB ASP A 67 -4.594 10.722 11.433 1.00 51.31 C ATOM 926 CG ASP A 67 -5.361 11.388 12.584 1.00 12.30 C ATOM 927 OD1 ASP A 67 -6.295 12.168 12.316 1.00 65.13 O ATOM 928 OD2 ASP A 67 -5.037 11.122 13.765 1.00 2.03 O ATOM 0 H ASP A 67 -5.360 12.351 9.679 1.00 45.41 H new ATOM 0 HA ASP A 67 -3.029 12.225 11.399 1.00 71.11 H new ATOM 0 HB2 ASP A 67 -5.310 10.306 10.725 1.00 51.31 H new ATOM 0 HB3 ASP A 67 -4.016 9.887 11.829 1.00 51.31 H new ATOM 933 N ASP A 68 -1.391 11.145 9.845 1.00 1.15 N ATOM 934 CA ASP A 68 -0.298 10.347 9.217 1.00 0.12 C ATOM 935 C ASP A 68 -0.402 10.288 7.660 1.00 44.44 C ATOM 936 O ASP A 68 0.212 9.416 7.024 1.00 54.14 O ATOM 937 CB ASP A 68 -0.264 8.923 9.839 1.00 65.35 C ATOM 938 CG ASP A 68 -0.133 8.949 11.371 1.00 64.54 C ATOM 939 OD1 ASP A 68 0.992 9.121 11.885 1.00 34.23 O ATOM 940 OD2 ASP A 68 -1.162 8.829 12.073 1.00 23.33 O ATOM 0 H ASP A 68 -1.044 11.951 10.365 1.00 1.15 H new ATOM 0 HA ASP A 68 0.643 10.854 9.430 1.00 0.12 H new ATOM 0 HB2 ASP A 68 -1.174 8.389 9.565 1.00 65.35 H new ATOM 0 HB3 ASP A 68 0.572 8.366 9.416 1.00 65.35 H new ATOM 945 N SER A 69 -1.171 11.245 7.072 1.00 30.33 N ATOM 946 CA SER A 69 -1.484 11.309 5.610 1.00 62.22 C ATOM 947 C SER A 69 -2.235 10.050 5.086 1.00 44.25 C ATOM 948 O SER A 69 -2.408 9.906 3.878 1.00 33.12 O ATOM 949 CB SER A 69 -0.198 11.563 4.768 1.00 2.40 C ATOM 950 OG SER A 69 0.434 12.781 5.142 1.00 5.24 O ATOM 0 H SER A 69 -1.598 12.004 7.603 1.00 30.33 H new ATOM 0 HA SER A 69 -2.162 12.154 5.487 1.00 62.22 H new ATOM 0 HB2 SER A 69 0.497 10.734 4.903 1.00 2.40 H new ATOM 0 HB3 SER A 69 -0.455 11.594 3.709 1.00 2.40 H new ATOM 0 HG SER A 69 1.239 12.913 4.598 1.00 5.24 H new ATOM 956 N ASP A 70 -2.727 9.193 6.014 1.00 63.15 N ATOM 957 CA ASP A 70 -3.226 7.827 5.715 1.00 20.00 C ATOM 958 C ASP A 70 -2.096 6.976 5.076 1.00 54.03 C ATOM 959 O ASP A 70 -2.112 6.673 3.875 1.00 40.21 O ATOM 960 CB ASP A 70 -4.518 7.856 4.843 1.00 23.43 C ATOM 961 CG ASP A 70 -5.327 6.545 4.880 1.00 52.50 C ATOM 962 OD1 ASP A 70 -5.864 6.214 5.964 1.00 31.33 O ATOM 963 OD2 ASP A 70 -5.456 5.855 3.842 1.00 54.41 O ATOM 0 H ASP A 70 -2.789 9.433 7.003 1.00 63.15 H new ATOM 0 HA ASP A 70 -3.513 7.351 6.653 1.00 20.00 H new ATOM 0 HB2 ASP A 70 -5.154 8.674 5.181 1.00 23.43 H new ATOM 0 HB3 ASP A 70 -4.243 8.072 3.811 1.00 23.43 H new ATOM 968 N ASN A 71 -1.067 6.684 5.892 1.00 63.40 N ATOM 969 CA ASN A 71 0.099 5.879 5.472 1.00 65.21 C ATOM 970 C ASN A 71 -0.284 4.388 5.264 1.00 73.41 C ATOM 971 O ASN A 71 -0.512 3.642 6.224 1.00 42.11 O ATOM 972 CB ASN A 71 1.282 6.031 6.479 1.00 44.43 C ATOM 973 CG ASN A 71 0.937 5.699 7.943 1.00 62.30 C ATOM 974 OD1 ASN A 71 -0.176 5.915 8.410 1.00 30.35 O ATOM 975 ND2 ASN A 71 1.894 5.156 8.673 1.00 63.24 N ATOM 0 H ASN A 71 -1.019 6.998 6.861 1.00 63.40 H new ATOM 0 HA ASN A 71 0.435 6.264 4.509 1.00 65.21 H new ATOM 0 HB2 ASN A 71 2.098 5.384 6.158 1.00 44.43 H new ATOM 0 HB3 ASN A 71 1.650 7.056 6.432 1.00 44.43 H new ATOM 0 HD21 ASN A 71 1.715 4.907 9.646 1.00 63.24 H new ATOM 0 HD22 ASN A 71 2.813 4.985 8.264 1.00 63.24 H new ATOM 982 N VAL A 72 -0.371 3.984 3.990 1.00 73.01 N ATOM 983 CA VAL A 72 -0.719 2.615 3.581 1.00 64.42 C ATOM 984 C VAL A 72 0.573 1.801 3.334 1.00 54.24 C ATOM 985 O VAL A 72 1.366 2.129 2.448 1.00 44.42 O ATOM 986 CB VAL A 72 -1.609 2.648 2.281 1.00 61.21 C ATOM 987 CG1 VAL A 72 -2.029 1.228 1.826 1.00 71.03 C ATOM 988 CG2 VAL A 72 -2.843 3.555 2.496 1.00 44.43 C ATOM 0 H VAL A 72 -0.199 4.608 3.202 1.00 73.01 H new ATOM 0 HA VAL A 72 -1.290 2.136 4.376 1.00 64.42 H new ATOM 0 HB VAL A 72 -1.005 3.069 1.478 1.00 61.21 H new ATOM 0 HG11 VAL A 72 -2.641 1.300 0.927 1.00 71.03 H new ATOM 0 HG12 VAL A 72 -1.139 0.636 1.613 1.00 71.03 H new ATOM 0 HG13 VAL A 72 -2.603 0.747 2.618 1.00 71.03 H new ATOM 0 HG21 VAL A 72 -3.448 3.567 1.589 1.00 44.43 H new ATOM 0 HG22 VAL A 72 -3.438 3.169 3.324 1.00 44.43 H new ATOM 0 HG23 VAL A 72 -2.514 4.568 2.727 1.00 44.43 H new ATOM 998 N VAL A 73 0.773 0.731 4.116 1.00 43.22 N ATOM 999 CA VAL A 73 1.988 -0.108 4.049 1.00 74.24 C ATOM 1000 C VAL A 73 1.626 -1.527 3.556 1.00 34.41 C ATOM 1001 O VAL A 73 0.978 -2.296 4.270 1.00 64.32 O ATOM 1002 CB VAL A 73 2.701 -0.182 5.456 1.00 30.25 C ATOM 1003 CG1 VAL A 73 3.979 -1.057 5.403 1.00 45.34 C ATOM 1004 CG2 VAL A 73 3.021 1.239 5.994 1.00 53.13 C ATOM 0 H VAL A 73 0.099 0.419 4.815 1.00 43.22 H new ATOM 0 HA VAL A 73 2.681 0.348 3.342 1.00 74.24 H new ATOM 0 HB VAL A 73 2.007 -0.658 6.149 1.00 30.25 H new ATOM 0 HG11 VAL A 73 4.442 -1.084 6.389 1.00 45.34 H new ATOM 0 HG12 VAL A 73 3.714 -2.069 5.098 1.00 45.34 H new ATOM 0 HG13 VAL A 73 4.680 -0.633 4.684 1.00 45.34 H new ATOM 0 HG21 VAL A 73 3.512 1.159 6.964 1.00 53.13 H new ATOM 0 HG22 VAL A 73 3.681 1.753 5.295 1.00 53.13 H new ATOM 0 HG23 VAL A 73 2.095 1.804 6.101 1.00 53.13 H new ATOM 1014 N ILE A 74 2.046 -1.867 2.334 1.00 11.55 N ATOM 1015 CA ILE A 74 1.758 -3.179 1.734 1.00 53.42 C ATOM 1016 C ILE A 74 2.825 -4.194 2.194 1.00 3.25 C ATOM 1017 O ILE A 74 3.987 -4.096 1.796 1.00 55.45 O ATOM 1018 CB ILE A 74 1.742 -3.113 0.164 1.00 25.41 C ATOM 1019 CG1 ILE A 74 0.849 -1.937 -0.364 1.00 11.12 C ATOM 1020 CG2 ILE A 74 1.292 -4.470 -0.429 1.00 21.22 C ATOM 1021 CD1 ILE A 74 -0.622 -2.008 0.011 1.00 70.11 C ATOM 0 H ILE A 74 2.591 -1.248 1.734 1.00 11.55 H new ATOM 0 HA ILE A 74 0.767 -3.491 2.065 1.00 53.42 H new ATOM 0 HB ILE A 74 2.760 -2.911 -0.170 1.00 25.41 H new ATOM 0 HG12 ILE A 74 1.256 -0.999 0.012 1.00 11.12 H new ATOM 0 HG13 ILE A 74 0.927 -1.905 -1.451 1.00 11.12 H new ATOM 0 HG21 ILE A 74 1.286 -4.408 -1.517 1.00 21.22 H new ATOM 0 HG22 ILE A 74 1.983 -5.252 -0.114 1.00 21.22 H new ATOM 0 HG23 ILE A 74 0.289 -4.708 -0.074 1.00 21.22 H new ATOM 0 HD11 ILE A 74 -1.145 -1.147 -0.405 1.00 70.11 H new ATOM 0 HD12 ILE A 74 -1.056 -2.924 -0.389 1.00 70.11 H new ATOM 0 HD13 ILE A 74 -0.721 -2.003 1.096 1.00 70.11 H new ATOM 1033 N HIS A 75 2.427 -5.160 3.031 1.00 42.00 N ATOM 1034 CA HIS A 75 3.351 -6.168 3.587 1.00 75.14 C ATOM 1035 C HIS A 75 3.524 -7.335 2.603 1.00 20.13 C ATOM 1036 O HIS A 75 2.528 -7.905 2.126 1.00 31.32 O ATOM 1037 CB HIS A 75 2.849 -6.675 4.959 1.00 43.14 C ATOM 1038 CG HIS A 75 2.916 -5.628 6.039 1.00 34.42 C ATOM 1039 ND1 HIS A 75 4.033 -5.436 6.824 1.00 63.11 N ATOM 1040 CD2 HIS A 75 2.016 -4.702 6.450 1.00 54.43 C ATOM 1041 CE1 HIS A 75 3.816 -4.448 7.666 1.00 61.01 C ATOM 1042 NE2 HIS A 75 2.603 -3.985 7.463 1.00 60.42 N ATOM 0 H HIS A 75 1.462 -5.269 3.343 1.00 42.00 H new ATOM 0 HA HIS A 75 4.323 -5.699 3.738 1.00 75.14 H new ATOM 0 HB2 HIS A 75 1.819 -7.018 4.858 1.00 43.14 H new ATOM 0 HB3 HIS A 75 3.444 -7.537 5.260 1.00 43.14 H new ATOM 0 HD1 HIS A 75 4.896 -5.977 6.762 1.00 63.11 H new ATOM 0 HD2 HIS A 75 1.022 -4.555 6.054 1.00 54.43 H new ATOM 0 HE1 HIS A 75 4.517 -4.080 8.400 1.00 61.01 H new ATOM 1051 N LEU A 76 4.790 -7.679 2.295 1.00 21.54 N ATOM 1052 CA LEU A 76 5.138 -8.747 1.337 1.00 63.20 C ATOM 1053 C LEU A 76 6.192 -9.706 1.937 1.00 65.24 C ATOM 1054 O LEU A 76 7.161 -9.272 2.569 1.00 3.35 O ATOM 1055 CB LEU A 76 5.692 -8.124 0.023 1.00 11.24 C ATOM 1056 CG LEU A 76 4.731 -7.164 -0.749 1.00 2.40 C ATOM 1057 CD1 LEU A 76 5.445 -6.484 -1.934 1.00 21.43 C ATOM 1058 CD2 LEU A 76 3.456 -7.904 -1.214 1.00 33.22 C ATOM 0 H LEU A 76 5.604 -7.222 2.706 1.00 21.54 H new ATOM 0 HA LEU A 76 4.233 -9.315 1.120 1.00 63.20 H new ATOM 0 HB2 LEU A 76 6.603 -7.576 0.262 1.00 11.24 H new ATOM 0 HB3 LEU A 76 5.975 -8.936 -0.647 1.00 11.24 H new ATOM 0 HG LEU A 76 4.426 -6.379 -0.057 1.00 2.40 H new ATOM 0 HD11 LEU A 76 4.747 -5.823 -2.449 1.00 21.43 H new ATOM 0 HD12 LEU A 76 6.290 -5.903 -1.565 1.00 21.43 H new ATOM 0 HD13 LEU A 76 5.803 -7.244 -2.628 1.00 21.43 H new ATOM 0 HD21 LEU A 76 2.807 -7.210 -1.748 1.00 33.22 H new ATOM 0 HD22 LEU A 76 3.733 -8.725 -1.876 1.00 33.22 H new ATOM 0 HD23 LEU A 76 2.928 -8.300 -0.346 1.00 33.22 H new ATOM 1070 N LYS A 77 6.002 -11.008 1.695 1.00 74.31 N ATOM 1071 CA LYS A 77 6.976 -12.065 2.050 1.00 53.33 C ATOM 1072 C LYS A 77 7.609 -12.641 0.768 1.00 74.41 C ATOM 1073 O LYS A 77 7.230 -12.267 -0.327 1.00 4.44 O ATOM 1074 CB LYS A 77 6.301 -13.187 2.886 1.00 31.11 C ATOM 1075 CG LYS A 77 5.134 -13.905 2.179 1.00 33.33 C ATOM 1076 CD LYS A 77 4.412 -14.924 3.093 1.00 74.31 C ATOM 1077 CE LYS A 77 3.203 -15.588 2.407 1.00 10.32 C ATOM 1078 NZ LYS A 77 2.456 -16.493 3.324 1.00 44.11 N ATOM 0 H LYS A 77 5.162 -11.369 1.243 1.00 74.31 H new ATOM 0 HA LYS A 77 7.761 -11.625 2.664 1.00 53.33 H new ATOM 0 HB2 LYS A 77 7.056 -13.926 3.153 1.00 31.11 H new ATOM 0 HB3 LYS A 77 5.934 -12.756 3.817 1.00 31.11 H new ATOM 0 HG2 LYS A 77 4.415 -13.163 1.831 1.00 33.33 H new ATOM 0 HG3 LYS A 77 5.512 -14.421 1.296 1.00 33.33 H new ATOM 0 HD2 LYS A 77 5.119 -15.695 3.400 1.00 74.31 H new ATOM 0 HD3 LYS A 77 4.078 -14.419 3.999 1.00 74.31 H new ATOM 0 HE2 LYS A 77 2.530 -14.815 2.036 1.00 10.32 H new ATOM 0 HE3 LYS A 77 3.546 -16.155 1.541 1.00 10.32 H new ATOM 0 HZ1 LYS A 77 1.652 -16.915 2.816 1.00 44.11 H new ATOM 0 HZ2 LYS A 77 3.089 -17.247 3.659 1.00 44.11 H new ATOM 0 HZ3 LYS A 77 2.104 -15.949 4.138 1.00 44.11 H new ATOM 1092 N HIS A 78 8.623 -13.501 0.910 1.00 53.34 N ATOM 1093 CA HIS A 78 9.193 -14.242 -0.235 1.00 24.31 C ATOM 1094 C HIS A 78 8.538 -15.632 -0.365 1.00 35.14 C ATOM 1095 O HIS A 78 8.471 -16.387 0.611 1.00 15.11 O ATOM 1096 CB HIS A 78 10.732 -14.377 -0.093 1.00 25.31 C ATOM 1097 CG HIS A 78 11.479 -13.062 -0.135 1.00 31.22 C ATOM 1098 ND1 HIS A 78 12.735 -12.894 0.399 1.00 14.41 N ATOM 1099 CD2 HIS A 78 11.134 -11.852 -0.653 1.00 1.54 C ATOM 1100 CE1 HIS A 78 13.131 -11.653 0.214 1.00 22.13 C ATOM 1101 NE2 HIS A 78 12.182 -10.998 -0.423 1.00 34.33 N ATOM 0 H HIS A 78 9.070 -13.705 1.804 1.00 53.34 H new ATOM 0 HA HIS A 78 8.982 -13.677 -1.143 1.00 24.31 H new ATOM 0 HB2 HIS A 78 10.956 -14.879 0.849 1.00 25.31 H new ATOM 0 HB3 HIS A 78 11.104 -15.018 -0.892 1.00 25.31 H new ATOM 0 HD2 HIS A 78 10.208 -11.609 -1.152 1.00 1.54 H new ATOM 0 HE1 HIS A 78 14.077 -11.240 0.532 1.00 22.13 H new ATOM 0 HE2 HIS A 78 12.220 -10.017 -0.700 1.00 34.33 H new ATOM 1110 N GLY A 79 8.050 -15.951 -1.577 1.00 34.40 N ATOM 1111 CA GLY A 79 7.594 -17.304 -1.899 1.00 22.40 C ATOM 1112 C GLY A 79 8.798 -18.175 -2.239 1.00 60.42 C ATOM 1113 O GLY A 79 9.148 -19.096 -1.497 1.00 12.15 O ATOM 0 H GLY A 79 7.964 -15.286 -2.346 1.00 34.40 H new ATOM 0 HA2 GLY A 79 7.051 -17.728 -1.054 1.00 22.40 H new ATOM 0 HA3 GLY A 79 6.902 -17.276 -2.741 1.00 22.40 H new ATOM 1117 N LEU A 80 9.438 -17.860 -3.378 1.00 71.13 N ATOM 1118 CA LEU A 80 10.799 -18.325 -3.707 1.00 13.04 C ATOM 1119 C LEU A 80 11.807 -17.543 -2.810 1.00 74.24 C ATOM 1120 O LEU A 80 11.902 -16.313 -2.911 1.00 10.43 O ATOM 1121 CB LEU A 80 11.056 -18.090 -5.237 1.00 24.21 C ATOM 1122 CG LEU A 80 12.129 -18.994 -5.950 1.00 23.14 C ATOM 1123 CD1 LEU A 80 12.070 -18.829 -7.485 1.00 43.22 C ATOM 1124 CD2 LEU A 80 13.563 -18.726 -5.448 1.00 53.05 C ATOM 0 H LEU A 80 9.024 -17.272 -4.102 1.00 71.13 H new ATOM 0 HA LEU A 80 10.923 -19.390 -3.512 1.00 13.04 H new ATOM 0 HB2 LEU A 80 10.108 -18.220 -5.759 1.00 24.21 H new ATOM 0 HB3 LEU A 80 11.353 -17.050 -5.370 1.00 24.21 H new ATOM 0 HG LEU A 80 11.877 -20.022 -5.691 1.00 23.14 H new ATOM 0 HD11 LEU A 80 12.823 -19.466 -7.949 1.00 43.22 H new ATOM 0 HD12 LEU A 80 11.081 -19.115 -7.844 1.00 43.22 H new ATOM 0 HD13 LEU A 80 12.264 -17.789 -7.747 1.00 43.22 H new ATOM 0 HD21 LEU A 80 14.260 -19.378 -5.974 1.00 53.05 H new ATOM 0 HD22 LEU A 80 13.826 -17.685 -5.637 1.00 53.05 H new ATOM 0 HD23 LEU A 80 13.617 -18.926 -4.378 1.00 53.05 H new ATOM 1136 N GLU A 81 12.543 -18.268 -1.941 1.00 42.23 N ATOM 1137 CA GLU A 81 13.456 -17.660 -0.928 1.00 33.13 C ATOM 1138 C GLU A 81 14.642 -16.884 -1.571 1.00 21.54 C ATOM 1139 O GLU A 81 15.111 -15.884 -1.002 1.00 54.45 O ATOM 1140 CB GLU A 81 13.989 -18.757 0.043 1.00 12.25 C ATOM 1141 CG GLU A 81 14.772 -19.900 -0.641 1.00 42.25 C ATOM 1142 CD GLU A 81 15.363 -20.920 0.353 1.00 45.51 C ATOM 1143 OE1 GLU A 81 14.658 -21.880 0.735 1.00 53.11 O ATOM 1144 OE2 GLU A 81 16.531 -20.766 0.760 1.00 30.25 O ATOM 0 H GLU A 81 12.527 -19.288 -1.915 1.00 42.23 H new ATOM 0 HA GLU A 81 12.869 -16.931 -0.370 1.00 33.13 H new ATOM 0 HB2 GLU A 81 14.635 -18.285 0.783 1.00 12.25 H new ATOM 0 HB3 GLU A 81 13.145 -19.186 0.583 1.00 12.25 H new ATOM 0 HG2 GLU A 81 14.110 -20.420 -1.333 1.00 42.25 H new ATOM 0 HG3 GLU A 81 15.580 -19.472 -1.234 1.00 42.25 H new ATOM 1151 N HIS A 82 15.103 -17.375 -2.749 1.00 72.44 N ATOM 1152 CA HIS A 82 16.223 -16.794 -3.538 1.00 30.45 C ATOM 1153 C HIS A 82 17.576 -16.892 -2.777 1.00 50.25 C ATOM 1154 O HIS A 82 17.839 -16.117 -1.847 1.00 63.04 O ATOM 1155 CB HIS A 82 15.910 -15.331 -3.985 1.00 33.52 C ATOM 1156 CG HIS A 82 16.934 -14.727 -4.918 1.00 21.10 C ATOM 1157 ND1 HIS A 82 16.872 -14.869 -6.284 1.00 4.24 N ATOM 1158 CD2 HIS A 82 18.037 -13.971 -4.677 1.00 43.13 C ATOM 1159 CE1 HIS A 82 17.880 -14.235 -6.839 1.00 33.54 C ATOM 1160 NE2 HIS A 82 18.608 -13.682 -5.892 1.00 12.31 N ATOM 0 H HIS A 82 14.699 -18.203 -3.187 1.00 72.44 H new ATOM 0 HA HIS A 82 16.326 -17.391 -4.444 1.00 30.45 H new ATOM 0 HB2 HIS A 82 14.937 -15.315 -4.475 1.00 33.52 H new ATOM 0 HB3 HIS A 82 15.831 -14.703 -3.098 1.00 33.52 H new ATOM 0 HD2 HIS A 82 18.398 -13.656 -3.709 1.00 43.13 H new ATOM 0 HE1 HIS A 82 18.079 -14.177 -7.899 1.00 33.54 H new ATOM 0 HE2 HIS A 82 19.454 -13.131 -6.036 1.00 12.31 H new ATOM 1169 N HIS A 83 18.434 -17.835 -3.206 1.00 2.24 N ATOM 1170 CA HIS A 83 19.733 -18.107 -2.549 1.00 62.42 C ATOM 1171 C HIS A 83 20.736 -16.944 -2.787 1.00 73.34 C ATOM 1172 O HIS A 83 21.370 -16.859 -3.845 1.00 35.32 O ATOM 1173 CB HIS A 83 20.309 -19.460 -3.054 1.00 51.35 C ATOM 1174 CG HIS A 83 21.566 -19.908 -2.340 1.00 44.02 C ATOM 1175 ND1 HIS A 83 22.813 -19.389 -2.612 1.00 42.14 N ATOM 1176 CD2 HIS A 83 21.757 -20.828 -1.361 1.00 62.14 C ATOM 1177 CE1 HIS A 83 23.708 -19.962 -1.833 1.00 64.22 C ATOM 1178 NE2 HIS A 83 23.097 -20.834 -1.065 1.00 72.24 N ATOM 0 H HIS A 83 18.251 -18.430 -4.014 1.00 2.24 H new ATOM 0 HA HIS A 83 19.571 -18.179 -1.473 1.00 62.42 H new ATOM 0 HB2 HIS A 83 19.547 -20.231 -2.941 1.00 51.35 H new ATOM 0 HB3 HIS A 83 20.521 -19.376 -4.120 1.00 51.35 H new ATOM 0 HD2 HIS A 83 20.996 -21.441 -0.901 1.00 62.14 H new ATOM 0 HE1 HIS A 83 24.767 -19.750 -1.827 1.00 64.22 H new ATOM 0 HE2 HIS A 83 23.546 -21.421 -0.362 1.00 72.24 H new ATOM 1187 N HIS A 84 20.838 -16.042 -1.796 1.00 50.11 N ATOM 1188 CA HIS A 84 21.800 -14.916 -1.800 1.00 52.23 C ATOM 1189 C HIS A 84 23.243 -15.443 -1.587 1.00 21.52 C ATOM 1190 O HIS A 84 23.448 -16.388 -0.813 1.00 32.21 O ATOM 1191 CB HIS A 84 21.404 -13.919 -0.676 1.00 5.21 C ATOM 1192 CG HIS A 84 22.194 -12.632 -0.646 1.00 61.12 C ATOM 1193 ND1 HIS A 84 21.844 -11.526 -1.388 1.00 71.42 N ATOM 1194 CD2 HIS A 84 23.299 -12.267 0.057 1.00 60.12 C ATOM 1195 CE1 HIS A 84 22.684 -10.546 -1.143 1.00 61.54 C ATOM 1196 NE2 HIS A 84 23.575 -10.968 -0.274 1.00 24.00 N ATOM 0 H HIS A 84 20.253 -16.070 -0.961 1.00 50.11 H new ATOM 0 HA HIS A 84 21.771 -14.405 -2.762 1.00 52.23 H new ATOM 0 HB2 HIS A 84 20.347 -13.675 -0.786 1.00 5.21 H new ATOM 0 HB3 HIS A 84 21.518 -14.418 0.286 1.00 5.21 H new ATOM 0 HD2 HIS A 84 23.854 -12.885 0.747 1.00 60.12 H new ATOM 0 HE1 HIS A 84 22.648 -9.560 -1.582 1.00 61.54 H new ATOM 0 HE2 HIS A 84 24.349 -10.415 0.095 1.00 24.00 H new ATOM 1205 N HIS A 85 24.228 -14.838 -2.280 1.00 42.35 N ATOM 1206 CA HIS A 85 25.645 -15.261 -2.186 1.00 21.20 C ATOM 1207 C HIS A 85 26.234 -14.879 -0.800 1.00 3.31 C ATOM 1208 O HIS A 85 26.447 -13.696 -0.524 1.00 11.10 O ATOM 1209 CB HIS A 85 26.468 -14.637 -3.344 1.00 5.34 C ATOM 1210 CG HIS A 85 27.843 -15.234 -3.530 1.00 42.32 C ATOM 1211 ND1 HIS A 85 29.013 -14.518 -3.392 1.00 0.35 N ATOM 1212 CD2 HIS A 85 28.222 -16.491 -3.876 1.00 20.21 C ATOM 1213 CE1 HIS A 85 30.045 -15.302 -3.644 1.00 61.12 C ATOM 1214 NE2 HIS A 85 29.591 -16.499 -3.936 1.00 52.13 N ATOM 0 H HIS A 85 24.071 -14.053 -2.913 1.00 42.35 H new ATOM 0 HA HIS A 85 25.699 -16.345 -2.282 1.00 21.20 H new ATOM 0 HB2 HIS A 85 25.908 -14.750 -4.272 1.00 5.34 H new ATOM 0 HB3 HIS A 85 26.572 -13.567 -3.163 1.00 5.34 H new ATOM 0 HD2 HIS A 85 27.567 -17.328 -4.068 1.00 20.21 H new ATOM 0 HE1 HIS A 85 31.084 -15.009 -3.615 1.00 61.12 H new ATOM 0 HE2 HIS A 85 30.167 -17.308 -4.171 1.00 52.13 H new ATOM 1223 N HIS A 86 26.439 -15.919 0.052 1.00 2.41 N ATOM 1224 CA HIS A 86 26.914 -15.841 1.475 1.00 73.13 C ATOM 1225 C HIS A 86 26.087 -14.895 2.399 1.00 11.55 C ATOM 1226 O HIS A 86 25.172 -14.189 1.964 1.00 63.33 O ATOM 1227 CB HIS A 86 28.458 -15.576 1.592 1.00 11.44 C ATOM 1228 CG HIS A 86 28.968 -14.273 1.016 1.00 71.01 C ATOM 1229 ND1 HIS A 86 29.678 -14.209 -0.163 1.00 72.31 N ATOM 1230 CD2 HIS A 86 28.861 -12.993 1.455 1.00 0.10 C ATOM 1231 CE1 HIS A 86 29.972 -12.951 -0.426 1.00 74.44 C ATOM 1232 NE2 HIS A 86 29.488 -12.196 0.531 1.00 34.04 N ATOM 0 H HIS A 86 26.272 -16.882 -0.240 1.00 2.41 H new ATOM 0 HA HIS A 86 26.725 -16.842 1.863 1.00 73.13 H new ATOM 0 HB2 HIS A 86 28.731 -15.612 2.647 1.00 11.44 H new ATOM 0 HB3 HIS A 86 28.982 -16.395 1.099 1.00 11.44 H new ATOM 0 HD2 HIS A 86 28.374 -12.664 2.361 1.00 0.10 H new ATOM 0 HE1 HIS A 86 30.521 -12.600 -1.287 1.00 74.44 H new ATOM 0 HE2 HIS A 86 29.565 -11.180 0.580 1.00 34.04 H new ATOM 1241 N HIS A 87 26.412 -14.942 3.708 1.00 51.14 N ATOM 1242 CA HIS A 87 25.755 -14.131 4.761 1.00 71.31 C ATOM 1243 C HIS A 87 26.813 -13.351 5.563 1.00 2.13 C ATOM 1244 O HIS A 87 27.792 -13.927 6.054 1.00 24.14 O ATOM 1245 CB HIS A 87 24.920 -15.038 5.712 1.00 4.14 C ATOM 1246 CG HIS A 87 23.756 -15.743 5.051 1.00 63.23 C ATOM 1247 ND1 HIS A 87 22.446 -15.348 5.208 1.00 60.23 N ATOM 1248 CD2 HIS A 87 23.716 -16.827 4.234 1.00 5.10 C ATOM 1249 CE1 HIS A 87 21.657 -16.151 4.524 1.00 33.35 C ATOM 1250 NE2 HIS A 87 22.401 -17.052 3.925 1.00 14.22 N ATOM 0 H HIS A 87 27.146 -15.550 4.070 1.00 51.14 H new ATOM 0 HA HIS A 87 25.079 -13.422 4.282 1.00 71.31 H new ATOM 0 HB2 HIS A 87 25.580 -15.787 6.150 1.00 4.14 H new ATOM 0 HB3 HIS A 87 24.540 -14.429 6.532 1.00 4.14 H new ATOM 0 HD2 HIS A 87 24.563 -17.404 3.892 1.00 5.10 H new ATOM 0 HE1 HIS A 87 20.581 -16.080 4.466 1.00 33.35 H new ATOM 0 HE2 HIS A 87 22.055 -17.801 3.325 1.00 14.22 H new TER 1259 HIS A 87