USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 955 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0 (180deg=-0.0925) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0819 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -108:sc= -0.555 USER MOD Single : A 31 THR OG1 : rot 160:sc= 0.378 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0315 K(o=-0.032,f=-1.2) USER MOD Single : A 37 ASN : amide:sc= -0.285 K(o=-0.28,f=-1.2!) USER MOD Single : A 45 SER OG : rot 91:sc= 0.339 USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= -0.975 (180deg=-1.46) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -147:sc= -0.244 (180deg=-1.58) USER MOD Single : A 60 MET CE :methyl -162:sc= -2.19 (180deg=-3.09!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -4.12! C(o=-4.1!,f=-8.6!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0941 X(o=-0.094,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -2.88 K(o=-2.9,f=-3.7) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -165:sc= -1.38 (180deg=-2.11) USER MOD Single : A 82 THR OG1 : rot 36:sc= 0.216 USER MOD Single : A 84 HIS : no HD1:sc= -0.6 K(o=-0.6,f=-0.062) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 96 GLN : amide:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 101 TYR OH : rot -122:sc= 0.446 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.247 1.590 -6.515 1.00 45.33 N ATOM 2 CA MET A 1 -0.508 1.056 -5.184 1.00 10.43 C ATOM 3 C MET A 1 0.089 1.959 -4.109 1.00 44.00 C ATOM 4 O MET A 1 0.660 1.479 -3.130 1.00 63.33 O ATOM 5 CB MET A 1 0.065 -0.356 -5.056 1.00 32.51 C ATOM 6 CG MET A 1 -0.832 -1.308 -4.281 1.00 32.11 C ATOM 7 SD MET A 1 -0.286 -3.023 -4.391 1.00 44.24 S ATOM 8 CE MET A 1 -0.495 -3.555 -2.694 1.00 50.10 C ATOM 0 H1 MET A 1 -0.525 0.889 -7.231 1.00 45.33 H new ATOM 0 H2 MET A 1 -0.796 2.463 -6.653 1.00 45.33 H new ATOM 0 H3 MET A 1 0.767 1.800 -6.612 1.00 45.33 H new ATOM 0 HA MET A 1 -1.588 1.016 -5.041 1.00 10.43 H new ATOM 0 HB2 MET A 1 0.236 -0.762 -6.053 1.00 32.51 H new ATOM 0 HB3 MET A 1 1.036 -0.302 -4.563 1.00 32.51 H new ATOM 0 HG2 MET A 1 -0.857 -1.006 -3.234 1.00 32.11 H new ATOM 0 HG3 MET A 1 -1.851 -1.230 -4.660 1.00 32.11 H new ATOM 0 HE1 MET A 1 -0.197 -4.599 -2.601 1.00 50.10 H new ATOM 0 HE2 MET A 1 0.126 -2.941 -2.041 1.00 50.10 H new ATOM 0 HE3 MET A 1 -1.541 -3.449 -2.405 1.00 50.10 H new ATOM 18 N GLN A 2 -0.046 3.268 -4.299 1.00 60.51 N ATOM 19 CA GLN A 2 0.482 4.236 -3.346 1.00 10.14 C ATOM 20 C GLN A 2 -0.630 5.128 -2.803 1.00 71.22 C ATOM 21 O GLN A 2 -1.001 6.123 -3.426 1.00 65.12 O ATOM 22 CB GLN A 2 1.564 5.094 -4.004 1.00 22.31 C ATOM 23 CG GLN A 2 2.671 4.281 -4.657 1.00 12.33 C ATOM 24 CD GLN A 2 3.537 5.113 -5.583 1.00 34.43 C ATOM 25 OE1 GLN A 2 4.631 5.538 -5.213 1.00 23.15 O ATOM 26 NE2 GLN A 2 3.050 5.349 -6.795 1.00 73.13 N ATOM 0 H GLN A 2 -0.516 3.682 -5.104 1.00 60.51 H new ATOM 0 HA GLN A 2 0.921 3.686 -2.514 1.00 10.14 H new ATOM 0 HB2 GLN A 2 1.102 5.733 -4.756 1.00 22.31 H new ATOM 0 HB3 GLN A 2 2.002 5.751 -3.253 1.00 22.31 H new ATOM 0 HG2 GLN A 2 3.296 3.837 -3.882 1.00 12.33 H new ATOM 0 HG3 GLN A 2 2.229 3.459 -5.220 1.00 12.33 H new ATOM 0 HE21 GLN A 2 2.138 4.977 -7.060 1.00 73.13 H new ATOM 0 HE22 GLN A 2 3.588 5.903 -7.462 1.00 73.13 H new ATOM 35 N ARG A 3 -1.159 4.764 -1.639 1.00 42.14 N ATOM 36 CA ARG A 3 -2.230 5.530 -1.014 1.00 42.40 C ATOM 37 C ARG A 3 -2.552 4.982 0.373 1.00 13.20 C ATOM 38 O ARG A 3 -2.418 3.786 0.625 1.00 32.44 O ATOM 39 CB ARG A 3 -3.484 5.502 -1.889 1.00 51.44 C ATOM 40 CG ARG A 3 -4.544 6.507 -1.468 1.00 5.50 C ATOM 41 CD ARG A 3 -5.492 5.917 -0.437 1.00 14.24 C ATOM 42 NE ARG A 3 -6.776 5.544 -1.024 1.00 54.42 N ATOM 43 CZ ARG A 3 -7.753 4.955 -0.343 1.00 64.44 C ATOM 44 NH1 ARG A 3 -7.592 4.672 0.942 1.00 11.41 N ATOM 45 NH2 ARG A 3 -8.893 4.646 -0.948 1.00 43.33 N ATOM 0 H ARG A 3 -0.863 3.944 -1.110 1.00 42.14 H new ATOM 0 HA ARG A 3 -1.892 6.561 -0.909 1.00 42.40 H new ATOM 0 HB2 ARG A 3 -3.200 5.698 -2.923 1.00 51.44 H new ATOM 0 HB3 ARG A 3 -3.914 4.501 -1.861 1.00 51.44 H new ATOM 0 HG2 ARG A 3 -4.063 7.394 -1.056 1.00 5.50 H new ATOM 0 HG3 ARG A 3 -5.110 6.829 -2.342 1.00 5.50 H new ATOM 0 HD2 ARG A 3 -5.033 5.039 0.017 1.00 14.24 H new ATOM 0 HD3 ARG A 3 -5.655 6.641 0.362 1.00 14.24 H new ATOM 0 HE ARG A 3 -6.931 5.747 -2.011 1.00 54.42 H new ATOM 0 HH11 ARG A 3 -6.717 4.906 1.410 1.00 11.41 H new ATOM 0 HH12 ARG A 3 -8.344 4.220 1.463 1.00 11.41 H new ATOM 0 HH21 ARG A 3 -9.020 4.861 -1.937 1.00 43.33 H new ATOM 0 HH22 ARG A 3 -9.642 4.194 -0.424 1.00 43.33 H new ATOM 59 N GLY A 4 -2.978 5.867 1.270 1.00 42.35 N ATOM 60 CA GLY A 4 -3.312 5.453 2.620 1.00 41.42 C ATOM 61 C GLY A 4 -3.773 6.611 3.483 1.00 30.45 C ATOM 62 O GLY A 4 -3.694 7.769 3.074 1.00 4.22 O ATOM 0 H GLY A 4 -3.098 6.863 1.085 1.00 42.35 H new ATOM 0 HA2 GLY A 4 -4.097 4.697 2.582 1.00 41.42 H new ATOM 0 HA3 GLY A 4 -2.441 4.985 3.079 1.00 41.42 H new ATOM 66 N ILE A 5 -4.258 6.297 4.680 1.00 3.03 N ATOM 67 CA ILE A 5 -4.734 7.320 5.603 1.00 41.00 C ATOM 68 C ILE A 5 -3.578 8.156 6.141 1.00 23.13 C ATOM 69 O ILE A 5 -2.547 7.620 6.549 1.00 42.24 O ATOM 70 CB ILE A 5 -5.498 6.699 6.787 1.00 71.41 C ATOM 71 CG1 ILE A 5 -6.758 5.985 6.291 1.00 5.11 C ATOM 72 CG2 ILE A 5 -5.856 7.769 7.807 1.00 40.22 C ATOM 73 CD1 ILE A 5 -7.589 5.385 7.403 1.00 54.20 C ATOM 0 H ILE A 5 -4.332 5.343 5.033 1.00 3.03 H new ATOM 0 HA ILE A 5 -5.412 7.961 5.040 1.00 41.00 H new ATOM 0 HB ILE A 5 -4.854 5.965 7.271 1.00 71.41 H new ATOM 0 HG12 ILE A 5 -7.370 6.692 5.732 1.00 5.11 H new ATOM 0 HG13 ILE A 5 -6.469 5.195 5.597 1.00 5.11 H new ATOM 0 HG21 ILE A 5 -6.396 7.314 8.638 1.00 40.22 H new ATOM 0 HG22 ILE A 5 -4.944 8.236 8.179 1.00 40.22 H new ATOM 0 HG23 ILE A 5 -6.485 8.525 7.336 1.00 40.22 H new ATOM 0 HD11 ILE A 5 -8.466 4.895 6.979 1.00 54.20 H new ATOM 0 HD12 ILE A 5 -6.993 4.653 7.948 1.00 54.20 H new ATOM 0 HD13 ILE A 5 -7.908 6.173 8.085 1.00 54.20 H new ATOM 85 N VAL A 6 -3.757 9.473 6.142 1.00 42.12 N ATOM 86 CA VAL A 6 -2.730 10.384 6.633 1.00 0.20 C ATOM 87 C VAL A 6 -3.317 11.399 7.607 1.00 5.53 C ATOM 88 O VAL A 6 -3.962 12.365 7.199 1.00 5.33 O ATOM 89 CB VAL A 6 -2.046 11.136 5.475 1.00 30.44 C ATOM 90 CG1 VAL A 6 -1.019 12.122 6.011 1.00 34.34 C ATOM 91 CG2 VAL A 6 -1.400 10.153 4.511 1.00 73.35 C ATOM 0 H VAL A 6 -4.604 9.933 5.808 1.00 42.12 H new ATOM 0 HA VAL A 6 -1.988 9.776 7.150 1.00 0.20 H new ATOM 0 HB VAL A 6 -2.805 11.699 4.931 1.00 30.44 H new ATOM 0 HG11 VAL A 6 -0.546 12.644 5.179 1.00 34.34 H new ATOM 0 HG12 VAL A 6 -1.513 12.846 6.659 1.00 34.34 H new ATOM 0 HG13 VAL A 6 -0.261 11.584 6.580 1.00 34.34 H new ATOM 0 HG21 VAL A 6 -0.921 10.701 3.699 1.00 73.35 H new ATOM 0 HG22 VAL A 6 -0.652 9.562 5.040 1.00 73.35 H new ATOM 0 HG23 VAL A 6 -2.163 9.490 4.102 1.00 73.35 H new ATOM 101 N TRP A 7 -3.088 11.175 8.896 1.00 61.50 N ATOM 102 CA TRP A 7 -3.594 12.071 9.930 1.00 64.24 C ATOM 103 C TRP A 7 -2.468 12.917 10.515 1.00 54.04 C ATOM 104 O TRP A 7 -1.425 12.394 10.908 1.00 15.30 O ATOM 105 CB TRP A 7 -4.276 11.269 11.040 1.00 44.25 C ATOM 106 CG TRP A 7 -5.561 10.630 10.607 1.00 5.32 C ATOM 107 CD1 TRP A 7 -6.087 10.620 9.347 1.00 35.03 C ATOM 108 CD2 TRP A 7 -6.481 9.911 11.435 1.00 63.41 C ATOM 109 NE1 TRP A 7 -7.280 9.937 9.342 1.00 41.30 N ATOM 110 CE2 TRP A 7 -7.543 9.491 10.610 1.00 0.42 C ATOM 111 CE3 TRP A 7 -6.510 9.578 12.792 1.00 62.32 C ATOM 112 CZ2 TRP A 7 -8.621 8.759 11.100 1.00 63.51 C ATOM 113 CZ3 TRP A 7 -7.580 8.851 13.276 1.00 34.54 C ATOM 114 CH2 TRP A 7 -8.623 8.447 12.432 1.00 34.33 C ATOM 0 H TRP A 7 -2.555 10.381 9.250 1.00 61.50 H new ATOM 0 HA TRP A 7 -4.325 12.738 9.473 1.00 64.24 H new ATOM 0 HB2 TRP A 7 -3.594 10.495 11.391 1.00 44.25 H new ATOM 0 HB3 TRP A 7 -4.473 11.928 11.886 1.00 44.25 H new ATOM 0 HD1 TRP A 7 -5.633 11.081 8.482 1.00 35.03 H new ATOM 0 HE1 TRP A 7 -7.873 9.787 8.526 1.00 41.30 H new ATOM 0 HE3 TRP A 7 -5.710 9.884 13.450 1.00 62.32 H new ATOM 0 HZ2 TRP A 7 -9.427 8.448 10.452 1.00 63.51 H new ATOM 0 HZ3 TRP A 7 -7.613 8.589 14.323 1.00 34.54 H new ATOM 0 HH2 TRP A 7 -9.445 7.878 12.841 1.00 34.33 H new ATOM 125 N VAL A 8 -2.686 14.227 10.569 1.00 1.33 N ATOM 126 CA VAL A 8 -1.690 15.146 11.108 1.00 60.21 C ATOM 127 C VAL A 8 -2.312 16.096 12.125 1.00 41.33 C ATOM 128 O VAL A 8 -3.093 16.979 11.769 1.00 43.21 O ATOM 129 CB VAL A 8 -1.025 15.971 9.990 1.00 22.23 C ATOM 130 CG1 VAL A 8 -0.023 16.954 10.576 1.00 23.21 C ATOM 131 CG2 VAL A 8 -0.355 15.054 8.978 1.00 31.42 C ATOM 0 H VAL A 8 -3.543 14.676 10.246 1.00 1.33 H new ATOM 0 HA VAL A 8 -0.931 14.538 11.601 1.00 60.21 H new ATOM 0 HB VAL A 8 -1.798 16.541 9.474 1.00 22.23 H new ATOM 0 HG11 VAL A 8 0.437 17.528 9.771 1.00 23.21 H new ATOM 0 HG12 VAL A 8 -0.535 17.632 11.259 1.00 23.21 H new ATOM 0 HG13 VAL A 8 0.748 16.407 11.118 1.00 23.21 H new ATOM 0 HG21 VAL A 8 0.110 15.654 8.195 1.00 31.42 H new ATOM 0 HG22 VAL A 8 0.407 14.456 9.478 1.00 31.42 H new ATOM 0 HG23 VAL A 8 -1.101 14.394 8.535 1.00 31.42 H new ATOM 141 N VAL A 9 -1.960 15.910 13.393 1.00 13.11 N ATOM 142 CA VAL A 9 -2.483 16.752 14.463 1.00 64.03 C ATOM 143 C VAL A 9 -1.444 17.772 14.916 1.00 31.10 C ATOM 144 O VAL A 9 -0.446 17.420 15.545 1.00 34.44 O ATOM 145 CB VAL A 9 -2.923 15.910 15.675 1.00 2.43 C ATOM 146 CG1 VAL A 9 -1.758 15.088 16.206 1.00 74.13 C ATOM 147 CG2 VAL A 9 -3.495 16.805 16.765 1.00 64.12 C ATOM 0 H VAL A 9 -1.315 15.184 13.705 1.00 13.11 H new ATOM 0 HA VAL A 9 -3.350 17.275 14.060 1.00 64.03 H new ATOM 0 HB VAL A 9 -3.705 15.222 15.353 1.00 2.43 H new ATOM 0 HG11 VAL A 9 -2.088 14.500 17.062 1.00 74.13 H new ATOM 0 HG12 VAL A 9 -1.398 14.420 15.424 1.00 74.13 H new ATOM 0 HG13 VAL A 9 -0.952 15.755 16.513 1.00 74.13 H new ATOM 0 HG21 VAL A 9 -3.801 16.194 17.614 1.00 64.12 H new ATOM 0 HG22 VAL A 9 -2.736 17.518 17.086 1.00 64.12 H new ATOM 0 HG23 VAL A 9 -4.359 17.345 16.377 1.00 64.12 H new ATOM 157 N ASP A 10 -1.686 19.037 14.593 1.00 43.55 N ATOM 158 CA ASP A 10 -0.772 20.110 14.968 1.00 50.42 C ATOM 159 C ASP A 10 -1.481 21.461 14.945 1.00 32.24 C ATOM 160 O ASP A 10 -2.571 21.591 14.389 1.00 54.45 O ATOM 161 CB ASP A 10 0.432 20.137 14.025 1.00 21.10 C ATOM 162 CG ASP A 10 0.091 20.717 12.667 1.00 71.15 C ATOM 163 OD1 ASP A 10 -1.005 20.414 12.150 1.00 61.44 O ATOM 164 OD2 ASP A 10 0.919 21.475 12.121 1.00 64.14 O ATOM 0 H ASP A 10 -2.507 19.345 14.072 1.00 43.55 H new ATOM 0 HA ASP A 10 -0.425 19.919 15.983 1.00 50.42 H new ATOM 0 HB2 ASP A 10 1.231 20.724 14.477 1.00 21.10 H new ATOM 0 HB3 ASP A 10 0.814 19.124 13.899 1.00 21.10 H new ATOM 169 N ASP A 11 -0.856 22.462 15.555 1.00 62.21 N ATOM 170 CA ASP A 11 -1.427 23.803 15.605 1.00 22.30 C ATOM 171 C ASP A 11 -0.675 24.749 14.674 1.00 22.21 C ATOM 172 O ASP A 11 0.182 25.516 15.113 1.00 40.31 O ATOM 173 CB ASP A 11 -1.393 24.341 17.036 1.00 2.51 C ATOM 174 CG ASP A 11 -2.492 25.352 17.301 1.00 45.05 C ATOM 175 OD1 ASP A 11 -3.648 25.086 16.911 1.00 3.23 O ATOM 176 OD2 ASP A 11 -2.195 26.409 17.896 1.00 50.20 O ATOM 0 H ASP A 11 0.046 22.370 16.022 1.00 62.21 H new ATOM 0 HA ASP A 11 -2.463 23.743 15.272 1.00 22.30 H new ATOM 0 HB2 ASP A 11 -1.491 23.511 17.736 1.00 2.51 H new ATOM 0 HB3 ASP A 11 -0.424 24.804 17.224 1.00 2.51 H new ATOM 181 N ASP A 12 -1.000 24.687 13.388 1.00 53.33 N ATOM 182 CA ASP A 12 -0.356 25.538 12.394 1.00 3.54 C ATOM 183 C ASP A 12 -1.071 25.442 11.050 1.00 2.43 C ATOM 184 O ASP A 12 -1.335 24.348 10.553 1.00 22.42 O ATOM 185 CB ASP A 12 1.114 25.147 12.233 1.00 1.52 C ATOM 186 CG ASP A 12 2.043 26.053 13.017 1.00 45.41 C ATOM 187 OD1 ASP A 12 2.143 27.247 12.666 1.00 53.53 O ATOM 188 OD2 ASP A 12 2.672 25.568 13.981 1.00 43.02 O ATOM 0 H ASP A 12 -1.706 24.056 13.009 1.00 53.33 H new ATOM 0 HA ASP A 12 -0.414 26.569 12.742 1.00 3.54 H new ATOM 0 HB2 ASP A 12 1.251 24.117 12.563 1.00 1.52 H new ATOM 0 HB3 ASP A 12 1.383 25.182 11.177 1.00 1.52 H new ATOM 193 N SER A 13 -1.382 26.596 10.468 1.00 74.23 N ATOM 194 CA SER A 13 -2.072 26.642 9.183 1.00 25.24 C ATOM 195 C SER A 13 -1.109 26.340 8.039 1.00 24.11 C ATOM 196 O SER A 13 -1.476 25.694 7.058 1.00 54.43 O ATOM 197 CB SER A 13 -2.715 28.014 8.975 1.00 51.01 C ATOM 198 OG SER A 13 -1.962 29.032 9.611 1.00 52.31 O ATOM 0 H SER A 13 -1.168 27.511 10.865 1.00 74.23 H new ATOM 0 HA SER A 13 -2.852 25.880 9.189 1.00 25.24 H new ATOM 0 HB2 SER A 13 -2.790 28.226 7.908 1.00 51.01 H new ATOM 0 HB3 SER A 13 -3.730 28.007 9.371 1.00 51.01 H new ATOM 0 HG SER A 13 -2.393 29.899 9.462 1.00 52.31 H new ATOM 204 N SER A 14 0.127 26.812 8.173 1.00 14.14 N ATOM 205 CA SER A 14 1.143 26.597 7.150 1.00 73.12 C ATOM 206 C SER A 14 1.447 25.110 6.991 1.00 43.41 C ATOM 207 O SER A 14 1.312 24.551 5.902 1.00 11.03 O ATOM 208 CB SER A 14 2.423 27.356 7.504 1.00 14.41 C ATOM 209 OG SER A 14 2.244 28.754 7.357 1.00 55.44 O ATOM 0 H SER A 14 0.448 27.346 8.981 1.00 14.14 H new ATOM 0 HA SER A 14 0.756 26.975 6.204 1.00 73.12 H new ATOM 0 HB2 SER A 14 2.712 27.129 8.530 1.00 14.41 H new ATOM 0 HB3 SER A 14 3.238 27.021 6.862 1.00 14.41 H new ATOM 0 HG SER A 14 3.076 29.217 7.591 1.00 55.44 H new ATOM 215 N ILE A 15 1.859 24.477 8.084 1.00 44.30 N ATOM 216 CA ILE A 15 2.182 23.056 8.067 1.00 4.10 C ATOM 217 C ILE A 15 1.012 22.233 7.539 1.00 23.34 C ATOM 218 O ILE A 15 1.205 21.172 6.944 1.00 13.32 O ATOM 219 CB ILE A 15 2.561 22.548 9.471 1.00 44.13 C ATOM 220 CG1 ILE A 15 3.592 23.479 10.113 1.00 52.12 C ATOM 221 CG2 ILE A 15 3.100 21.127 9.392 1.00 15.23 C ATOM 222 CD1 ILE A 15 4.801 23.735 9.241 1.00 51.53 C ATOM 0 H ILE A 15 1.977 24.926 8.992 1.00 44.30 H new ATOM 0 HA ILE A 15 3.038 22.934 7.403 1.00 4.10 H new ATOM 0 HB ILE A 15 1.666 22.543 10.093 1.00 44.13 H new ATOM 0 HG12 ILE A 15 3.115 24.431 10.346 1.00 52.12 H new ATOM 0 HG13 ILE A 15 3.921 23.047 11.058 1.00 52.12 H new ATOM 0 HG21 ILE A 15 3.364 20.782 10.392 1.00 15.23 H new ATOM 0 HG22 ILE A 15 2.338 20.472 8.971 1.00 15.23 H new ATOM 0 HG23 ILE A 15 3.985 21.109 8.757 1.00 15.23 H new ATOM 0 HD11 ILE A 15 5.489 24.403 9.760 1.00 51.53 H new ATOM 0 HD12 ILE A 15 5.303 22.791 9.028 1.00 51.53 H new ATOM 0 HD13 ILE A 15 4.484 24.196 8.306 1.00 51.53 H new ATOM 234 N ARG A 16 -0.201 22.729 7.760 1.00 24.03 N ATOM 235 CA ARG A 16 -1.402 22.040 7.307 1.00 74.44 C ATOM 236 C ARG A 16 -1.587 22.203 5.801 1.00 62.53 C ATOM 237 O ARG A 16 -1.847 21.232 5.089 1.00 44.41 O ATOM 238 CB ARG A 16 -2.632 22.575 8.043 1.00 41.34 C ATOM 239 CG ARG A 16 -3.387 21.511 8.822 1.00 23.03 C ATOM 240 CD ARG A 16 -3.938 22.063 10.128 1.00 62.42 C ATOM 241 NE ARG A 16 -4.611 23.345 9.939 1.00 21.14 N ATOM 242 CZ ARG A 16 -5.838 23.465 9.446 1.00 74.01 C ATOM 243 NH1 ARG A 16 -6.523 22.386 9.094 1.00 73.24 N ATOM 244 NH2 ARG A 16 -6.383 24.667 9.305 1.00 73.44 N ATOM 0 H ARG A 16 -0.377 23.606 8.250 1.00 24.03 H new ATOM 0 HA ARG A 16 -1.287 20.979 7.529 1.00 74.44 H new ATOM 0 HB2 ARG A 16 -2.320 23.363 8.729 1.00 41.34 H new ATOM 0 HB3 ARG A 16 -3.308 23.031 7.320 1.00 41.34 H new ATOM 0 HG2 ARG A 16 -4.206 21.126 8.214 1.00 23.03 H new ATOM 0 HG3 ARG A 16 -2.723 20.672 9.031 1.00 23.03 H new ATOM 0 HD2 ARG A 16 -4.638 21.346 10.558 1.00 62.42 H new ATOM 0 HD3 ARG A 16 -3.124 22.183 10.843 1.00 62.42 H new ATOM 0 HE ARG A 16 -4.111 24.195 10.200 1.00 21.14 H new ATOM 0 HH11 ARG A 16 -6.108 21.461 9.202 1.00 73.24 H new ATOM 0 HH12 ARG A 16 -7.465 22.481 8.716 1.00 73.24 H new ATOM 0 HH21 ARG A 16 -5.859 25.499 9.575 1.00 73.44 H new ATOM 0 HH22 ARG A 16 -7.326 24.758 8.926 1.00 73.44 H new ATOM 258 N TRP A 17 -1.451 23.434 5.323 1.00 12.34 N ATOM 259 CA TRP A 17 -1.604 23.724 3.902 1.00 5.10 C ATOM 260 C TRP A 17 -0.630 22.897 3.070 1.00 25.24 C ATOM 261 O TRP A 17 -1.039 22.121 2.207 1.00 60.12 O ATOM 262 CB TRP A 17 -1.381 25.214 3.638 1.00 52.23 C ATOM 263 CG TRP A 17 -1.135 25.531 2.194 1.00 53.04 C ATOM 264 CD1 TRP A 17 -2.059 25.539 1.187 1.00 2.15 C ATOM 265 CD2 TRP A 17 0.116 25.884 1.595 1.00 65.32 C ATOM 266 NE1 TRP A 17 -1.456 25.876 -0.001 1.00 34.42 N ATOM 267 CE2 TRP A 17 -0.123 26.093 0.222 1.00 25.24 C ATOM 268 CE3 TRP A 17 1.415 26.045 2.084 1.00 2.34 C ATOM 269 CZ2 TRP A 17 0.890 26.453 -0.663 1.00 0.23 C ATOM 270 CZ3 TRP A 17 2.419 26.403 1.205 1.00 61.23 C ATOM 271 CH2 TRP A 17 2.152 26.604 -0.156 1.00 42.41 C ATOM 0 H TRP A 17 -1.235 24.248 5.899 1.00 12.34 H new ATOM 0 HA TRP A 17 -2.620 23.458 3.610 1.00 5.10 H new ATOM 0 HB2 TRP A 17 -2.253 25.771 3.981 1.00 52.23 H new ATOM 0 HB3 TRP A 17 -0.531 25.557 4.228 1.00 52.23 H new ATOM 0 HD1 TRP A 17 -3.108 25.314 1.307 1.00 2.15 H new ATOM 0 HE1 TRP A 17 -1.926 25.952 -0.903 1.00 34.42 H new ATOM 0 HE3 TRP A 17 1.631 25.892 3.131 1.00 2.34 H new ATOM 0 HZ2 TRP A 17 0.687 26.608 -1.712 1.00 0.23 H new ATOM 0 HZ3 TRP A 17 3.426 26.530 1.573 1.00 61.23 H new ATOM 0 HH2 TRP A 17 2.958 26.884 -0.818 1.00 42.41 H new ATOM 282 N VAL A 18 0.662 23.067 3.336 1.00 12.11 N ATOM 283 CA VAL A 18 1.694 22.335 2.613 1.00 62.44 C ATOM 284 C VAL A 18 1.405 20.838 2.608 1.00 21.32 C ATOM 285 O VAL A 18 1.649 20.150 1.616 1.00 71.02 O ATOM 286 CB VAL A 18 3.087 22.576 3.225 1.00 72.42 C ATOM 287 CG1 VAL A 18 3.647 23.914 2.768 1.00 71.14 C ATOM 288 CG2 VAL A 18 3.020 22.507 4.743 1.00 61.20 C ATOM 0 H VAL A 18 1.018 23.706 4.047 1.00 12.11 H new ATOM 0 HA VAL A 18 1.686 22.707 1.588 1.00 62.44 H new ATOM 0 HB VAL A 18 3.759 21.791 2.877 1.00 72.42 H new ATOM 0 HG11 VAL A 18 4.631 24.067 3.210 1.00 71.14 H new ATOM 0 HG12 VAL A 18 3.733 23.921 1.681 1.00 71.14 H new ATOM 0 HG13 VAL A 18 2.979 24.715 3.084 1.00 71.14 H new ATOM 0 HG21 VAL A 18 4.013 22.679 5.159 1.00 61.20 H new ATOM 0 HG22 VAL A 18 2.334 23.270 5.112 1.00 61.20 H new ATOM 0 HG23 VAL A 18 2.665 21.522 5.047 1.00 61.20 H new ATOM 298 N LEU A 19 0.884 20.338 3.723 1.00 13.33 N ATOM 299 CA LEU A 19 0.560 18.921 3.849 1.00 40.41 C ATOM 300 C LEU A 19 -0.610 18.548 2.944 1.00 23.21 C ATOM 301 O LEU A 19 -0.490 17.670 2.090 1.00 1.10 O ATOM 302 CB LEU A 19 0.224 18.582 5.302 1.00 24.41 C ATOM 303 CG LEU A 19 1.328 17.889 6.102 1.00 45.03 C ATOM 304 CD1 LEU A 19 0.866 17.616 7.524 1.00 31.44 C ATOM 305 CD2 LEU A 19 1.751 16.597 5.419 1.00 60.54 C ATOM 0 H LEU A 19 0.677 20.893 4.553 1.00 13.33 H new ATOM 0 HA LEU A 19 1.432 18.345 3.540 1.00 40.41 H new ATOM 0 HB2 LEU A 19 -0.045 19.504 5.816 1.00 24.41 H new ATOM 0 HB3 LEU A 19 -0.659 17.943 5.310 1.00 24.41 H new ATOM 0 HG LEU A 19 2.191 18.553 6.144 1.00 45.03 H new ATOM 0 HD11 LEU A 19 1.665 17.123 8.078 1.00 31.44 H new ATOM 0 HD12 LEU A 19 0.614 18.558 8.012 1.00 31.44 H new ATOM 0 HD13 LEU A 19 -0.013 16.972 7.504 1.00 31.44 H new ATOM 0 HD21 LEU A 19 2.537 16.118 6.002 1.00 60.54 H new ATOM 0 HD22 LEU A 19 0.894 15.927 5.345 1.00 60.54 H new ATOM 0 HD23 LEU A 19 2.125 16.819 4.420 1.00 60.54 H new ATOM 317 N GLU A 20 -1.739 19.222 3.137 1.00 72.12 N ATOM 318 CA GLU A 20 -2.930 18.961 2.337 1.00 61.24 C ATOM 319 C GLU A 20 -2.621 19.079 0.847 1.00 62.22 C ATOM 320 O GLU A 20 -3.112 18.293 0.036 1.00 11.31 O ATOM 321 CB GLU A 20 -4.049 19.933 2.715 1.00 51.10 C ATOM 322 CG GLU A 20 -5.305 19.772 1.875 1.00 10.20 C ATOM 323 CD GLU A 20 -6.575 19.966 2.681 1.00 3.20 C ATOM 324 OE1 GLU A 20 -6.560 20.787 3.622 1.00 4.21 O ATOM 325 OE2 GLU A 20 -7.583 19.297 2.371 1.00 3.55 O ATOM 0 H GLU A 20 -1.854 19.952 3.840 1.00 72.12 H new ATOM 0 HA GLU A 20 -3.259 17.942 2.543 1.00 61.24 H new ATOM 0 HB2 GLU A 20 -4.304 19.790 3.765 1.00 51.10 H new ATOM 0 HB3 GLU A 20 -3.682 20.954 2.612 1.00 51.10 H new ATOM 0 HG2 GLU A 20 -5.285 20.492 1.057 1.00 10.20 H new ATOM 0 HG3 GLU A 20 -5.312 18.779 1.426 1.00 10.20 H new ATOM 332 N ARG A 21 -1.804 20.066 0.494 1.00 1.14 N ATOM 333 CA ARG A 21 -1.430 20.289 -0.897 1.00 74.31 C ATOM 334 C ARG A 21 -0.581 19.135 -1.423 1.00 51.43 C ATOM 335 O ARG A 21 -0.477 18.929 -2.632 1.00 42.40 O ATOM 336 CB ARG A 21 -0.665 21.606 -1.037 1.00 65.54 C ATOM 337 CG ARG A 21 -1.539 22.777 -1.453 1.00 1.44 C ATOM 338 CD ARG A 21 -1.047 23.408 -2.746 1.00 55.31 C ATOM 339 NE ARG A 21 -2.068 24.248 -3.368 1.00 2.35 N ATOM 340 CZ ARG A 21 -3.097 23.767 -4.055 1.00 35.32 C ATOM 341 NH1 ARG A 21 -3.243 22.458 -4.207 1.00 61.24 N ATOM 342 NH2 ARG A 21 -3.985 24.595 -4.591 1.00 3.23 N ATOM 0 H ARG A 21 -1.388 20.724 1.153 1.00 1.14 H new ATOM 0 HA ARG A 21 -2.344 20.344 -1.489 1.00 74.31 H new ATOM 0 HB2 ARG A 21 -0.186 21.841 -0.086 1.00 65.54 H new ATOM 0 HB3 ARG A 21 0.130 21.478 -1.772 1.00 65.54 H new ATOM 0 HG2 ARG A 21 -2.567 22.438 -1.581 1.00 1.44 H new ATOM 0 HG3 ARG A 21 -1.547 23.526 -0.661 1.00 1.44 H new ATOM 0 HD2 ARG A 21 -0.159 24.007 -2.542 1.00 55.31 H new ATOM 0 HD3 ARG A 21 -0.749 22.624 -3.442 1.00 55.31 H new ATOM 0 HE ARG A 21 -1.986 25.260 -3.269 1.00 2.35 H new ATOM 0 HH11 ARG A 21 -2.564 21.818 -3.796 1.00 61.24 H new ATOM 0 HH12 ARG A 21 -4.035 22.091 -4.735 1.00 61.24 H new ATOM 0 HH21 ARG A 21 -3.877 25.603 -4.475 1.00 3.23 H new ATOM 0 HH22 ARG A 21 -4.775 24.224 -5.119 1.00 3.23 H new ATOM 356 N ALA A 22 0.024 18.387 -0.507 1.00 2.01 N ATOM 357 CA ALA A 22 0.863 17.254 -0.878 1.00 52.12 C ATOM 358 C ALA A 22 0.036 15.980 -1.014 1.00 11.13 C ATOM 359 O ALA A 22 0.082 15.304 -2.043 1.00 13.53 O ATOM 360 CB ALA A 22 1.971 17.060 0.146 1.00 21.20 C ATOM 0 H ALA A 22 -0.051 18.545 0.498 1.00 2.01 H new ATOM 0 HA ALA A 22 1.313 17.469 -1.847 1.00 52.12 H new ATOM 0 HB1 ALA A 22 2.590 16.211 -0.144 1.00 21.20 H new ATOM 0 HB2 ALA A 22 2.586 17.959 0.191 1.00 21.20 H new ATOM 0 HB3 ALA A 22 1.532 16.872 1.126 1.00 21.20 H new ATOM 366 N LEU A 23 -0.719 15.656 0.030 1.00 2.54 N ATOM 367 CA LEU A 23 -1.556 14.462 0.028 1.00 34.02 C ATOM 368 C LEU A 23 -2.653 14.568 -1.027 1.00 22.31 C ATOM 369 O LEU A 23 -2.774 13.707 -1.898 1.00 51.45 O ATOM 370 CB LEU A 23 -2.180 14.250 1.409 1.00 70.12 C ATOM 371 CG LEU A 23 -1.250 14.459 2.605 1.00 72.34 C ATOM 372 CD1 LEU A 23 -2.021 14.329 3.909 1.00 30.22 C ATOM 373 CD2 LEU A 23 -0.097 13.467 2.563 1.00 32.52 C ATOM 0 H LEU A 23 -0.769 16.204 0.889 1.00 2.54 H new ATOM 0 HA LEU A 23 -0.925 13.607 -0.214 1.00 34.02 H new ATOM 0 HB2 LEU A 23 -3.028 14.928 1.511 1.00 70.12 H new ATOM 0 HB3 LEU A 23 -2.576 13.235 1.455 1.00 70.12 H new ATOM 0 HG LEU A 23 -0.838 15.467 2.550 1.00 72.34 H new ATOM 0 HD11 LEU A 23 -1.343 14.481 4.749 1.00 30.22 H new ATOM 0 HD12 LEU A 23 -2.812 15.079 3.941 1.00 30.22 H new ATOM 0 HD13 LEU A 23 -2.462 13.334 3.973 1.00 30.22 H new ATOM 0 HD21 LEU A 23 0.555 13.630 3.421 1.00 32.52 H new ATOM 0 HD22 LEU A 23 -0.490 12.451 2.594 1.00 32.52 H new ATOM 0 HD23 LEU A 23 0.471 13.609 1.644 1.00 32.52 H new ATOM 385 N ALA A 24 -3.448 15.629 -0.943 1.00 3.45 N ATOM 386 CA ALA A 24 -4.531 15.850 -1.892 1.00 71.14 C ATOM 387 C ALA A 24 -4.015 15.836 -3.327 1.00 63.31 C ATOM 388 O ALA A 24 -4.756 15.531 -4.261 1.00 3.31 O ATOM 389 CB ALA A 24 -5.234 17.166 -1.595 1.00 44.43 C ATOM 0 H ALA A 24 -3.362 16.350 -0.226 1.00 3.45 H new ATOM 0 HA ALA A 24 -5.247 15.036 -1.783 1.00 71.14 H new ATOM 0 HB1 ALA A 24 -6.041 17.318 -2.312 1.00 44.43 H new ATOM 0 HB2 ALA A 24 -5.646 17.139 -0.586 1.00 44.43 H new ATOM 0 HB3 ALA A 24 -4.520 17.986 -1.674 1.00 44.43 H new ATOM 395 N GLY A 25 -2.738 16.168 -3.495 1.00 73.03 N ATOM 396 CA GLY A 25 -2.145 16.188 -4.820 1.00 32.23 C ATOM 397 C GLY A 25 -1.629 14.827 -5.244 1.00 43.30 C ATOM 398 O GLY A 25 -1.891 14.376 -6.358 1.00 54.24 O ATOM 0 H GLY A 25 -2.104 16.423 -2.738 1.00 73.03 H new ATOM 0 HA2 GLY A 25 -2.886 16.533 -5.541 1.00 32.23 H new ATOM 0 HA3 GLY A 25 -1.325 16.906 -4.837 1.00 32.23 H new ATOM 402 N ALA A 26 -0.890 14.173 -4.354 1.00 72.50 N ATOM 403 CA ALA A 26 -0.336 12.856 -4.642 1.00 63.32 C ATOM 404 C ALA A 26 -1.434 11.800 -4.709 1.00 12.10 C ATOM 405 O ALA A 26 -1.242 10.725 -5.274 1.00 64.44 O ATOM 406 CB ALA A 26 0.699 12.478 -3.593 1.00 22.41 C ATOM 0 H ALA A 26 -0.661 14.534 -3.428 1.00 72.50 H new ATOM 0 HA ALA A 26 0.149 12.899 -5.617 1.00 63.32 H new ATOM 0 HB1 ALA A 26 1.104 11.492 -3.821 1.00 22.41 H new ATOM 0 HB2 ALA A 26 1.505 13.212 -3.596 1.00 22.41 H new ATOM 0 HB3 ALA A 26 0.230 12.459 -2.609 1.00 22.41 H new ATOM 412 N GLY A 27 -2.587 12.115 -4.127 1.00 35.12 N ATOM 413 CA GLY A 27 -3.699 11.182 -4.131 1.00 54.30 C ATOM 414 C GLY A 27 -3.926 10.544 -2.775 1.00 11.31 C ATOM 415 O GLY A 27 -4.920 9.848 -2.566 1.00 74.34 O ATOM 0 H GLY A 27 -2.771 12.999 -3.653 1.00 35.12 H new ATOM 0 HA2 GLY A 27 -4.605 11.703 -4.440 1.00 54.30 H new ATOM 0 HA3 GLY A 27 -3.512 10.402 -4.869 1.00 54.30 H new ATOM 419 N LEU A 28 -3.002 10.780 -1.850 1.00 60.12 N ATOM 420 CA LEU A 28 -3.104 10.222 -0.506 1.00 75.43 C ATOM 421 C LEU A 28 -4.270 10.845 0.255 1.00 72.22 C ATOM 422 O LEU A 28 -4.624 12.003 0.031 1.00 33.12 O ATOM 423 CB LEU A 28 -1.801 10.446 0.261 1.00 3.45 C ATOM 424 CG LEU A 28 -0.512 10.125 -0.496 1.00 2.31 C ATOM 425 CD1 LEU A 28 0.687 10.745 0.205 1.00 65.14 C ATOM 426 CD2 LEU A 28 -0.334 8.620 -0.631 1.00 43.14 C ATOM 0 H LEU A 28 -2.174 11.354 -2.006 1.00 60.12 H new ATOM 0 HA LEU A 28 -3.285 9.151 -0.597 1.00 75.43 H new ATOM 0 HB2 LEU A 28 -1.763 11.489 0.576 1.00 3.45 H new ATOM 0 HB3 LEU A 28 -1.827 9.840 1.167 1.00 3.45 H new ATOM 0 HG LEU A 28 -0.584 10.553 -1.496 1.00 2.31 H new ATOM 0 HD11 LEU A 28 1.595 10.506 -0.348 1.00 65.14 H new ATOM 0 HD12 LEU A 28 0.563 11.827 0.249 1.00 65.14 H new ATOM 0 HD13 LEU A 28 0.763 10.347 1.217 1.00 65.14 H new ATOM 0 HD21 LEU A 28 0.588 8.410 -1.172 1.00 43.14 H new ATOM 0 HD22 LEU A 28 -0.284 8.169 0.360 1.00 43.14 H new ATOM 0 HD23 LEU A 28 -1.179 8.201 -1.178 1.00 43.14 H new ATOM 438 N THR A 29 -4.863 10.070 1.158 1.00 61.53 N ATOM 439 CA THR A 29 -5.988 10.545 1.953 1.00 3.11 C ATOM 440 C THR A 29 -5.560 11.663 2.897 1.00 41.10 C ATOM 441 O THR A 29 -4.803 11.435 3.842 1.00 52.23 O ATOM 442 CB THR A 29 -6.615 9.405 2.777 1.00 30.11 C ATOM 443 OG1 THR A 29 -7.107 8.382 1.904 1.00 45.24 O ATOM 444 CG2 THR A 29 -7.750 9.926 3.645 1.00 33.04 C ATOM 0 H THR A 29 -4.582 9.110 1.357 1.00 61.53 H new ATOM 0 HA THR A 29 -6.731 10.928 1.253 1.00 3.11 H new ATOM 0 HB THR A 29 -5.844 8.989 3.425 1.00 30.11 H new ATOM 0 HG1 THR A 29 -7.502 7.660 2.436 1.00 45.24 H new ATOM 0 HG21 THR A 29 -8.177 9.103 4.218 1.00 33.04 H new ATOM 0 HG22 THR A 29 -7.367 10.683 4.329 1.00 33.04 H new ATOM 0 HG23 THR A 29 -8.520 10.366 3.011 1.00 33.04 H new ATOM 452 N CYS A 30 -6.049 12.870 2.636 1.00 2.33 N ATOM 453 CA CYS A 30 -5.716 14.025 3.464 1.00 74.23 C ATOM 454 C CYS A 30 -6.690 14.156 4.630 1.00 21.25 C ATOM 455 O CYS A 30 -7.904 14.047 4.456 1.00 32.02 O ATOM 456 CB CYS A 30 -5.734 15.302 2.623 1.00 3.54 C ATOM 457 SG CYS A 30 -5.572 16.823 3.588 1.00 21.14 S ATOM 0 H CYS A 30 -6.677 13.075 1.859 1.00 2.33 H new ATOM 0 HA CYS A 30 -4.714 13.877 3.866 1.00 74.23 H new ATOM 0 HB2 CYS A 30 -4.923 15.257 1.896 1.00 3.54 H new ATOM 0 HB3 CYS A 30 -6.666 15.340 2.059 1.00 3.54 H new ATOM 0 HG CYS A 30 -6.712 17.448 3.608 1.00 21.14 H new ATOM 463 N THR A 31 -6.149 14.389 5.822 1.00 31.35 N ATOM 464 CA THR A 31 -6.969 14.532 7.019 1.00 62.50 C ATOM 465 C THR A 31 -6.384 15.575 7.965 1.00 74.44 C ATOM 466 O THR A 31 -5.174 15.802 7.984 1.00 52.53 O ATOM 467 CB THR A 31 -7.105 13.193 7.770 1.00 40.43 C ATOM 468 OG1 THR A 31 -7.356 12.133 6.840 1.00 3.42 O ATOM 469 CG2 THR A 31 -8.232 13.257 8.790 1.00 42.43 C ATOM 0 H THR A 31 -5.146 14.483 5.984 1.00 31.35 H new ATOM 0 HA THR A 31 -7.956 14.857 6.689 1.00 62.50 H new ATOM 0 HB THR A 31 -6.170 13.000 8.296 1.00 40.43 H new ATOM 0 HG1 THR A 31 -7.132 11.274 7.255 1.00 3.42 H new ATOM 0 HG21 THR A 31 -8.309 12.301 9.308 1.00 42.43 H new ATOM 0 HG22 THR A 31 -8.024 14.045 9.513 1.00 42.43 H new ATOM 0 HG23 THR A 31 -9.172 13.471 8.281 1.00 42.43 H new ATOM 477 N THR A 32 -7.251 16.207 8.750 1.00 31.50 N ATOM 478 CA THR A 32 -6.821 17.226 9.698 1.00 2.13 C ATOM 479 C THR A 32 -7.617 17.141 10.996 1.00 43.44 C ATOM 480 O THR A 32 -8.719 16.594 11.025 1.00 52.23 O ATOM 481 CB THR A 32 -6.971 18.641 9.109 1.00 51.15 C ATOM 482 OG1 THR A 32 -8.276 18.799 8.541 1.00 15.35 O ATOM 483 CG2 THR A 32 -5.916 18.899 8.044 1.00 64.42 C ATOM 0 H THR A 32 -8.256 16.030 8.747 1.00 31.50 H new ATOM 0 HA THR A 32 -5.768 17.038 9.908 1.00 2.13 H new ATOM 0 HB THR A 32 -6.835 19.362 9.915 1.00 51.15 H new ATOM 0 HG1 THR A 32 -8.364 19.702 8.170 1.00 15.35 H new ATOM 0 HG21 THR A 32 -6.042 19.905 7.643 1.00 64.42 H new ATOM 0 HG22 THR A 32 -4.924 18.806 8.485 1.00 64.42 H new ATOM 0 HG23 THR A 32 -6.025 18.171 7.240 1.00 64.42 H new ATOM 491 N PHE A 33 -7.052 17.687 12.068 1.00 63.23 N ATOM 492 CA PHE A 33 -7.709 17.672 13.369 1.00 12.42 C ATOM 493 C PHE A 33 -7.325 18.903 14.186 1.00 35.20 C ATOM 494 O PHE A 33 -8.124 19.413 14.971 1.00 72.31 O ATOM 495 CB PHE A 33 -7.340 16.401 14.137 1.00 51.32 C ATOM 496 CG PHE A 33 -7.583 15.140 13.359 1.00 34.51 C ATOM 497 CD1 PHE A 33 -6.623 14.651 12.488 1.00 21.44 C ATOM 498 CD2 PHE A 33 -8.773 14.443 13.499 1.00 62.44 C ATOM 499 CE1 PHE A 33 -6.843 13.490 11.772 1.00 74.45 C ATOM 500 CE2 PHE A 33 -8.999 13.281 12.785 1.00 63.12 C ATOM 501 CZ PHE A 33 -8.033 12.804 11.919 1.00 14.53 C ATOM 0 H PHE A 33 -6.141 18.145 12.061 1.00 63.23 H new ATOM 0 HA PHE A 33 -8.786 17.688 13.204 1.00 12.42 H new ATOM 0 HB2 PHE A 33 -6.288 16.448 14.418 1.00 51.32 H new ATOM 0 HB3 PHE A 33 -7.916 16.365 15.062 1.00 51.32 H new ATOM 0 HD1 PHE A 33 -5.691 15.184 12.367 1.00 21.44 H new ATOM 0 HD2 PHE A 33 -9.532 14.812 14.173 1.00 62.44 H new ATOM 0 HE1 PHE A 33 -6.085 13.119 11.098 1.00 74.45 H new ATOM 0 HE2 PHE A 33 -9.930 12.746 12.904 1.00 63.12 H new ATOM 0 HZ PHE A 33 -8.208 11.897 11.359 1.00 14.53 H new ATOM 511 N GLU A 34 -6.097 19.373 13.995 1.00 42.12 N ATOM 512 CA GLU A 34 -5.607 20.543 14.715 1.00 64.51 C ATOM 513 C GLU A 34 -5.208 20.176 16.142 1.00 72.45 C ATOM 514 O GLU A 34 -4.071 20.397 16.556 1.00 73.21 O ATOM 515 CB GLU A 34 -6.673 21.639 14.738 1.00 54.23 C ATOM 516 CG GLU A 34 -6.109 23.041 14.581 1.00 4.14 C ATOM 517 CD GLU A 34 -6.919 23.893 13.624 1.00 13.45 C ATOM 518 OE1 GLU A 34 -6.947 23.570 12.419 1.00 42.02 O ATOM 519 OE2 GLU A 34 -7.527 24.884 14.082 1.00 4.13 O ATOM 0 H GLU A 34 -5.423 18.962 13.348 1.00 42.12 H new ATOM 0 HA GLU A 34 -4.725 20.915 14.194 1.00 64.51 H new ATOM 0 HB2 GLU A 34 -7.390 21.453 13.938 1.00 54.23 H new ATOM 0 HB3 GLU A 34 -7.222 21.581 15.678 1.00 54.23 H new ATOM 0 HG2 GLU A 34 -6.078 23.527 15.556 1.00 4.14 H new ATOM 0 HG3 GLU A 34 -5.081 22.977 14.223 1.00 4.14 H new ATOM 526 N ASN A 35 -6.154 19.614 16.888 1.00 62.23 N ATOM 527 CA ASN A 35 -5.903 19.217 18.268 1.00 23.14 C ATOM 528 C ASN A 35 -6.185 17.731 18.467 1.00 31.22 C ATOM 529 O ASN A 35 -7.122 17.183 17.887 1.00 3.22 O ATOM 530 CB ASN A 35 -6.766 20.044 19.224 1.00 63.33 C ATOM 531 CG ASN A 35 -6.404 21.516 19.202 1.00 1.31 C ATOM 532 OD1 ASN A 35 -5.375 21.906 18.650 1.00 25.15 O ATOM 533 ND2 ASN A 35 -7.251 22.342 19.804 1.00 13.54 N ATOM 0 H ASN A 35 -7.101 19.424 16.560 1.00 62.23 H new ATOM 0 HA ASN A 35 -4.851 19.401 18.487 1.00 23.14 H new ATOM 0 HB2 ASN A 35 -7.816 19.927 18.955 1.00 63.33 H new ATOM 0 HB3 ASN A 35 -6.652 19.659 20.237 1.00 63.33 H new ATOM 0 HD21 ASN A 35 -7.061 23.344 19.822 1.00 13.54 H new ATOM 0 HD22 ASN A 35 -8.092 21.975 20.249 1.00 13.54 H new ATOM 540 N GLY A 36 -5.368 17.084 19.292 1.00 23.35 N ATOM 541 CA GLY A 36 -5.546 15.667 19.554 1.00 52.42 C ATOM 542 C GLY A 36 -6.977 15.320 19.916 1.00 44.42 C ATOM 543 O GLY A 36 -7.442 14.215 19.644 1.00 61.53 O ATOM 0 H GLY A 36 -4.586 17.516 19.784 1.00 23.35 H new ATOM 0 HA2 GLY A 36 -5.249 15.098 18.673 1.00 52.42 H new ATOM 0 HA3 GLY A 36 -4.885 15.365 20.367 1.00 52.42 H new ATOM 547 N ASN A 37 -7.676 16.267 20.533 1.00 4.40 N ATOM 548 CA ASN A 37 -9.061 16.055 20.935 1.00 13.22 C ATOM 549 C ASN A 37 -9.893 15.534 19.767 1.00 20.33 C ATOM 550 O ASN A 37 -10.691 14.611 19.925 1.00 73.20 O ATOM 551 CB ASN A 37 -9.666 17.357 21.465 1.00 44.21 C ATOM 552 CG ASN A 37 -11.181 17.322 21.493 1.00 74.13 C ATOM 553 OD1 ASN A 37 -11.836 17.470 20.461 1.00 61.15 O ATOM 554 ND2 ASN A 37 -11.747 17.125 22.678 1.00 2.21 N ATOM 0 H ASN A 37 -7.306 17.189 20.765 1.00 4.40 H new ATOM 0 HA ASN A 37 -9.072 15.308 21.728 1.00 13.22 H new ATOM 0 HB2 ASN A 37 -9.291 17.545 22.471 1.00 44.21 H new ATOM 0 HB3 ASN A 37 -9.336 18.188 20.841 1.00 44.21 H new ATOM 0 HD21 ASN A 37 -12.763 17.092 22.759 1.00 2.21 H new ATOM 0 HD22 ASN A 37 -11.165 17.007 23.508 1.00 2.21 H new ATOM 561 N GLU A 38 -9.699 16.132 18.596 1.00 63.41 N ATOM 562 CA GLU A 38 -10.431 15.727 17.402 1.00 52.12 C ATOM 563 C GLU A 38 -10.001 14.336 16.945 1.00 52.12 C ATOM 564 O GLU A 38 -10.837 13.482 16.647 1.00 45.42 O ATOM 565 CB GLU A 38 -10.210 16.737 16.274 1.00 11.51 C ATOM 566 CG GLU A 38 -11.188 17.900 16.298 1.00 0.23 C ATOM 567 CD GLU A 38 -12.420 17.644 15.453 1.00 73.23 C ATOM 568 OE1 GLU A 38 -12.271 17.468 14.225 1.00 24.23 O ATOM 569 OE2 GLU A 38 -13.534 17.619 16.018 1.00 44.35 O ATOM 0 H GLU A 38 -9.042 16.898 18.449 1.00 63.41 H new ATOM 0 HA GLU A 38 -11.492 15.697 17.651 1.00 52.12 H new ATOM 0 HB2 GLU A 38 -9.194 17.126 16.340 1.00 11.51 H new ATOM 0 HB3 GLU A 38 -10.293 16.223 15.316 1.00 11.51 H new ATOM 0 HG2 GLU A 38 -11.492 18.093 17.327 1.00 0.23 H new ATOM 0 HG3 GLU A 38 -10.687 18.799 15.939 1.00 0.23 H new ATOM 576 N VAL A 39 -8.691 14.116 16.891 1.00 33.24 N ATOM 577 CA VAL A 39 -8.149 12.829 16.472 1.00 41.35 C ATOM 578 C VAL A 39 -8.776 11.685 17.260 1.00 24.12 C ATOM 579 O VAL A 39 -8.888 10.563 16.764 1.00 31.03 O ATOM 580 CB VAL A 39 -6.619 12.781 16.646 1.00 53.22 C ATOM 581 CG1 VAL A 39 -6.125 11.343 16.634 1.00 74.41 C ATOM 582 CG2 VAL A 39 -5.934 13.598 15.561 1.00 60.13 C ATOM 0 H VAL A 39 -7.986 14.812 17.132 1.00 33.24 H new ATOM 0 HA VAL A 39 -8.391 12.713 15.416 1.00 41.35 H new ATOM 0 HB VAL A 39 -6.367 13.218 17.612 1.00 53.22 H new ATOM 0 HG11 VAL A 39 -5.042 11.329 16.758 1.00 74.41 H new ATOM 0 HG12 VAL A 39 -6.591 10.791 17.451 1.00 74.41 H new ATOM 0 HG13 VAL A 39 -6.387 10.876 15.685 1.00 74.41 H new ATOM 0 HG21 VAL A 39 -4.854 13.553 15.699 1.00 60.13 H new ATOM 0 HG22 VAL A 39 -6.192 13.192 14.583 1.00 60.13 H new ATOM 0 HG23 VAL A 39 -6.265 14.635 15.623 1.00 60.13 H new ATOM 592 N LEU A 40 -9.183 11.975 18.491 1.00 42.42 N ATOM 593 CA LEU A 40 -9.800 10.970 19.350 1.00 43.53 C ATOM 594 C LEU A 40 -11.064 10.408 18.708 1.00 12.15 C ATOM 595 O LEU A 40 -11.159 9.209 18.448 1.00 54.22 O ATOM 596 CB LEU A 40 -10.132 11.573 20.716 1.00 43.21 C ATOM 597 CG LEU A 40 -9.830 10.693 21.929 1.00 21.12 C ATOM 598 CD1 LEU A 40 -10.400 9.297 21.731 1.00 13.10 C ATOM 599 CD2 LEU A 40 -8.331 10.628 22.181 1.00 65.51 C ATOM 0 H LEU A 40 -9.097 12.898 18.917 1.00 42.42 H new ATOM 0 HA LEU A 40 -9.089 10.155 19.483 1.00 43.53 H new ATOM 0 HB2 LEU A 40 -9.579 12.506 20.823 1.00 43.21 H new ATOM 0 HB3 LEU A 40 -11.192 11.827 20.731 1.00 43.21 H new ATOM 0 HG LEU A 40 -10.306 11.137 22.803 1.00 21.12 H new ATOM 0 HD11 LEU A 40 -10.175 8.685 22.604 1.00 13.10 H new ATOM 0 HD12 LEU A 40 -11.480 9.360 21.601 1.00 13.10 H new ATOM 0 HD13 LEU A 40 -9.954 8.844 20.846 1.00 13.10 H new ATOM 0 HD21 LEU A 40 -8.135 9.997 23.048 1.00 65.51 H new ATOM 0 HD22 LEU A 40 -7.833 10.208 21.307 1.00 65.51 H new ATOM 0 HD23 LEU A 40 -7.950 11.632 22.369 1.00 65.51 H new ATOM 611 N ALA A 41 -12.032 11.283 18.455 1.00 72.31 N ATOM 612 CA ALA A 41 -13.289 10.874 17.840 1.00 11.21 C ATOM 613 C ALA A 41 -13.042 10.026 16.597 1.00 31.12 C ATOM 614 O ALA A 41 -13.832 9.141 16.272 1.00 72.55 O ATOM 615 CB ALA A 41 -14.127 12.095 17.490 1.00 2.22 C ATOM 0 H ALA A 41 -11.970 12.279 18.666 1.00 72.31 H new ATOM 0 HA ALA A 41 -13.836 10.265 18.560 1.00 11.21 H new ATOM 0 HB1 ALA A 41 -15.063 11.775 17.032 1.00 2.22 H new ATOM 0 HB2 ALA A 41 -14.342 12.661 18.397 1.00 2.22 H new ATOM 0 HB3 ALA A 41 -13.577 12.725 16.791 1.00 2.22 H new ATOM 621 N ALA A 42 -11.941 10.303 15.907 1.00 50.15 N ATOM 622 CA ALA A 42 -11.590 9.564 14.700 1.00 2.31 C ATOM 623 C ALA A 42 -10.863 8.268 15.042 1.00 35.13 C ATOM 624 O ALA A 42 -11.029 7.254 14.363 1.00 21.42 O ATOM 625 CB ALA A 42 -10.733 10.426 13.784 1.00 21.24 C ATOM 0 H ALA A 42 -11.277 11.033 16.163 1.00 50.15 H new ATOM 0 HA ALA A 42 -12.513 9.306 14.180 1.00 2.31 H new ATOM 0 HB1 ALA A 42 -10.478 9.862 12.887 1.00 21.24 H new ATOM 0 HB2 ALA A 42 -11.287 11.322 13.504 1.00 21.24 H new ATOM 0 HB3 ALA A 42 -9.819 10.712 14.304 1.00 21.24 H new ATOM 631 N LEU A 43 -10.058 8.307 16.098 1.00 14.31 N ATOM 632 CA LEU A 43 -9.305 7.135 16.530 1.00 34.04 C ATOM 633 C LEU A 43 -10.245 6.007 16.945 1.00 62.25 C ATOM 634 O LEU A 43 -10.099 4.869 16.498 1.00 10.24 O ATOM 635 CB LEU A 43 -8.382 7.498 17.695 1.00 41.35 C ATOM 636 CG LEU A 43 -7.039 8.123 17.316 1.00 43.21 C ATOM 637 CD1 LEU A 43 -6.278 8.548 18.562 1.00 44.30 C ATOM 638 CD2 LEU A 43 -6.211 7.149 16.490 1.00 54.34 C ATOM 0 H LEU A 43 -9.910 9.138 16.671 1.00 14.31 H new ATOM 0 HA LEU A 43 -8.702 6.791 15.690 1.00 34.04 H new ATOM 0 HB2 LEU A 43 -8.911 8.191 18.349 1.00 41.35 H new ATOM 0 HB3 LEU A 43 -8.190 6.595 18.275 1.00 41.35 H new ATOM 0 HG LEU A 43 -7.230 9.010 16.711 1.00 43.21 H new ATOM 0 HD11 LEU A 43 -5.325 8.991 18.273 1.00 44.30 H new ATOM 0 HD12 LEU A 43 -6.866 9.281 19.115 1.00 44.30 H new ATOM 0 HD13 LEU A 43 -6.097 7.678 19.193 1.00 44.30 H new ATOM 0 HD21 LEU A 43 -5.259 7.611 16.229 1.00 54.34 H new ATOM 0 HD22 LEU A 43 -6.029 6.244 17.069 1.00 54.34 H new ATOM 0 HD23 LEU A 43 -6.752 6.894 15.579 1.00 54.34 H new ATOM 650 N ALA A 44 -11.210 6.331 17.799 1.00 61.12 N ATOM 651 CA ALA A 44 -12.176 5.346 18.270 1.00 62.04 C ATOM 652 C ALA A 44 -12.943 4.729 17.105 1.00 65.21 C ATOM 653 O ALA A 44 -13.508 3.642 17.228 1.00 42.23 O ATOM 654 CB ALA A 44 -13.139 5.983 19.260 1.00 53.22 C ATOM 0 H ALA A 44 -11.344 7.268 18.179 1.00 61.12 H new ATOM 0 HA ALA A 44 -11.629 4.549 18.774 1.00 62.04 H new ATOM 0 HB1 ALA A 44 -13.855 5.236 19.603 1.00 53.22 H new ATOM 0 HB2 ALA A 44 -12.581 6.370 20.113 1.00 53.22 H new ATOM 0 HB3 ALA A 44 -13.672 6.800 18.774 1.00 53.22 H new ATOM 660 N SER A 45 -12.958 5.429 15.975 1.00 13.24 N ATOM 661 CA SER A 45 -13.660 4.952 14.790 1.00 70.34 C ATOM 662 C SER A 45 -12.725 4.146 13.893 1.00 50.14 C ATOM 663 O SER A 45 -13.079 3.068 13.415 1.00 20.25 O ATOM 664 CB SER A 45 -14.245 6.130 14.008 1.00 32.34 C ATOM 665 OG SER A 45 -15.194 6.837 14.787 1.00 12.24 O ATOM 0 H SER A 45 -12.492 6.328 15.856 1.00 13.24 H new ATOM 0 HA SER A 45 -14.473 4.303 15.116 1.00 70.34 H new ATOM 0 HB2 SER A 45 -13.443 6.804 13.705 1.00 32.34 H new ATOM 0 HB3 SER A 45 -14.717 5.766 13.095 1.00 32.34 H new ATOM 0 HG SER A 45 -14.745 7.561 15.272 1.00 12.24 H new ATOM 671 N LYS A 46 -11.528 4.678 13.667 1.00 34.21 N ATOM 672 CA LYS A 46 -10.540 4.010 12.829 1.00 43.22 C ATOM 673 C LYS A 46 -9.128 4.469 13.181 1.00 14.33 C ATOM 674 O LYS A 46 -8.942 5.508 13.816 1.00 12.03 O ATOM 675 CB LYS A 46 -10.823 4.287 11.351 1.00 53.43 C ATOM 676 CG LYS A 46 -10.931 3.030 10.506 1.00 65.22 C ATOM 677 CD LYS A 46 -10.153 3.162 9.207 1.00 4.52 C ATOM 678 CE LYS A 46 -8.652 3.112 9.449 1.00 62.21 C ATOM 679 NZ LYS A 46 -7.931 2.452 8.325 1.00 31.44 N ATOM 0 H LYS A 46 -11.219 5.570 14.053 1.00 34.21 H new ATOM 0 HA LYS A 46 -10.611 2.938 13.012 1.00 43.22 H new ATOM 0 HB2 LYS A 46 -11.752 4.852 11.267 1.00 53.43 H new ATOM 0 HB3 LYS A 46 -10.029 4.917 10.950 1.00 53.43 H new ATOM 0 HG2 LYS A 46 -10.555 2.177 11.071 1.00 65.22 H new ATOM 0 HG3 LYS A 46 -11.979 2.828 10.284 1.00 65.22 H new ATOM 0 HD2 LYS A 46 -10.440 2.360 8.527 1.00 4.52 H new ATOM 0 HD3 LYS A 46 -10.413 4.102 8.720 1.00 4.52 H new ATOM 0 HE2 LYS A 46 -8.271 4.125 9.580 1.00 62.21 H new ATOM 0 HE3 LYS A 46 -8.451 2.574 10.375 1.00 62.21 H new ATOM 0 HZ1 LYS A 46 -6.910 2.629 8.416 1.00 31.44 H new ATOM 0 HZ2 LYS A 46 -8.108 1.428 8.353 1.00 31.44 H new ATOM 0 HZ3 LYS A 46 -8.270 2.838 7.421 1.00 31.44 H new ATOM 693 N THR A 47 -8.136 3.690 12.764 1.00 24.43 N ATOM 694 CA THR A 47 -6.741 4.016 13.036 1.00 55.44 C ATOM 695 C THR A 47 -6.010 4.408 11.757 1.00 2.41 C ATOM 696 O THR A 47 -6.127 3.754 10.721 1.00 43.13 O ATOM 697 CB THR A 47 -6.005 2.834 13.693 1.00 11.01 C ATOM 698 OG1 THR A 47 -5.721 1.828 12.714 1.00 14.13 O ATOM 699 CG2 THR A 47 -6.838 2.235 14.817 1.00 42.15 C ATOM 0 H THR A 47 -8.272 2.828 12.236 1.00 24.43 H new ATOM 0 HA THR A 47 -6.742 4.861 13.725 1.00 55.44 H new ATOM 0 HB THR A 47 -5.070 3.205 14.113 1.00 11.01 H new ATOM 0 HG1 THR A 47 -5.251 1.081 13.140 1.00 14.13 H new ATOM 0 HG21 THR A 47 -6.298 1.402 15.266 1.00 42.15 H new ATOM 0 HG22 THR A 47 -7.027 2.995 15.575 1.00 42.15 H new ATOM 0 HG23 THR A 47 -7.787 1.878 14.416 1.00 42.15 H new ATOM 707 N PRO A 48 -5.235 5.501 11.829 1.00 55.32 N ATOM 708 CA PRO A 48 -4.468 6.004 10.686 1.00 51.24 C ATOM 709 C PRO A 48 -3.307 5.086 10.318 1.00 54.34 C ATOM 710 O PRO A 48 -2.941 4.196 11.084 1.00 22.44 O ATOM 711 CB PRO A 48 -3.945 7.357 11.176 1.00 35.45 C ATOM 712 CG PRO A 48 -3.904 7.231 12.660 1.00 22.43 C ATOM 713 CD PRO A 48 -5.049 6.330 13.032 1.00 72.12 C ATOM 0 HA PRO A 48 -5.077 6.069 9.784 1.00 51.24 H new ATOM 0 HB2 PRO A 48 -2.957 7.570 10.769 1.00 35.45 H new ATOM 0 HB3 PRO A 48 -4.600 8.171 10.866 1.00 35.45 H new ATOM 0 HG2 PRO A 48 -2.954 6.811 12.990 1.00 22.43 H new ATOM 0 HG3 PRO A 48 -4.004 8.206 13.137 1.00 22.43 H new ATOM 0 HD2 PRO A 48 -4.815 5.723 13.906 1.00 72.12 H new ATOM 0 HD3 PRO A 48 -5.947 6.899 13.271 1.00 72.12 H new ATOM 721 N ASP A 49 -2.733 5.309 9.141 1.00 40.52 N ATOM 722 CA ASP A 49 -1.612 4.503 8.672 1.00 71.01 C ATOM 723 C ASP A 49 -0.310 4.947 9.330 1.00 2.44 C ATOM 724 O ASP A 49 0.456 4.125 9.832 1.00 25.05 O ATOM 725 CB ASP A 49 -1.488 4.600 7.151 1.00 63.34 C ATOM 726 CG ASP A 49 -1.548 3.243 6.477 1.00 32.33 C ATOM 727 OD1 ASP A 49 -1.006 2.273 7.048 1.00 50.35 O ATOM 728 OD2 ASP A 49 -2.137 3.150 5.380 1.00 40.34 O ATOM 0 H ASP A 49 -3.026 6.041 8.494 1.00 40.52 H new ATOM 0 HA ASP A 49 -1.802 3.466 8.948 1.00 71.01 H new ATOM 0 HB2 ASP A 49 -2.288 5.230 6.764 1.00 63.34 H new ATOM 0 HB3 ASP A 49 -0.547 5.087 6.897 1.00 63.34 H new ATOM 733 N VAL A 50 -0.065 6.254 9.324 1.00 61.13 N ATOM 734 CA VAL A 50 1.145 6.808 9.920 1.00 15.22 C ATOM 735 C VAL A 50 0.908 8.228 10.424 1.00 62.51 C ATOM 736 O VAL A 50 1.230 9.202 9.742 1.00 31.32 O ATOM 737 CB VAL A 50 2.312 6.819 8.915 1.00 14.52 C ATOM 738 CG1 VAL A 50 3.540 7.473 9.530 1.00 13.30 C ATOM 739 CG2 VAL A 50 2.627 5.406 8.449 1.00 32.05 C ATOM 0 H VAL A 50 -0.689 6.949 8.913 1.00 61.13 H new ATOM 0 HA VAL A 50 1.407 6.166 10.761 1.00 15.22 H new ATOM 0 HB VAL A 50 2.015 7.406 8.046 1.00 14.52 H new ATOM 0 HG11 VAL A 50 4.354 7.472 8.805 1.00 13.30 H new ATOM 0 HG12 VAL A 50 3.304 8.500 9.809 1.00 13.30 H new ATOM 0 HG13 VAL A 50 3.843 6.917 10.417 1.00 13.30 H new ATOM 0 HG21 VAL A 50 3.454 5.433 7.739 1.00 32.05 H new ATOM 0 HG22 VAL A 50 2.905 4.793 9.307 1.00 32.05 H new ATOM 0 HG23 VAL A 50 1.749 4.978 7.966 1.00 32.05 H new ATOM 749 N LEU A 51 0.345 8.338 11.622 1.00 55.03 N ATOM 750 CA LEU A 51 0.065 9.639 12.219 1.00 50.54 C ATOM 751 C LEU A 51 1.256 10.131 13.035 1.00 40.32 C ATOM 752 O LEU A 51 1.981 9.337 13.635 1.00 2.24 O ATOM 753 CB LEU A 51 -1.178 9.559 13.107 1.00 61.14 C ATOM 754 CG LEU A 51 -1.626 10.869 13.755 1.00 4.22 C ATOM 755 CD1 LEU A 51 -3.128 10.862 13.992 1.00 22.43 C ATOM 756 CD2 LEU A 51 -0.879 11.100 15.061 1.00 41.31 C ATOM 0 H LEU A 51 0.073 7.542 12.199 1.00 55.03 H new ATOM 0 HA LEU A 51 -0.118 10.349 11.412 1.00 50.54 H new ATOM 0 HB2 LEU A 51 -2.003 9.172 12.509 1.00 61.14 H new ATOM 0 HB3 LEU A 51 -0.989 8.832 13.897 1.00 61.14 H new ATOM 0 HG LEU A 51 -1.391 11.688 13.075 1.00 4.22 H new ATOM 0 HD11 LEU A 51 -3.428 11.803 14.454 1.00 22.43 H new ATOM 0 HD12 LEU A 51 -3.646 10.744 13.040 1.00 22.43 H new ATOM 0 HD13 LEU A 51 -3.388 10.035 14.652 1.00 22.43 H new ATOM 0 HD21 LEU A 51 -1.210 12.037 15.509 1.00 41.31 H new ATOM 0 HD22 LEU A 51 -1.083 10.278 15.747 1.00 41.31 H new ATOM 0 HD23 LEU A 51 0.192 11.151 14.864 1.00 41.31 H new ATOM 768 N LEU A 52 1.451 11.445 13.054 1.00 0.21 N ATOM 769 CA LEU A 52 2.553 12.044 13.799 1.00 41.20 C ATOM 770 C LEU A 52 2.032 12.898 14.951 1.00 73.34 C ATOM 771 O LEU A 52 1.160 13.746 14.762 1.00 1.43 O ATOM 772 CB LEU A 52 3.419 12.896 12.869 1.00 25.15 C ATOM 773 CG LEU A 52 3.601 12.364 11.447 1.00 5.24 C ATOM 774 CD1 LEU A 52 2.469 12.840 10.551 1.00 42.24 C ATOM 775 CD2 LEU A 52 4.948 12.796 10.885 1.00 53.43 C ATOM 0 H LEU A 52 0.861 12.116 12.562 1.00 0.21 H new ATOM 0 HA LEU A 52 3.159 11.238 14.214 1.00 41.20 H new ATOM 0 HB2 LEU A 52 2.981 13.892 12.809 1.00 25.15 H new ATOM 0 HB3 LEU A 52 4.404 13.007 13.323 1.00 25.15 H new ATOM 0 HG LEU A 52 3.576 11.275 11.480 1.00 5.24 H new ATOM 0 HD11 LEU A 52 2.615 12.452 9.543 1.00 42.24 H new ATOM 0 HD12 LEU A 52 1.518 12.480 10.944 1.00 42.24 H new ATOM 0 HD13 LEU A 52 2.461 13.930 10.523 1.00 42.24 H new ATOM 0 HD21 LEU A 52 5.061 12.409 9.872 1.00 53.43 H new ATOM 0 HD22 LEU A 52 5.002 13.884 10.865 1.00 53.43 H new ATOM 0 HD23 LEU A 52 5.747 12.405 11.514 1.00 53.43 H new ATOM 787 N SER A 53 2.573 12.668 16.143 1.00 53.12 N ATOM 788 CA SER A 53 2.161 13.415 17.326 1.00 70.23 C ATOM 789 C SER A 53 3.049 14.638 17.532 1.00 12.30 C ATOM 790 O SER A 53 4.236 14.620 17.206 1.00 31.41 O ATOM 791 CB SER A 53 2.213 12.518 18.564 1.00 13.33 C ATOM 792 OG SER A 53 3.523 12.465 19.101 1.00 63.23 O ATOM 0 H SER A 53 3.297 11.971 16.315 1.00 53.12 H new ATOM 0 HA SER A 53 1.136 13.753 17.174 1.00 70.23 H new ATOM 0 HB2 SER A 53 1.522 12.894 19.319 1.00 13.33 H new ATOM 0 HB3 SER A 53 1.883 11.513 18.303 1.00 13.33 H new ATOM 0 HG SER A 53 3.529 11.887 19.892 1.00 63.23 H new ATOM 798 N ASP A 54 2.464 15.700 18.075 1.00 4.43 N ATOM 799 CA ASP A 54 3.201 16.933 18.327 1.00 43.41 C ATOM 800 C ASP A 54 3.093 17.342 19.793 1.00 64.52 C ATOM 801 O ASP A 54 2.018 17.274 20.388 1.00 32.34 O ATOM 802 CB ASP A 54 2.677 18.057 17.432 1.00 42.52 C ATOM 803 CG ASP A 54 1.308 18.548 17.860 1.00 3.22 C ATOM 804 OD1 ASP A 54 0.493 17.715 18.307 1.00 72.22 O ATOM 805 OD2 ASP A 54 1.052 19.766 17.748 1.00 21.52 O ATOM 0 H ASP A 54 1.482 15.732 18.349 1.00 4.43 H new ATOM 0 HA ASP A 54 4.251 16.753 18.095 1.00 43.41 H new ATOM 0 HB2 ASP A 54 3.380 18.890 17.450 1.00 42.52 H new ATOM 0 HB3 ASP A 54 2.627 17.704 16.402 1.00 42.52 H new ATOM 810 N ILE A 55 4.214 17.764 20.368 1.00 23.20 N ATOM 811 CA ILE A 55 4.245 18.182 21.764 1.00 41.51 C ATOM 812 C ILE A 55 4.512 19.679 21.883 1.00 4.11 C ATOM 813 O ILE A 55 5.505 20.097 22.479 1.00 2.12 O ATOM 814 CB ILE A 55 5.319 17.416 22.558 1.00 61.20 C ATOM 815 CG1 ILE A 55 6.657 17.455 21.817 1.00 3.03 C ATOM 816 CG2 ILE A 55 4.879 15.978 22.792 1.00 1.33 C ATOM 817 CD1 ILE A 55 6.844 16.311 20.846 1.00 71.14 C ATOM 0 H ILE A 55 5.112 17.825 19.889 1.00 23.20 H new ATOM 0 HA ILE A 55 3.265 17.955 22.183 1.00 41.51 H new ATOM 0 HB ILE A 55 5.447 17.899 23.527 1.00 61.20 H new ATOM 0 HG12 ILE A 55 6.735 18.397 21.275 1.00 3.03 H new ATOM 0 HG13 ILE A 55 7.467 17.438 22.546 1.00 3.03 H new ATOM 0 HG21 ILE A 55 5.648 15.449 23.354 1.00 1.33 H new ATOM 0 HG22 ILE A 55 3.947 15.970 23.357 1.00 1.33 H new ATOM 0 HG23 ILE A 55 4.726 15.484 21.833 1.00 1.33 H new ATOM 0 HD11 ILE A 55 7.814 16.403 20.357 1.00 71.14 H new ATOM 0 HD12 ILE A 55 6.798 15.365 21.385 1.00 71.14 H new ATOM 0 HD13 ILE A 55 6.055 16.339 20.095 1.00 71.14 H new ATOM 829 N ARG A 56 3.619 20.481 21.314 1.00 51.33 N ATOM 830 CA ARG A 56 3.758 21.932 21.357 1.00 73.03 C ATOM 831 C ARG A 56 2.530 22.614 20.759 1.00 63.53 C ATOM 832 O ARG A 56 2.649 23.466 19.879 1.00 14.23 O ATOM 833 CB ARG A 56 5.015 22.368 20.602 1.00 72.13 C ATOM 834 CG ARG A 56 5.370 23.832 20.804 1.00 73.11 C ATOM 835 CD ARG A 56 5.716 24.508 19.487 1.00 50.33 C ATOM 836 NE ARG A 56 5.285 25.903 19.458 1.00 42.50 N ATOM 837 CZ ARG A 56 5.191 26.621 18.344 1.00 64.21 C ATOM 838 NH1 ARG A 56 5.496 26.077 17.174 1.00 40.03 N ATOM 839 NH2 ARG A 56 4.792 27.885 18.399 1.00 73.10 N ATOM 0 H ARG A 56 2.791 20.151 20.818 1.00 51.33 H new ATOM 0 HA ARG A 56 3.847 22.232 22.401 1.00 73.03 H new ATOM 0 HB2 ARG A 56 5.854 21.752 20.924 1.00 72.13 H new ATOM 0 HB3 ARG A 56 4.872 22.181 19.538 1.00 72.13 H new ATOM 0 HG2 ARG A 56 4.532 24.350 21.271 1.00 73.11 H new ATOM 0 HG3 ARG A 56 6.215 23.912 21.488 1.00 73.11 H new ATOM 0 HD2 ARG A 56 6.793 24.458 19.326 1.00 50.33 H new ATOM 0 HD3 ARG A 56 5.245 23.966 18.667 1.00 50.33 H new ATOM 0 HE ARG A 56 5.043 26.351 20.342 1.00 42.50 H new ATOM 0 HH11 ARG A 56 5.803 25.106 17.128 1.00 40.03 H new ATOM 0 HH12 ARG A 56 5.423 26.630 16.320 1.00 40.03 H new ATOM 0 HH21 ARG A 56 4.557 28.307 19.297 1.00 73.10 H new ATOM 0 HH22 ARG A 56 4.720 28.435 17.543 1.00 73.10 H new ATOM 853 N MET A 57 1.353 22.231 21.242 1.00 20.31 N ATOM 854 CA MET A 57 0.104 22.806 20.756 1.00 62.54 C ATOM 855 C MET A 57 -0.829 23.138 21.915 1.00 12.33 C ATOM 856 O MET A 57 -0.729 22.575 23.006 1.00 42.24 O ATOM 857 CB MET A 57 -0.586 21.838 19.792 1.00 41.53 C ATOM 858 CG MET A 57 -0.571 20.394 20.265 1.00 3.13 C ATOM 859 SD MET A 57 -1.891 19.409 19.532 1.00 63.21 S ATOM 860 CE MET A 57 -1.635 17.837 20.352 1.00 72.13 C ATOM 0 H MET A 57 1.238 21.525 21.969 1.00 20.31 H new ATOM 0 HA MET A 57 0.340 23.729 20.227 1.00 62.54 H new ATOM 0 HB2 MET A 57 -1.619 22.154 19.650 1.00 41.53 H new ATOM 0 HB3 MET A 57 -0.098 21.898 18.819 1.00 41.53 H new ATOM 0 HG2 MET A 57 0.391 19.945 20.019 1.00 3.13 H new ATOM 0 HG3 MET A 57 -0.665 20.370 21.351 1.00 3.13 H new ATOM 0 HE1 MET A 57 -1.903 17.026 19.675 1.00 72.13 H new ATOM 0 HE2 MET A 57 -0.587 17.741 20.636 1.00 72.13 H new ATOM 0 HE3 MET A 57 -2.259 17.786 21.244 1.00 72.13 H new ATOM 870 N PRO A 58 -1.759 24.075 21.678 1.00 52.14 N ATOM 871 CA PRO A 58 -2.728 24.503 22.691 1.00 54.44 C ATOM 872 C PRO A 58 -3.757 23.422 23.003 1.00 61.22 C ATOM 873 O PRO A 58 -4.366 23.421 24.071 1.00 33.15 O ATOM 874 CB PRO A 58 -3.405 25.714 22.044 1.00 15.51 C ATOM 875 CG PRO A 58 -3.251 25.497 20.578 1.00 3.44 C ATOM 876 CD PRO A 58 -1.937 24.788 20.401 1.00 23.04 C ATOM 0 HA PRO A 58 -2.249 24.723 23.645 1.00 54.44 H new ATOM 0 HB2 PRO A 58 -4.456 25.778 22.326 1.00 15.51 H new ATOM 0 HB3 PRO A 58 -2.934 26.645 22.358 1.00 15.51 H new ATOM 0 HG2 PRO A 58 -4.073 24.900 20.183 1.00 3.44 H new ATOM 0 HG3 PRO A 58 -3.259 26.445 20.040 1.00 3.44 H new ATOM 0 HD2 PRO A 58 -1.963 24.099 19.556 1.00 23.04 H new ATOM 0 HD3 PRO A 58 -1.124 25.490 20.216 1.00 23.04 H new ATOM 884 N GLY A 59 -3.945 22.501 22.062 1.00 22.23 N ATOM 885 CA GLY A 59 -4.900 21.426 22.257 1.00 53.01 C ATOM 886 C GLY A 59 -4.698 20.702 23.573 1.00 32.20 C ATOM 887 O GLY A 59 -5.391 20.976 24.553 1.00 45.43 O ATOM 0 H GLY A 59 -3.453 22.481 21.169 1.00 22.23 H new ATOM 0 HA2 GLY A 59 -5.911 21.832 22.221 1.00 53.01 H new ATOM 0 HA3 GLY A 59 -4.813 20.713 21.437 1.00 53.01 H new ATOM 891 N MET A 60 -3.748 19.773 23.596 1.00 71.13 N ATOM 892 CA MET A 60 -3.458 19.007 24.802 1.00 63.50 C ATOM 893 C MET A 60 -1.961 18.742 24.931 1.00 70.54 C ATOM 894 O MET A 60 -1.248 19.474 25.617 1.00 72.01 O ATOM 895 CB MET A 60 -4.223 17.682 24.787 1.00 64.32 C ATOM 896 CG MET A 60 -5.521 17.721 25.576 1.00 73.33 C ATOM 897 SD MET A 60 -6.596 16.318 25.215 1.00 44.31 S ATOM 898 CE MET A 60 -6.900 16.566 23.467 1.00 24.52 C ATOM 0 H MET A 60 -3.166 19.533 22.793 1.00 71.13 H new ATOM 0 HA MET A 60 -3.780 19.594 25.662 1.00 63.50 H new ATOM 0 HB2 MET A 60 -4.443 17.411 23.755 1.00 64.32 H new ATOM 0 HB3 MET A 60 -3.584 16.898 25.193 1.00 64.32 H new ATOM 0 HG2 MET A 60 -5.293 17.735 26.642 1.00 73.33 H new ATOM 0 HG3 MET A 60 -6.051 18.647 25.351 1.00 73.33 H new ATOM 0 HE1 MET A 60 -7.777 15.994 23.165 1.00 24.52 H new ATOM 0 HE2 MET A 60 -7.074 17.625 23.275 1.00 24.52 H new ATOM 0 HE3 MET A 60 -6.034 16.231 22.896 1.00 24.52 H new ATOM 908 N ASP A 61 -1.492 17.691 24.267 1.00 63.21 N ATOM 909 CA ASP A 61 -0.079 17.330 24.307 1.00 74.23 C ATOM 910 C ASP A 61 0.180 16.060 23.501 1.00 10.53 C ATOM 911 O ASP A 61 -0.654 15.157 23.462 1.00 51.04 O ATOM 912 CB ASP A 61 0.378 17.134 25.753 1.00 63.42 C ATOM 913 CG ASP A 61 -0.575 16.264 26.549 1.00 51.41 C ATOM 914 OD1 ASP A 61 -1.725 16.697 26.773 1.00 60.54 O ATOM 915 OD2 ASP A 61 -0.171 15.152 26.949 1.00 12.21 O ATOM 0 H ASP A 61 -2.069 17.074 23.695 1.00 63.21 H new ATOM 0 HA ASP A 61 0.492 18.144 23.861 1.00 74.23 H new ATOM 0 HB2 ASP A 61 1.370 16.681 25.759 1.00 63.42 H new ATOM 0 HB3 ASP A 61 0.468 18.106 26.237 1.00 63.42 H new ATOM 920 N GLY A 62 1.343 16.000 22.859 1.00 53.20 N ATOM 921 CA GLY A 62 1.691 14.838 22.062 1.00 14.31 C ATOM 922 C GLY A 62 1.635 13.551 22.860 1.00 65.42 C ATOM 923 O GLY A 62 1.499 12.466 22.293 1.00 73.51 O ATOM 0 H GLY A 62 2.050 16.735 22.877 1.00 53.20 H new ATOM 0 HA2 GLY A 62 1.010 14.766 21.214 1.00 14.31 H new ATOM 0 HA3 GLY A 62 2.694 14.967 21.656 1.00 14.31 H new ATOM 927 N LEU A 63 1.744 13.668 24.179 1.00 53.55 N ATOM 928 CA LEU A 63 1.707 12.504 25.056 1.00 21.14 C ATOM 929 C LEU A 63 0.270 12.132 25.408 1.00 62.45 C ATOM 930 O LEU A 63 -0.010 10.999 25.799 1.00 1.10 O ATOM 931 CB LEU A 63 2.502 12.779 26.334 1.00 34.23 C ATOM 932 CG LEU A 63 4.024 12.746 26.198 1.00 3.41 C ATOM 933 CD1 LEU A 63 4.682 13.385 27.411 1.00 5.22 C ATOM 934 CD2 LEU A 63 4.513 11.317 26.015 1.00 40.04 C ATOM 0 H LEU A 63 1.859 14.558 24.664 1.00 53.55 H new ATOM 0 HA LEU A 63 2.160 11.666 24.526 1.00 21.14 H new ATOM 0 HB2 LEU A 63 2.212 13.759 26.714 1.00 34.23 H new ATOM 0 HB3 LEU A 63 2.208 12.046 27.085 1.00 34.23 H new ATOM 0 HG LEU A 63 4.303 13.320 25.314 1.00 3.41 H new ATOM 0 HD11 LEU A 63 5.765 13.352 27.297 1.00 5.22 H new ATOM 0 HD12 LEU A 63 4.357 14.422 27.497 1.00 5.22 H new ATOM 0 HD13 LEU A 63 4.396 12.839 28.310 1.00 5.22 H new ATOM 0 HD21 LEU A 63 5.599 11.313 25.920 1.00 40.04 H new ATOM 0 HD22 LEU A 63 4.222 10.720 26.879 1.00 40.04 H new ATOM 0 HD23 LEU A 63 4.069 10.893 25.115 1.00 40.04 H new ATOM 946 N ALA A 64 -0.637 13.092 25.263 1.00 43.14 N ATOM 947 CA ALA A 64 -2.045 12.864 25.560 1.00 33.12 C ATOM 948 C ALA A 64 -2.719 12.068 24.448 1.00 74.20 C ATOM 949 O ALA A 64 -3.560 11.206 24.709 1.00 10.10 O ATOM 950 CB ALA A 64 -2.761 14.190 25.772 1.00 75.44 C ATOM 0 H ALA A 64 -0.421 14.036 24.941 1.00 43.14 H new ATOM 0 HA ALA A 64 -2.107 12.279 26.478 1.00 33.12 H new ATOM 0 HB1 ALA A 64 -3.812 14.005 25.993 1.00 75.44 H new ATOM 0 HB2 ALA A 64 -2.303 14.722 26.606 1.00 75.44 H new ATOM 0 HB3 ALA A 64 -2.681 14.795 24.869 1.00 75.44 H new ATOM 956 N LEU A 65 -2.347 12.361 23.207 1.00 3.42 N ATOM 957 CA LEU A 65 -2.916 11.673 22.054 1.00 32.10 C ATOM 958 C LEU A 65 -2.148 10.390 21.752 1.00 51.33 C ATOM 959 O LEU A 65 -2.739 9.367 21.403 1.00 13.42 O ATOM 960 CB LEU A 65 -2.902 12.590 20.830 1.00 73.13 C ATOM 961 CG LEU A 65 -3.797 12.167 19.664 1.00 32.02 C ATOM 962 CD1 LEU A 65 -5.264 12.265 20.054 1.00 2.33 C ATOM 963 CD2 LEU A 65 -3.512 13.019 18.436 1.00 2.12 C ATOM 0 H LEU A 65 -1.653 13.071 22.973 1.00 3.42 H new ATOM 0 HA LEU A 65 -3.947 11.410 22.291 1.00 32.10 H new ATOM 0 HB2 LEU A 65 -3.200 13.590 21.146 1.00 73.13 H new ATOM 0 HB3 LEU A 65 -1.877 12.663 20.467 1.00 73.13 H new ATOM 0 HG LEU A 65 -3.576 11.128 19.420 1.00 32.02 H new ATOM 0 HD11 LEU A 65 -5.885 11.960 19.212 1.00 2.33 H new ATOM 0 HD12 LEU A 65 -5.459 11.611 20.904 1.00 2.33 H new ATOM 0 HD13 LEU A 65 -5.500 13.294 20.326 1.00 2.33 H new ATOM 0 HD21 LEU A 65 -4.158 12.704 17.617 1.00 2.12 H new ATOM 0 HD22 LEU A 65 -3.704 14.067 18.667 1.00 2.12 H new ATOM 0 HD23 LEU A 65 -2.469 12.898 18.143 1.00 2.12 H new ATOM 975 N LEU A 66 -0.828 10.451 21.889 1.00 12.01 N ATOM 976 CA LEU A 66 0.022 9.293 21.633 1.00 53.40 C ATOM 977 C LEU A 66 -0.266 8.175 22.630 1.00 3.51 C ATOM 978 O LEU A 66 -0.080 6.996 22.328 1.00 5.44 O ATOM 979 CB LEU A 66 1.497 9.692 21.708 1.00 54.32 C ATOM 980 CG LEU A 66 2.508 8.556 21.553 1.00 30.00 C ATOM 981 CD1 LEU A 66 2.605 8.122 20.099 1.00 72.03 C ATOM 982 CD2 LEU A 66 3.872 8.981 22.077 1.00 41.14 C ATOM 0 H LEU A 66 -0.323 11.290 22.176 1.00 12.01 H new ATOM 0 HA LEU A 66 -0.198 8.926 20.631 1.00 53.40 H new ATOM 0 HB2 LEU A 66 1.692 10.433 20.933 1.00 54.32 H new ATOM 0 HB3 LEU A 66 1.673 10.179 22.667 1.00 54.32 H new ATOM 0 HG LEU A 66 2.163 7.706 22.142 1.00 30.00 H new ATOM 0 HD11 LEU A 66 3.329 7.313 20.008 1.00 72.03 H new ATOM 0 HD12 LEU A 66 1.630 7.776 19.757 1.00 72.03 H new ATOM 0 HD13 LEU A 66 2.926 8.966 19.488 1.00 72.03 H new ATOM 0 HD21 LEU A 66 4.579 8.160 21.959 1.00 41.14 H new ATOM 0 HD22 LEU A 66 4.224 9.847 21.516 1.00 41.14 H new ATOM 0 HD23 LEU A 66 3.791 9.241 23.132 1.00 41.14 H new ATOM 994 N LYS A 67 -0.723 8.553 23.819 1.00 4.41 N ATOM 995 CA LYS A 67 -1.040 7.584 24.861 1.00 60.22 C ATOM 996 C LYS A 67 -2.143 6.635 24.403 1.00 32.02 C ATOM 997 O LYS A 67 -2.308 5.549 24.957 1.00 33.42 O ATOM 998 CB LYS A 67 -1.470 8.303 26.142 1.00 61.34 C ATOM 999 CG LYS A 67 -1.970 7.365 27.227 1.00 50.12 C ATOM 1000 CD LYS A 67 -2.374 8.126 28.478 1.00 31.05 C ATOM 1001 CE LYS A 67 -3.569 7.480 29.162 1.00 31.42 C ATOM 1002 NZ LYS A 67 -3.150 6.490 30.193 1.00 0.12 N ATOM 0 H LYS A 67 -0.882 9.525 24.085 1.00 4.41 H new ATOM 0 HA LYS A 67 -0.143 7.000 25.064 1.00 60.22 H new ATOM 0 HB2 LYS A 67 -0.626 8.875 26.528 1.00 61.34 H new ATOM 0 HB3 LYS A 67 -2.256 9.018 25.901 1.00 61.34 H new ATOM 0 HG2 LYS A 67 -2.822 6.797 26.854 1.00 50.12 H new ATOM 0 HG3 LYS A 67 -1.190 6.644 27.474 1.00 50.12 H new ATOM 0 HD2 LYS A 67 -1.533 8.162 29.170 1.00 31.05 H new ATOM 0 HD3 LYS A 67 -2.616 9.156 28.216 1.00 31.05 H new ATOM 0 HE2 LYS A 67 -4.182 8.252 29.628 1.00 31.42 H new ATOM 0 HE3 LYS A 67 -4.191 6.986 28.416 1.00 31.42 H new ATOM 0 HZ1 LYS A 67 -3.993 6.072 30.636 1.00 0.12 H new ATOM 0 HZ2 LYS A 67 -2.586 5.740 29.745 1.00 0.12 H new ATOM 0 HZ3 LYS A 67 -2.578 6.966 30.919 1.00 0.12 H new ATOM 1016 N GLN A 68 -2.894 7.053 23.389 1.00 64.42 N ATOM 1017 CA GLN A 68 -3.980 6.239 22.857 1.00 32.51 C ATOM 1018 C GLN A 68 -3.454 5.215 21.857 1.00 60.52 C ATOM 1019 O GLN A 68 -3.690 4.015 22.000 1.00 31.43 O ATOM 1020 CB GLN A 68 -5.032 7.127 22.190 1.00 21.33 C ATOM 1021 CG GLN A 68 -6.185 7.499 23.109 1.00 62.14 C ATOM 1022 CD GLN A 68 -7.516 7.546 22.385 1.00 42.44 C ATOM 1023 OE1 GLN A 68 -7.597 7.991 21.239 1.00 10.33 O ATOM 1024 NE2 GLN A 68 -8.569 7.087 23.050 1.00 22.32 N ATOM 0 H GLN A 68 -2.770 7.950 22.920 1.00 64.42 H new ATOM 0 HA GLN A 68 -4.440 5.705 23.688 1.00 32.51 H new ATOM 0 HB2 GLN A 68 -4.553 8.039 21.834 1.00 21.33 H new ATOM 0 HB3 GLN A 68 -5.428 6.612 21.314 1.00 21.33 H new ATOM 0 HG2 GLN A 68 -6.244 6.776 23.923 1.00 62.14 H new ATOM 0 HG3 GLN A 68 -5.986 8.471 23.560 1.00 62.14 H new ATOM 0 HE21 GLN A 68 -8.456 6.727 23.998 1.00 22.32 H new ATOM 0 HE22 GLN A 68 -9.491 7.094 22.613 1.00 22.32 H new ATOM 1033 N ILE A 69 -2.741 5.696 20.844 1.00 1.24 N ATOM 1034 CA ILE A 69 -2.181 4.822 19.821 1.00 11.21 C ATOM 1035 C ILE A 69 -1.107 3.910 20.404 1.00 12.14 C ATOM 1036 O ILE A 69 -0.808 2.852 19.851 1.00 21.32 O ATOM 1037 CB ILE A 69 -1.575 5.632 18.659 1.00 34.32 C ATOM 1038 CG1 ILE A 69 -0.521 6.608 19.184 1.00 0.14 C ATOM 1039 CG2 ILE A 69 -2.668 6.377 17.907 1.00 3.21 C ATOM 1040 CD1 ILE A 69 0.071 7.494 18.110 1.00 32.32 C ATOM 0 H ILE A 69 -2.538 6.686 20.710 1.00 1.24 H new ATOM 0 HA ILE A 69 -3.003 4.215 19.441 1.00 11.21 H new ATOM 0 HB ILE A 69 -1.091 4.942 17.968 1.00 34.32 H new ATOM 0 HG12 ILE A 69 -0.970 7.235 19.954 1.00 0.14 H new ATOM 0 HG13 ILE A 69 0.280 6.043 19.660 1.00 0.14 H new ATOM 0 HG21 ILE A 69 -2.225 6.945 17.089 1.00 3.21 H new ATOM 0 HG22 ILE A 69 -3.386 5.662 17.505 1.00 3.21 H new ATOM 0 HG23 ILE A 69 -3.178 7.059 18.587 1.00 3.21 H new ATOM 0 HD11 ILE A 69 0.811 8.160 18.555 1.00 32.32 H new ATOM 0 HD12 ILE A 69 0.550 6.875 17.351 1.00 32.32 H new ATOM 0 HD13 ILE A 69 -0.720 8.086 17.650 1.00 32.32 H new ATOM 1052 N LYS A 70 -0.531 4.327 21.527 1.00 71.50 N ATOM 1053 CA LYS A 70 0.508 3.547 22.189 1.00 32.32 C ATOM 1054 C LYS A 70 -0.104 2.493 23.107 1.00 53.13 C ATOM 1055 O LYS A 70 0.428 1.392 23.242 1.00 35.42 O ATOM 1056 CB LYS A 70 1.429 4.466 22.994 1.00 22.02 C ATOM 1057 CG LYS A 70 2.503 5.137 22.155 1.00 30.11 C ATOM 1058 CD LYS A 70 3.597 4.158 21.763 1.00 3.24 C ATOM 1059 CE LYS A 70 4.968 4.818 21.781 1.00 74.02 C ATOM 1060 NZ LYS A 70 5.508 5.011 20.407 1.00 53.25 N ATOM 0 H LYS A 70 -0.766 5.201 21.997 1.00 71.50 H new ATOM 0 HA LYS A 70 1.091 3.040 21.421 1.00 32.32 H new ATOM 0 HB2 LYS A 70 0.827 5.234 23.481 1.00 22.02 H new ATOM 0 HB3 LYS A 70 1.906 3.887 23.784 1.00 22.02 H new ATOM 0 HG2 LYS A 70 2.053 5.560 21.257 1.00 30.11 H new ATOM 0 HG3 LYS A 70 2.938 5.965 22.714 1.00 30.11 H new ATOM 0 HD2 LYS A 70 3.591 3.310 22.448 1.00 3.24 H new ATOM 0 HD3 LYS A 70 3.395 3.764 20.767 1.00 3.24 H new ATOM 0 HE2 LYS A 70 4.900 5.783 22.283 1.00 74.02 H new ATOM 0 HE3 LYS A 70 5.659 4.205 22.360 1.00 74.02 H new ATOM 0 HZ1 LYS A 70 6.443 5.463 20.462 1.00 53.25 H new ATOM 0 HZ2 LYS A 70 5.597 4.088 19.936 1.00 53.25 H new ATOM 0 HZ3 LYS A 70 4.862 5.617 19.862 1.00 53.25 H new ATOM 1074 N GLN A 71 -1.225 2.839 23.733 1.00 64.23 N ATOM 1075 CA GLN A 71 -1.908 1.921 24.636 1.00 14.44 C ATOM 1076 C GLN A 71 -2.921 1.067 23.881 1.00 12.11 C ATOM 1077 O GLN A 71 -2.864 -0.162 23.921 1.00 5.00 O ATOM 1078 CB GLN A 71 -2.610 2.699 25.752 1.00 61.34 C ATOM 1079 CG GLN A 71 -1.651 3.354 26.733 1.00 71.15 C ATOM 1080 CD GLN A 71 -1.238 2.423 27.855 1.00 22.40 C ATOM 1081 OE1 GLN A 71 -0.058 2.107 28.013 1.00 51.02 O ATOM 1082 NE2 GLN A 71 -2.209 1.977 28.643 1.00 74.12 N ATOM 0 H GLN A 71 -1.678 3.747 23.631 1.00 64.23 H new ATOM 0 HA GLN A 71 -1.161 1.261 25.076 1.00 14.44 H new ATOM 0 HB2 GLN A 71 -3.242 3.467 25.306 1.00 61.34 H new ATOM 0 HB3 GLN A 71 -3.268 2.022 26.297 1.00 61.34 H new ATOM 0 HG2 GLN A 71 -0.762 3.689 26.198 1.00 71.15 H new ATOM 0 HG3 GLN A 71 -2.121 4.242 27.157 1.00 71.15 H new ATOM 0 HE21 GLN A 71 -3.173 2.264 28.476 1.00 74.12 H new ATOM 0 HE22 GLN A 71 -1.991 1.347 29.415 1.00 74.12 H new ATOM 1091 N ARG A 72 -3.848 1.726 23.194 1.00 53.31 N ATOM 1092 CA ARG A 72 -4.875 1.027 22.431 1.00 60.03 C ATOM 1093 C ARG A 72 -4.251 -0.016 21.508 1.00 21.24 C ATOM 1094 O ARG A 72 -4.615 -1.192 21.547 1.00 11.03 O ATOM 1095 CB ARG A 72 -5.697 2.022 21.610 1.00 52.30 C ATOM 1096 CG ARG A 72 -7.135 1.584 21.383 1.00 23.11 C ATOM 1097 CD ARG A 72 -7.958 2.687 20.738 1.00 53.24 C ATOM 1098 NE ARG A 72 -9.243 2.195 20.247 1.00 41.53 N ATOM 1099 CZ ARG A 72 -10.299 1.994 21.026 1.00 13.25 C ATOM 1100 NH1 ARG A 72 -10.224 2.242 22.327 1.00 74.41 N ATOM 1101 NH2 ARG A 72 -11.434 1.545 20.506 1.00 60.15 N ATOM 0 H ARG A 72 -3.909 2.743 23.150 1.00 53.31 H new ATOM 0 HA ARG A 72 -5.532 0.518 23.136 1.00 60.03 H new ATOM 0 HB2 ARG A 72 -5.696 2.987 22.117 1.00 52.30 H new ATOM 0 HB3 ARG A 72 -5.214 2.169 20.644 1.00 52.30 H new ATOM 0 HG2 ARG A 72 -7.151 0.698 20.748 1.00 23.11 H new ATOM 0 HG3 ARG A 72 -7.585 1.302 22.335 1.00 23.11 H new ATOM 0 HD2 ARG A 72 -8.128 3.484 21.462 1.00 53.24 H new ATOM 0 HD3 ARG A 72 -7.396 3.122 19.911 1.00 53.24 H new ATOM 0 HE ARG A 72 -9.334 1.995 19.251 1.00 41.53 H new ATOM 0 HH11 ARG A 72 -9.354 2.588 22.731 1.00 74.41 H new ATOM 0 HH12 ARG A 72 -11.037 2.087 22.923 1.00 74.41 H new ATOM 0 HH21 ARG A 72 -11.496 1.354 19.506 1.00 60.15 H new ATOM 0 HH22 ARG A 72 -12.244 1.391 21.106 1.00 60.15 H new ATOM 1115 N HIS A 73 -3.309 0.422 20.679 1.00 12.30 N ATOM 1116 CA HIS A 73 -2.634 -0.474 19.747 1.00 52.45 C ATOM 1117 C HIS A 73 -1.338 0.149 19.238 1.00 65.35 C ATOM 1118 O HIS A 73 -1.291 0.760 18.170 1.00 70.44 O ATOM 1119 CB HIS A 73 -3.552 -0.804 18.569 1.00 42.31 C ATOM 1120 CG HIS A 73 -4.565 0.261 18.282 1.00 0.41 C ATOM 1121 ND1 HIS A 73 -5.891 0.157 18.647 1.00 63.34 N ATOM 1122 CD2 HIS A 73 -4.440 1.459 17.663 1.00 21.34 C ATOM 1123 CE1 HIS A 73 -6.538 1.243 18.263 1.00 64.31 C ATOM 1124 NE2 HIS A 73 -5.680 2.049 17.664 1.00 3.02 N ATOM 0 H HIS A 73 -2.996 1.392 20.634 1.00 12.30 H new ATOM 0 HA HIS A 73 -2.391 -1.395 20.277 1.00 52.45 H new ATOM 0 HB2 HIS A 73 -2.944 -0.964 17.679 1.00 42.31 H new ATOM 0 HB3 HIS A 73 -4.070 -1.741 18.774 1.00 42.31 H new ATOM 0 HD1 HIS A 73 -6.307 -0.635 19.137 1.00 63.34 H new ATOM 0 HD2 HIS A 73 -3.534 1.873 17.246 1.00 21.34 H new ATOM 0 HE1 HIS A 73 -7.589 1.438 18.413 1.00 64.31 H new ATOM 1132 N PRO A 74 -0.259 -0.008 20.019 1.00 64.12 N ATOM 1133 CA PRO A 74 1.058 0.531 19.668 1.00 43.45 C ATOM 1134 C PRO A 74 1.687 -0.198 18.485 1.00 21.12 C ATOM 1135 O PRO A 74 2.791 0.134 18.055 1.00 24.24 O ATOM 1136 CB PRO A 74 1.884 0.305 20.936 1.00 4.02 C ATOM 1137 CG PRO A 74 1.225 -0.844 21.618 1.00 51.05 C ATOM 1138 CD PRO A 74 -0.241 -0.725 21.305 1.00 11.21 C ATOM 0 HA PRO A 74 1.002 1.575 19.360 1.00 43.45 H new ATOM 0 HB2 PRO A 74 2.923 0.080 20.697 1.00 4.02 H new ATOM 0 HB3 PRO A 74 1.888 1.192 21.569 1.00 4.02 H new ATOM 0 HG2 PRO A 74 1.625 -1.792 21.259 1.00 51.05 H new ATOM 0 HG3 PRO A 74 1.398 -0.811 22.694 1.00 51.05 H new ATOM 0 HD2 PRO A 74 -0.716 -1.703 21.226 1.00 11.21 H new ATOM 0 HD3 PRO A 74 -0.774 -0.174 22.080 1.00 11.21 H new ATOM 1146 N MET A 75 0.976 -1.193 17.964 1.00 45.32 N ATOM 1147 CA MET A 75 1.465 -1.968 16.829 1.00 4.24 C ATOM 1148 C MET A 75 1.590 -1.093 15.586 1.00 2.33 C ATOM 1149 O MET A 75 2.228 -1.477 14.605 1.00 23.34 O ATOM 1150 CB MET A 75 0.529 -3.145 16.547 1.00 4.40 C ATOM 1151 CG MET A 75 1.060 -4.477 17.050 1.00 71.30 C ATOM 1152 SD MET A 75 1.408 -5.635 15.713 1.00 65.53 S ATOM 1153 CE MET A 75 3.060 -5.125 15.244 1.00 10.52 C ATOM 0 H MET A 75 0.060 -1.481 18.309 1.00 45.32 H new ATOM 0 HA MET A 75 2.453 -2.352 17.082 1.00 4.24 H new ATOM 0 HB2 MET A 75 -0.437 -2.950 17.012 1.00 4.40 H new ATOM 0 HB3 MET A 75 0.358 -3.214 15.473 1.00 4.40 H new ATOM 0 HG2 MET A 75 1.971 -4.307 17.625 1.00 71.30 H new ATOM 0 HG3 MET A 75 0.332 -4.921 17.730 1.00 71.30 H new ATOM 0 HE1 MET A 75 3.415 -5.750 14.425 1.00 10.52 H new ATOM 0 HE2 MET A 75 3.042 -4.083 14.924 1.00 10.52 H new ATOM 0 HE3 MET A 75 3.730 -5.231 16.097 1.00 10.52 H new ATOM 1163 N LEU A 76 0.977 0.085 15.634 1.00 44.05 N ATOM 1164 CA LEU A 76 1.020 1.015 14.510 1.00 11.25 C ATOM 1165 C LEU A 76 2.215 1.956 14.628 1.00 53.14 C ATOM 1166 O LEU A 76 2.679 2.277 15.722 1.00 34.31 O ATOM 1167 CB LEU A 76 -0.276 1.824 14.444 1.00 55.42 C ATOM 1168 CG LEU A 76 -0.314 3.102 15.283 1.00 32.12 C ATOM 1169 CD1 LEU A 76 -0.314 4.330 14.386 1.00 14.15 C ATOM 1170 CD2 LEU A 76 -1.532 3.105 16.195 1.00 35.02 C ATOM 0 H LEU A 76 0.445 0.419 16.438 1.00 44.05 H new ATOM 0 HA LEU A 76 1.127 0.435 13.593 1.00 11.25 H new ATOM 0 HB2 LEU A 76 -0.461 2.091 13.404 1.00 55.42 H new ATOM 0 HB3 LEU A 76 -1.098 1.182 14.760 1.00 55.42 H new ATOM 0 HG LEU A 76 0.581 3.132 15.905 1.00 32.12 H new ATOM 0 HD11 LEU A 76 -0.341 5.230 15.001 1.00 14.15 H new ATOM 0 HD12 LEU A 76 0.589 4.335 13.776 1.00 14.15 H new ATOM 0 HD13 LEU A 76 -1.190 4.307 13.738 1.00 14.15 H new ATOM 0 HD21 LEU A 76 -1.543 4.022 16.785 1.00 35.02 H new ATOM 0 HD22 LEU A 76 -2.438 3.051 15.592 1.00 35.02 H new ATOM 0 HD23 LEU A 76 -1.489 2.245 16.863 1.00 35.02 H new ATOM 1182 N PRO A 77 2.725 2.412 13.474 1.00 74.12 N ATOM 1183 CA PRO A 77 3.870 3.325 13.421 1.00 41.14 C ATOM 1184 C PRO A 77 3.524 4.719 13.932 1.00 42.40 C ATOM 1185 O PRO A 77 2.369 5.142 13.880 1.00 61.13 O ATOM 1186 CB PRO A 77 4.217 3.373 11.930 1.00 33.24 C ATOM 1187 CG PRO A 77 2.943 3.038 11.234 1.00 11.23 C ATOM 1188 CD PRO A 77 2.222 2.071 12.132 1.00 12.33 C ATOM 0 HA PRO A 77 4.691 2.986 14.053 1.00 41.14 H new ATOM 0 HB2 PRO A 77 4.580 4.359 11.639 1.00 33.24 H new ATOM 0 HB3 PRO A 77 5.003 2.659 11.683 1.00 33.24 H new ATOM 0 HG2 PRO A 77 2.344 3.933 11.064 1.00 11.23 H new ATOM 0 HG3 PRO A 77 3.137 2.594 10.258 1.00 11.23 H new ATOM 0 HD2 PRO A 77 1.141 2.191 12.066 1.00 12.33 H new ATOM 0 HD3 PRO A 77 2.445 1.037 11.870 1.00 12.33 H new ATOM 1196 N VAL A 78 4.533 5.431 14.426 1.00 33.52 N ATOM 1197 CA VAL A 78 4.335 6.778 14.946 1.00 42.52 C ATOM 1198 C VAL A 78 5.582 7.632 14.747 1.00 45.20 C ATOM 1199 O VAL A 78 6.700 7.187 15.011 1.00 50.23 O ATOM 1200 CB VAL A 78 3.975 6.756 16.443 1.00 24.32 C ATOM 1201 CG1 VAL A 78 3.788 8.171 16.969 1.00 20.41 C ATOM 1202 CG2 VAL A 78 2.725 5.921 16.678 1.00 44.03 C ATOM 0 H VAL A 78 5.495 5.097 14.477 1.00 33.52 H new ATOM 0 HA VAL A 78 3.506 7.213 14.388 1.00 42.52 H new ATOM 0 HB VAL A 78 4.799 6.297 16.990 1.00 24.32 H new ATOM 0 HG11 VAL A 78 3.534 8.135 18.028 1.00 20.41 H new ATOM 0 HG12 VAL A 78 4.712 8.734 16.836 1.00 20.41 H new ATOM 0 HG13 VAL A 78 2.984 8.660 16.420 1.00 20.41 H new ATOM 0 HG21 VAL A 78 2.485 5.916 17.741 1.00 44.03 H new ATOM 0 HG22 VAL A 78 1.892 6.348 16.120 1.00 44.03 H new ATOM 0 HG23 VAL A 78 2.901 4.899 16.341 1.00 44.03 H new ATOM 1212 N ILE A 79 5.384 8.861 14.281 1.00 72.41 N ATOM 1213 CA ILE A 79 6.493 9.778 14.048 1.00 33.54 C ATOM 1214 C ILE A 79 6.352 11.037 14.897 1.00 71.22 C ATOM 1215 O ILE A 79 5.258 11.584 15.037 1.00 35.51 O ATOM 1216 CB ILE A 79 6.589 10.180 12.565 1.00 60.32 C ATOM 1217 CG1 ILE A 79 6.592 8.935 11.675 1.00 32.45 C ATOM 1218 CG2 ILE A 79 7.838 11.013 12.322 1.00 3.41 C ATOM 1219 CD1 ILE A 79 6.489 9.247 10.199 1.00 74.51 C ATOM 0 H ILE A 79 4.466 9.244 14.057 1.00 72.41 H new ATOM 0 HA ILE A 79 7.404 9.251 14.332 1.00 33.54 H new ATOM 0 HB ILE A 79 5.718 10.783 12.311 1.00 60.32 H new ATOM 0 HG12 ILE A 79 7.507 8.371 11.856 1.00 32.45 H new ATOM 0 HG13 ILE A 79 5.760 8.292 11.961 1.00 32.45 H new ATOM 0 HG21 ILE A 79 7.892 11.289 11.269 1.00 3.41 H new ATOM 0 HG22 ILE A 79 7.798 11.915 12.932 1.00 3.41 H new ATOM 0 HG23 ILE A 79 8.721 10.432 12.590 1.00 3.41 H new ATOM 0 HD11 ILE A 79 6.497 8.318 9.629 1.00 74.51 H new ATOM 0 HD12 ILE A 79 5.561 9.784 10.005 1.00 74.51 H new ATOM 0 HD13 ILE A 79 7.335 9.865 9.898 1.00 74.51 H new ATOM 1231 N ILE A 80 7.466 11.492 15.459 1.00 43.52 N ATOM 1232 CA ILE A 80 7.468 12.689 16.291 1.00 55.32 C ATOM 1233 C ILE A 80 7.780 13.933 15.465 1.00 34.40 C ATOM 1234 O ILE A 80 8.731 13.949 14.684 1.00 32.24 O ATOM 1235 CB ILE A 80 8.491 12.577 17.436 1.00 12.54 C ATOM 1236 CG1 ILE A 80 8.376 11.214 18.121 1.00 71.22 C ATOM 1237 CG2 ILE A 80 8.285 13.700 18.442 1.00 15.13 C ATOM 1238 CD1 ILE A 80 6.997 10.929 18.673 1.00 54.03 C ATOM 0 H ILE A 80 8.379 11.050 15.354 1.00 43.52 H new ATOM 0 HA ILE A 80 6.468 12.779 16.716 1.00 55.32 H new ATOM 0 HB ILE A 80 9.493 12.669 17.018 1.00 12.54 H new ATOM 0 HG12 ILE A 80 8.641 10.434 17.407 1.00 71.22 H new ATOM 0 HG13 ILE A 80 9.101 11.162 18.933 1.00 71.22 H new ATOM 0 HG21 ILE A 80 9.016 13.607 19.246 1.00 15.13 H new ATOM 0 HG22 ILE A 80 8.412 14.662 17.945 1.00 15.13 H new ATOM 0 HG23 ILE A 80 7.279 13.637 18.857 1.00 15.13 H new ATOM 0 HD11 ILE A 80 6.990 9.946 19.144 1.00 54.03 H new ATOM 0 HD12 ILE A 80 6.737 11.687 19.411 1.00 54.03 H new ATOM 0 HD13 ILE A 80 6.269 10.948 17.862 1.00 54.03 H new ATOM 1250 N MET A 81 6.973 14.973 15.644 1.00 13.34 N ATOM 1251 CA MET A 81 7.165 16.223 14.918 1.00 71.02 C ATOM 1252 C MET A 81 6.749 17.417 15.771 1.00 52.34 C ATOM 1253 O MET A 81 5.626 17.474 16.273 1.00 32.00 O ATOM 1254 CB MET A 81 6.364 16.208 13.614 1.00 13.35 C ATOM 1255 CG MET A 81 4.891 15.885 13.810 1.00 43.51 C ATOM 1256 SD MET A 81 3.843 17.351 13.739 1.00 5.22 S ATOM 1257 CE MET A 81 2.264 16.618 13.320 1.00 11.20 C ATOM 0 H MET A 81 6.180 14.975 16.285 1.00 13.34 H new ATOM 0 HA MET A 81 8.225 16.319 14.684 1.00 71.02 H new ATOM 0 HB2 MET A 81 6.453 17.181 13.131 1.00 13.35 H new ATOM 0 HB3 MET A 81 6.802 15.475 12.937 1.00 13.35 H new ATOM 0 HG2 MET A 81 4.573 15.178 13.044 1.00 43.51 H new ATOM 0 HG3 MET A 81 4.756 15.393 14.773 1.00 43.51 H new ATOM 0 HE1 MET A 81 1.580 17.396 12.981 1.00 11.20 H new ATOM 0 HE2 MET A 81 2.403 15.885 12.525 1.00 11.20 H new ATOM 0 HE3 MET A 81 1.847 16.126 14.198 1.00 11.20 H new ATOM 1267 N THR A 82 7.661 18.371 15.931 1.00 41.00 N ATOM 1268 CA THR A 82 7.389 19.563 16.724 1.00 3.11 C ATOM 1269 C THR A 82 8.555 20.543 16.660 1.00 11.44 C ATOM 1270 O THR A 82 9.497 20.353 15.892 1.00 22.23 O ATOM 1271 CB THR A 82 7.113 19.207 18.197 1.00 72.10 C ATOM 1272 OG1 THR A 82 6.574 20.343 18.883 1.00 71.42 O ATOM 1273 CG2 THR A 82 8.386 18.746 18.891 1.00 51.44 C ATOM 0 H THR A 82 8.595 18.341 15.522 1.00 41.00 H new ATOM 0 HA THR A 82 6.501 20.030 16.298 1.00 3.11 H new ATOM 0 HB THR A 82 6.390 18.392 18.221 1.00 72.10 H new ATOM 0 HG1 THR A 82 5.990 20.845 18.277 1.00 71.42 H new ATOM 0 HG21 THR A 82 8.166 18.500 19.930 1.00 51.44 H new ATOM 0 HG22 THR A 82 8.777 17.864 18.385 1.00 51.44 H new ATOM 0 HG23 THR A 82 9.128 19.543 18.856 1.00 51.44 H new ATOM 1281 N ALA A 83 8.485 21.593 17.473 1.00 34.31 N ATOM 1282 CA ALA A 83 9.536 22.602 17.511 1.00 70.44 C ATOM 1283 C ALA A 83 10.503 22.345 18.662 1.00 74.33 C ATOM 1284 O ALA A 83 10.390 21.342 19.368 1.00 11.54 O ATOM 1285 CB ALA A 83 8.929 23.992 17.629 1.00 62.14 C ATOM 0 H ALA A 83 7.711 21.766 18.114 1.00 34.31 H new ATOM 0 HA ALA A 83 10.098 22.541 16.579 1.00 70.44 H new ATOM 0 HB1 ALA A 83 9.725 24.736 17.656 1.00 62.14 H new ATOM 0 HB2 ALA A 83 8.285 24.182 16.771 1.00 62.14 H new ATOM 0 HB3 ALA A 83 8.341 24.056 18.545 1.00 62.14 H new ATOM 1291 N HIS A 84 11.453 23.256 18.845 1.00 62.44 N ATOM 1292 CA HIS A 84 12.440 23.127 19.911 1.00 63.12 C ATOM 1293 C HIS A 84 11.761 22.863 21.251 1.00 11.53 C ATOM 1294 O HIS A 84 12.324 22.204 22.125 1.00 45.41 O ATOM 1295 CB HIS A 84 13.295 24.392 19.999 1.00 72.22 C ATOM 1296 CG HIS A 84 12.527 25.605 20.426 1.00 70.25 C ATOM 1297 ND1 HIS A 84 12.969 26.469 21.404 1.00 1.55 N ATOM 1298 CD2 HIS A 84 11.340 26.097 19.999 1.00 23.21 C ATOM 1299 CE1 HIS A 84 12.087 27.440 21.563 1.00 73.20 C ATOM 1300 NE2 HIS A 84 11.089 27.237 20.722 1.00 51.25 N ATOM 0 H HIS A 84 11.560 24.091 18.269 1.00 62.44 H new ATOM 0 HA HIS A 84 13.083 22.279 19.677 1.00 63.12 H new ATOM 0 HB2 HIS A 84 14.110 24.222 20.703 1.00 72.22 H new ATOM 0 HB3 HIS A 84 13.748 24.583 19.026 1.00 72.22 H new ATOM 0 HD2 HIS A 84 10.709 25.672 19.233 1.00 23.21 H new ATOM 0 HE1 HIS A 84 12.168 28.260 22.261 1.00 73.20 H new ATOM 0 HE2 HIS A 84 10.265 27.831 20.625 1.00 51.25 H new ATOM 1308 N SER A 85 10.548 23.383 21.407 1.00 55.44 N ATOM 1309 CA SER A 85 9.793 23.208 22.642 1.00 3.22 C ATOM 1310 C SER A 85 9.405 21.746 22.839 1.00 25.13 C ATOM 1311 O SER A 85 8.794 21.131 21.965 1.00 2.11 O ATOM 1312 CB SER A 85 8.538 24.083 22.627 1.00 62.12 C ATOM 1313 OG SER A 85 8.635 25.131 23.576 1.00 30.41 O ATOM 0 H SER A 85 10.067 23.929 20.693 1.00 55.44 H new ATOM 0 HA SER A 85 10.429 23.512 23.473 1.00 3.22 H new ATOM 0 HB2 SER A 85 8.395 24.502 21.631 1.00 62.12 H new ATOM 0 HB3 SER A 85 7.662 23.472 22.844 1.00 62.12 H new ATOM 0 HG SER A 85 7.821 25.676 23.545 1.00 30.41 H new ATOM 1319 N ASP A 86 9.765 21.195 23.993 1.00 5.54 N ATOM 1320 CA ASP A 86 9.455 19.806 24.307 1.00 20.45 C ATOM 1321 C ASP A 86 10.129 18.861 23.317 1.00 53.12 C ATOM 1322 O ASP A 86 9.680 17.732 23.116 1.00 21.31 O ATOM 1323 CB ASP A 86 7.942 19.583 24.295 1.00 51.32 C ATOM 1324 CG ASP A 86 7.518 18.434 25.188 1.00 61.21 C ATOM 1325 OD1 ASP A 86 7.767 17.268 24.814 1.00 41.41 O ATOM 1326 OD2 ASP A 86 6.938 18.700 26.261 1.00 23.33 O ATOM 0 H ASP A 86 10.272 21.690 24.727 1.00 5.54 H new ATOM 0 HA ASP A 86 9.838 19.591 25.305 1.00 20.45 H new ATOM 0 HB2 ASP A 86 7.441 20.495 24.619 1.00 51.32 H new ATOM 0 HB3 ASP A 86 7.615 19.385 23.274 1.00 51.32 H new ATOM 1331 N LEU A 87 11.207 19.331 22.699 1.00 31.12 N ATOM 1332 CA LEU A 87 11.943 18.529 21.728 1.00 73.31 C ATOM 1333 C LEU A 87 12.544 17.292 22.387 1.00 23.23 C ATOM 1334 O LEU A 87 12.863 16.311 21.715 1.00 21.22 O ATOM 1335 CB LEU A 87 13.048 19.364 21.080 1.00 3.11 C ATOM 1336 CG LEU A 87 14.126 18.583 20.328 1.00 61.05 C ATOM 1337 CD1 LEU A 87 13.526 17.863 19.130 1.00 34.01 C ATOM 1338 CD2 LEU A 87 15.248 19.512 19.886 1.00 33.11 C ATOM 0 H LEU A 87 11.591 20.263 22.853 1.00 31.12 H new ATOM 0 HA LEU A 87 11.244 18.204 20.958 1.00 73.31 H new ATOM 0 HB2 LEU A 87 12.586 20.066 20.386 1.00 3.11 H new ATOM 0 HB3 LEU A 87 13.532 19.956 21.857 1.00 3.11 H new ATOM 0 HG LEU A 87 14.544 17.836 21.003 1.00 61.05 H new ATOM 0 HD11 LEU A 87 14.308 17.313 18.607 1.00 34.01 H new ATOM 0 HD12 LEU A 87 12.759 17.168 19.470 1.00 34.01 H new ATOM 0 HD13 LEU A 87 13.081 18.592 18.453 1.00 34.01 H new ATOM 0 HD21 LEU A 87 16.006 18.939 19.352 1.00 33.11 H new ATOM 0 HD22 LEU A 87 14.845 20.282 19.228 1.00 33.11 H new ATOM 0 HD23 LEU A 87 15.697 19.982 20.761 1.00 33.11 H new ATOM 1350 N ASP A 88 12.695 17.345 23.706 1.00 33.01 N ATOM 1351 CA ASP A 88 13.255 16.228 24.457 1.00 31.34 C ATOM 1352 C ASP A 88 12.511 14.934 24.143 1.00 73.32 C ATOM 1353 O ASP A 88 13.112 13.863 24.066 1.00 5.10 O ATOM 1354 CB ASP A 88 13.194 16.513 25.959 1.00 41.42 C ATOM 1355 CG ASP A 88 14.142 15.637 26.754 1.00 73.23 C ATOM 1356 OD1 ASP A 88 15.355 15.655 26.459 1.00 52.14 O ATOM 1357 OD2 ASP A 88 13.670 14.932 27.671 1.00 61.45 O ATOM 0 H ASP A 88 12.437 18.150 24.277 1.00 33.01 H new ATOM 0 HA ASP A 88 14.297 16.109 24.159 1.00 31.34 H new ATOM 0 HB2 ASP A 88 13.437 17.561 26.137 1.00 41.42 H new ATOM 0 HB3 ASP A 88 12.175 16.357 26.314 1.00 41.42 H new ATOM 1362 N ALA A 89 11.198 15.041 23.963 1.00 63.33 N ATOM 1363 CA ALA A 89 10.372 13.880 23.656 1.00 63.44 C ATOM 1364 C ALA A 89 10.880 13.158 22.412 1.00 24.22 C ATOM 1365 O ALA A 89 10.649 11.961 22.240 1.00 43.54 O ATOM 1366 CB ALA A 89 8.922 14.299 23.469 1.00 35.42 C ATOM 0 H ALA A 89 10.684 15.920 24.025 1.00 63.33 H new ATOM 0 HA ALA A 89 10.434 13.189 24.496 1.00 63.44 H new ATOM 0 HB1 ALA A 89 8.316 13.422 23.240 1.00 35.42 H new ATOM 0 HB2 ALA A 89 8.556 14.763 24.385 1.00 35.42 H new ATOM 0 HB3 ALA A 89 8.852 15.012 22.648 1.00 35.42 H new ATOM 1372 N ALA A 90 11.573 13.893 21.548 1.00 31.13 N ATOM 1373 CA ALA A 90 12.115 13.322 20.321 1.00 14.05 C ATOM 1374 C ALA A 90 13.057 12.163 20.625 1.00 25.41 C ATOM 1375 O ALA A 90 13.111 11.182 19.883 1.00 34.31 O ATOM 1376 CB ALA A 90 12.834 14.392 19.514 1.00 1.30 C ATOM 0 H ALA A 90 11.772 14.885 21.675 1.00 31.13 H new ATOM 0 HA ALA A 90 11.284 12.935 19.731 1.00 14.05 H new ATOM 0 HB1 ALA A 90 13.234 13.952 18.601 1.00 1.30 H new ATOM 0 HB2 ALA A 90 12.133 15.186 19.257 1.00 1.30 H new ATOM 0 HB3 ALA A 90 13.651 14.806 20.105 1.00 1.30 H new ATOM 1382 N VAL A 91 13.801 12.282 21.720 1.00 21.25 N ATOM 1383 CA VAL A 91 14.742 11.243 22.122 1.00 2.24 C ATOM 1384 C VAL A 91 14.026 10.094 22.823 1.00 40.00 C ATOM 1385 O VAL A 91 14.190 8.931 22.456 1.00 63.33 O ATOM 1386 CB VAL A 91 15.830 11.803 23.059 1.00 74.13 C ATOM 1387 CG1 VAL A 91 16.908 10.759 23.309 1.00 15.42 C ATOM 1388 CG2 VAL A 91 16.431 13.073 22.477 1.00 53.42 C ATOM 0 H VAL A 91 13.770 13.088 22.345 1.00 21.25 H new ATOM 0 HA VAL A 91 15.212 10.873 21.211 1.00 2.24 H new ATOM 0 HB VAL A 91 15.370 12.051 24.015 1.00 74.13 H new ATOM 0 HG11 VAL A 91 17.668 11.172 23.973 1.00 15.42 H new ATOM 0 HG12 VAL A 91 16.462 9.879 23.772 1.00 15.42 H new ATOM 0 HG13 VAL A 91 17.368 10.477 22.362 1.00 15.42 H new ATOM 0 HG21 VAL A 91 17.197 13.455 23.151 1.00 53.42 H new ATOM 0 HG22 VAL A 91 16.878 12.853 21.507 1.00 53.42 H new ATOM 0 HG23 VAL A 91 15.649 13.823 22.355 1.00 53.42 H new ATOM 1398 N SER A 92 13.230 10.428 23.834 1.00 43.31 N ATOM 1399 CA SER A 92 12.491 9.424 24.589 1.00 73.21 C ATOM 1400 C SER A 92 11.696 8.517 23.654 1.00 51.43 C ATOM 1401 O SER A 92 11.554 7.321 23.904 1.00 71.12 O ATOM 1402 CB SER A 92 11.548 10.098 25.588 1.00 72.34 C ATOM 1403 OG SER A 92 11.640 9.492 26.865 1.00 21.41 O ATOM 0 H SER A 92 13.081 11.387 24.149 1.00 43.31 H new ATOM 0 HA SER A 92 13.210 8.813 25.135 1.00 73.21 H new ATOM 0 HB2 SER A 92 11.793 11.157 25.666 1.00 72.34 H new ATOM 0 HB3 SER A 92 10.522 10.034 25.225 1.00 72.34 H new ATOM 0 HG SER A 92 11.029 9.942 27.485 1.00 21.41 H new ATOM 1409 N ALA A 93 11.180 9.098 22.575 1.00 32.52 N ATOM 1410 CA ALA A 93 10.401 8.343 21.601 1.00 50.31 C ATOM 1411 C ALA A 93 11.215 7.192 21.020 1.00 1.11 C ATOM 1412 O ALA A 93 10.707 6.083 20.850 1.00 1.43 O ATOM 1413 CB ALA A 93 9.914 9.261 20.490 1.00 42.44 C ATOM 0 H ALA A 93 11.287 10.088 22.354 1.00 32.52 H new ATOM 0 HA ALA A 93 9.537 7.920 22.113 1.00 50.31 H new ATOM 0 HB1 ALA A 93 9.334 8.684 19.770 1.00 42.44 H new ATOM 0 HB2 ALA A 93 9.288 10.046 20.915 1.00 42.44 H new ATOM 0 HB3 ALA A 93 10.771 9.711 19.988 1.00 42.44 H new ATOM 1419 N TYR A 94 12.480 7.462 20.717 1.00 52.22 N ATOM 1420 CA TYR A 94 13.363 6.449 20.152 1.00 43.23 C ATOM 1421 C TYR A 94 13.474 5.244 21.080 1.00 30.31 C ATOM 1422 O TYR A 94 13.412 4.098 20.636 1.00 35.30 O ATOM 1423 CB TYR A 94 14.751 7.039 19.895 1.00 23.34 C ATOM 1424 CG TYR A 94 14.767 8.109 18.827 1.00 31.13 C ATOM 1425 CD1 TYR A 94 14.064 7.944 17.640 1.00 24.21 C ATOM 1426 CD2 TYR A 94 15.484 9.286 19.006 1.00 34.22 C ATOM 1427 CE1 TYR A 94 14.077 8.919 16.661 1.00 34.45 C ATOM 1428 CE2 TYR A 94 15.500 10.267 18.034 1.00 63.25 C ATOM 1429 CZ TYR A 94 14.796 10.078 16.863 1.00 53.31 C ATOM 1430 OH TYR A 94 14.809 11.052 15.891 1.00 42.40 O ATOM 0 H TYR A 94 12.917 8.374 20.853 1.00 52.22 H new ATOM 0 HA TYR A 94 12.935 6.117 19.206 1.00 43.23 H new ATOM 0 HB2 TYR A 94 15.135 7.460 20.824 1.00 23.34 H new ATOM 0 HB3 TYR A 94 15.429 6.237 19.604 1.00 23.34 H new ATOM 0 HD1 TYR A 94 13.498 7.038 17.480 1.00 24.21 H new ATOM 0 HD2 TYR A 94 16.038 9.436 19.921 1.00 34.22 H new ATOM 0 HE1 TYR A 94 13.527 8.774 15.743 1.00 34.45 H new ATOM 0 HE2 TYR A 94 16.061 11.177 18.190 1.00 63.25 H new ATOM 0 HH TYR A 94 15.361 11.805 16.189 1.00 42.40 H new ATOM 1440 N GLN A 95 13.638 5.513 22.371 1.00 21.43 N ATOM 1441 CA GLN A 95 13.758 4.450 23.363 1.00 15.51 C ATOM 1442 C GLN A 95 12.501 3.586 23.389 1.00 1.44 C ATOM 1443 O GLN A 95 12.550 2.416 23.767 1.00 51.12 O ATOM 1444 CB GLN A 95 14.011 5.045 24.750 1.00 63.34 C ATOM 1445 CG GLN A 95 15.256 5.915 24.820 1.00 31.32 C ATOM 1446 CD GLN A 95 15.543 6.410 26.224 1.00 54.41 C ATOM 1447 OE1 GLN A 95 14.685 6.345 27.105 1.00 52.30 O ATOM 1448 NE2 GLN A 95 16.754 6.910 26.440 1.00 71.23 N ATOM 0 H GLN A 95 13.691 6.457 22.755 1.00 21.43 H new ATOM 0 HA GLN A 95 14.604 3.821 23.085 1.00 15.51 H new ATOM 0 HB2 GLN A 95 13.146 5.639 25.045 1.00 63.34 H new ATOM 0 HB3 GLN A 95 14.103 4.234 25.473 1.00 63.34 H new ATOM 0 HG2 GLN A 95 16.113 5.347 24.457 1.00 31.32 H new ATOM 0 HG3 GLN A 95 15.135 6.770 24.155 1.00 31.32 H new ATOM 0 HE21 GLN A 95 17.434 6.945 25.681 1.00 71.23 H new ATOM 0 HE22 GLN A 95 17.004 7.259 27.365 1.00 71.23 H new ATOM 1457 N GLN A 96 11.378 4.172 22.987 1.00 72.34 N ATOM 1458 CA GLN A 96 10.108 3.455 22.965 1.00 24.55 C ATOM 1459 C GLN A 96 9.909 2.740 21.633 1.00 22.41 C ATOM 1460 O GLN A 96 9.111 1.809 21.530 1.00 50.23 O ATOM 1461 CB GLN A 96 8.949 4.420 23.218 1.00 30.32 C ATOM 1462 CG GLN A 96 8.346 4.295 24.608 1.00 54.10 C ATOM 1463 CD GLN A 96 7.568 5.530 25.019 1.00 21.24 C ATOM 1464 OE1 GLN A 96 8.142 6.506 25.503 1.00 53.20 O ATOM 1465 NE2 GLN A 96 6.254 5.493 24.829 1.00 4.22 N ATOM 0 H GLN A 96 11.321 5.141 22.672 1.00 72.34 H new ATOM 0 HA GLN A 96 10.128 2.707 23.758 1.00 24.55 H new ATOM 0 HB2 GLN A 96 9.300 5.442 23.074 1.00 30.32 H new ATOM 0 HB3 GLN A 96 8.171 4.242 22.476 1.00 30.32 H new ATOM 0 HG2 GLN A 96 7.686 3.428 24.637 1.00 54.10 H new ATOM 0 HG3 GLN A 96 9.142 4.114 25.330 1.00 54.10 H new ATOM 0 HE21 GLN A 96 5.820 4.663 24.425 1.00 4.22 H new ATOM 0 HE22 GLN A 96 5.679 6.295 25.087 1.00 4.22 H new ATOM 1474 N GLY A 97 10.641 3.182 20.615 1.00 71.45 N ATOM 1475 CA GLY A 97 10.529 2.573 19.302 1.00 63.21 C ATOM 1476 C GLY A 97 10.012 3.540 18.256 1.00 12.42 C ATOM 1477 O GLY A 97 9.223 3.165 17.390 1.00 72.23 O ATOM 0 H GLY A 97 11.309 3.950 20.676 1.00 71.45 H new ATOM 0 HA2 GLY A 97 11.505 2.198 18.995 1.00 63.21 H new ATOM 0 HA3 GLY A 97 9.861 1.714 19.359 1.00 63.21 H new ATOM 1481 N ALA A 98 10.456 4.791 18.338 1.00 74.52 N ATOM 1482 CA ALA A 98 10.032 5.815 17.391 1.00 64.31 C ATOM 1483 C ALA A 98 10.643 5.575 16.014 1.00 12.31 C ATOM 1484 O ALA A 98 11.618 4.836 15.876 1.00 13.02 O ATOM 1485 CB ALA A 98 10.409 7.196 17.904 1.00 4.45 C ATOM 0 H ALA A 98 11.109 5.119 19.050 1.00 74.52 H new ATOM 0 HA ALA A 98 8.948 5.759 17.294 1.00 64.31 H new ATOM 0 HB1 ALA A 98 10.086 7.951 17.187 1.00 4.45 H new ATOM 0 HB2 ALA A 98 9.921 7.374 18.862 1.00 4.45 H new ATOM 0 HB3 ALA A 98 11.490 7.254 18.031 1.00 4.45 H new ATOM 1491 N PHE A 99 10.063 6.205 14.997 1.00 31.54 N ATOM 1492 CA PHE A 99 10.549 6.058 13.630 1.00 2.34 C ATOM 1493 C PHE A 99 11.586 7.130 13.304 1.00 35.22 C ATOM 1494 O PHE A 99 12.737 6.822 12.997 1.00 22.41 O ATOM 1495 CB PHE A 99 9.385 6.141 12.641 1.00 60.21 C ATOM 1496 CG PHE A 99 9.736 5.664 11.261 1.00 64.43 C ATOM 1497 CD1 PHE A 99 10.253 6.541 10.321 1.00 63.32 C ATOM 1498 CD2 PHE A 99 9.550 4.338 10.903 1.00 24.15 C ATOM 1499 CE1 PHE A 99 10.577 6.104 9.050 1.00 54.20 C ATOM 1500 CE2 PHE A 99 9.872 3.896 9.634 1.00 24.51 C ATOM 1501 CZ PHE A 99 10.387 4.780 8.707 1.00 62.24 C ATOM 0 H PHE A 99 9.256 6.822 15.094 1.00 31.54 H new ATOM 0 HA PHE A 99 11.022 5.080 13.542 1.00 2.34 H new ATOM 0 HB2 PHE A 99 8.553 5.548 13.021 1.00 60.21 H new ATOM 0 HB3 PHE A 99 9.041 7.174 12.583 1.00 60.21 H new ATOM 0 HD1 PHE A 99 10.405 7.577 10.584 1.00 63.32 H new ATOM 0 HD2 PHE A 99 9.149 3.642 11.625 1.00 24.15 H new ATOM 0 HE1 PHE A 99 10.978 6.798 8.326 1.00 54.20 H new ATOM 0 HE2 PHE A 99 9.721 2.860 9.368 1.00 24.51 H new ATOM 0 HZ PHE A 99 10.641 4.437 7.715 1.00 62.24 H new ATOM 1511 N ASP A 100 11.167 8.389 13.373 1.00 64.22 N ATOM 1512 CA ASP A 100 12.058 9.507 13.086 1.00 44.05 C ATOM 1513 C ASP A 100 11.439 10.826 13.538 1.00 31.53 C ATOM 1514 O ASP A 100 10.296 10.862 13.995 1.00 70.32 O ATOM 1515 CB ASP A 100 12.374 9.564 11.590 1.00 12.40 C ATOM 1516 CG ASP A 100 13.815 9.949 11.317 1.00 74.34 C ATOM 1517 OD1 ASP A 100 14.687 9.058 11.376 1.00 63.22 O ATOM 1518 OD2 ASP A 100 14.070 11.141 11.044 1.00 34.23 O ATOM 0 H ASP A 100 10.217 8.661 13.625 1.00 64.22 H new ATOM 0 HA ASP A 100 12.984 9.353 13.640 1.00 44.05 H new ATOM 0 HB2 ASP A 100 12.169 8.592 11.141 1.00 12.40 H new ATOM 0 HB3 ASP A 100 11.711 10.283 11.109 1.00 12.40 H new ATOM 1523 N TYR A 101 12.201 11.906 13.410 1.00 72.01 N ATOM 1524 CA TYR A 101 11.728 13.226 13.809 1.00 3.31 C ATOM 1525 C TYR A 101 11.469 14.104 12.589 1.00 44.35 C ATOM 1526 O TYR A 101 12.360 14.325 11.767 1.00 24.40 O ATOM 1527 CB TYR A 101 12.748 13.900 14.729 1.00 65.35 C ATOM 1528 CG TYR A 101 12.223 15.145 15.407 1.00 61.31 C ATOM 1529 CD1 TYR A 101 11.031 15.121 16.120 1.00 21.11 C ATOM 1530 CD2 TYR A 101 12.920 16.345 15.335 1.00 32.13 C ATOM 1531 CE1 TYR A 101 10.547 16.256 16.741 1.00 42.34 C ATOM 1532 CE2 TYR A 101 12.444 17.485 15.954 1.00 62.10 C ATOM 1533 CZ TYR A 101 11.257 17.436 16.655 1.00 63.41 C ATOM 1534 OH TYR A 101 10.779 18.568 17.273 1.00 43.41 O ATOM 0 H TYR A 101 13.149 11.894 13.033 1.00 72.01 H new ATOM 0 HA TYR A 101 10.789 13.099 14.349 1.00 3.31 H new ATOM 0 HB2 TYR A 101 13.064 13.187 15.491 1.00 65.35 H new ATOM 0 HB3 TYR A 101 13.633 14.159 14.148 1.00 65.35 H new ATOM 0 HD1 TYR A 101 10.473 14.199 16.190 1.00 21.11 H new ATOM 0 HD2 TYR A 101 13.849 16.387 14.786 1.00 32.13 H new ATOM 0 HE1 TYR A 101 9.618 16.220 17.291 1.00 42.34 H new ATOM 0 HE2 TYR A 101 12.998 18.410 15.889 1.00 62.10 H new ATOM 0 HH TYR A 101 10.662 19.279 16.609 1.00 43.41 H new ATOM 1544 N LEU A 102 10.244 14.604 12.477 1.00 74.22 N ATOM 1545 CA LEU A 102 9.865 15.459 11.357 1.00 2.33 C ATOM 1546 C LEU A 102 9.587 16.883 11.830 1.00 71.34 C ATOM 1547 O LEU A 102 8.439 17.311 11.946 1.00 55.24 O ATOM 1548 CB LEU A 102 8.631 14.893 10.652 1.00 44.52 C ATOM 1549 CG LEU A 102 8.337 15.456 9.261 1.00 55.20 C ATOM 1550 CD1 LEU A 102 9.404 15.018 8.271 1.00 42.15 C ATOM 1551 CD2 LEU A 102 6.957 15.018 8.790 1.00 45.12 C ATOM 0 H LEU A 102 9.495 14.432 13.148 1.00 74.22 H new ATOM 0 HA LEU A 102 10.697 15.485 10.653 1.00 2.33 H new ATOM 0 HB2 LEU A 102 8.749 13.813 10.568 1.00 44.52 H new ATOM 0 HB3 LEU A 102 7.762 15.070 11.285 1.00 44.52 H new ATOM 0 HG LEU A 102 8.351 16.544 9.320 1.00 55.20 H new ATOM 0 HD11 LEU A 102 9.178 15.428 7.287 1.00 42.15 H new ATOM 0 HD12 LEU A 102 10.377 15.381 8.601 1.00 42.15 H new ATOM 0 HD13 LEU A 102 9.423 13.930 8.215 1.00 42.15 H new ATOM 0 HD21 LEU A 102 6.764 15.428 7.798 1.00 45.12 H new ATOM 0 HD22 LEU A 102 6.916 13.930 8.747 1.00 45.12 H new ATOM 0 HD23 LEU A 102 6.202 15.383 9.486 1.00 45.12 H new ATOM 1563 N PRO A 103 10.662 17.635 12.107 1.00 40.21 N ATOM 1564 CA PRO A 103 10.559 19.023 12.568 1.00 23.11 C ATOM 1565 C PRO A 103 10.062 19.962 11.474 1.00 4.04 C ATOM 1566 O PRO A 103 10.418 19.813 10.305 1.00 55.20 O ATOM 1567 CB PRO A 103 11.997 19.373 12.961 1.00 14.25 C ATOM 1568 CG PRO A 103 12.846 18.463 12.143 1.00 32.12 C ATOM 1569 CD PRO A 103 12.061 17.190 11.991 1.00 33.51 C ATOM 0 HA PRO A 103 9.842 19.130 13.382 1.00 23.11 H new ATOM 0 HB2 PRO A 103 12.221 20.419 12.751 1.00 14.25 H new ATOM 0 HB3 PRO A 103 12.165 19.219 14.027 1.00 14.25 H new ATOM 0 HG2 PRO A 103 13.067 18.904 11.171 1.00 32.12 H new ATOM 0 HG3 PRO A 103 13.802 18.276 12.632 1.00 32.12 H new ATOM 0 HD2 PRO A 103 12.252 16.712 11.030 1.00 33.51 H new ATOM 0 HD3 PRO A 103 12.317 16.465 12.764 1.00 33.51 H new ATOM 1577 N LYS A 104 9.239 20.930 11.862 1.00 51.35 N ATOM 1578 CA LYS A 104 8.694 21.896 10.915 1.00 72.13 C ATOM 1579 C LYS A 104 9.401 23.242 11.042 1.00 33.52 C ATOM 1580 O LYS A 104 9.966 23.577 12.083 1.00 33.24 O ATOM 1581 CB LYS A 104 7.191 22.073 11.144 1.00 42.41 C ATOM 1582 CG LYS A 104 6.813 22.231 12.607 1.00 45.35 C ATOM 1583 CD LYS A 104 5.861 23.397 12.814 1.00 42.12 C ATOM 1584 CE LYS A 104 4.601 22.964 13.547 1.00 72.34 C ATOM 1585 NZ LYS A 104 4.711 23.180 15.016 1.00 64.21 N ATOM 0 H LYS A 104 8.935 21.067 12.826 1.00 51.35 H new ATOM 0 HA LYS A 104 8.859 21.513 9.908 1.00 72.13 H new ATOM 0 HB2 LYS A 104 6.849 22.949 10.592 1.00 42.41 H new ATOM 0 HB3 LYS A 104 6.665 21.211 10.733 1.00 42.41 H new ATOM 0 HG2 LYS A 104 6.348 21.312 12.965 1.00 45.35 H new ATOM 0 HG3 LYS A 104 7.713 22.385 13.202 1.00 45.35 H new ATOM 0 HD2 LYS A 104 6.362 24.181 13.382 1.00 42.12 H new ATOM 0 HD3 LYS A 104 5.593 23.825 11.848 1.00 42.12 H new ATOM 0 HE2 LYS A 104 3.747 23.521 13.161 1.00 72.34 H new ATOM 0 HE3 LYS A 104 4.410 21.909 13.348 1.00 72.34 H new ATOM 0 HZ1 LYS A 104 3.832 22.872 15.479 1.00 64.21 H new ATOM 0 HZ2 LYS A 104 5.510 22.629 15.389 1.00 64.21 H new ATOM 0 HZ3 LYS A 104 4.868 24.190 15.208 1.00 64.21 H new ATOM 1599 N PRO A 105 9.369 24.033 9.960 1.00 73.34 N ATOM 1600 CA PRO A 105 8.700 23.644 8.714 1.00 33.15 C ATOM 1601 C PRO A 105 9.430 22.518 7.991 1.00 64.00 C ATOM 1602 O PRO A 105 10.657 22.527 7.887 1.00 62.22 O ATOM 1603 CB PRO A 105 8.732 24.926 7.879 1.00 2.10 C ATOM 1604 CG PRO A 105 9.901 25.689 8.401 1.00 71.43 C ATOM 1605 CD PRO A 105 9.984 25.368 9.867 1.00 34.54 C ATOM 0 HA PRO A 105 7.695 23.261 8.893 1.00 33.15 H new ATOM 0 HB2 PRO A 105 8.846 24.705 6.818 1.00 2.10 H new ATOM 0 HB3 PRO A 105 7.808 25.493 7.989 1.00 2.10 H new ATOM 0 HG2 PRO A 105 10.817 25.400 7.886 1.00 71.43 H new ATOM 0 HG3 PRO A 105 9.770 26.760 8.243 1.00 71.43 H new ATOM 0 HD2 PRO A 105 11.016 25.360 10.219 1.00 34.54 H new ATOM 0 HD3 PRO A 105 9.447 26.101 10.470 1.00 34.54 H new ATOM 1613 N PHE A 106 8.669 21.550 7.492 1.00 63.41 N ATOM 1614 CA PHE A 106 9.245 20.416 6.778 1.00 21.21 C ATOM 1615 C PHE A 106 8.745 20.369 5.337 1.00 12.43 C ATOM 1616 O PHE A 106 7.696 20.927 5.015 1.00 54.02 O ATOM 1617 CB PHE A 106 8.899 19.108 7.492 1.00 24.53 C ATOM 1618 CG PHE A 106 7.473 18.678 7.299 1.00 21.12 C ATOM 1619 CD1 PHE A 106 7.110 17.904 6.209 1.00 25.50 C ATOM 1620 CD2 PHE A 106 6.495 19.049 8.208 1.00 70.03 C ATOM 1621 CE1 PHE A 106 5.799 17.506 6.029 1.00 50.15 C ATOM 1622 CE2 PHE A 106 5.182 18.654 8.033 1.00 41.33 C ATOM 1623 CZ PHE A 106 4.833 17.883 6.941 1.00 4.02 C ATOM 0 H PHE A 106 7.652 21.528 7.569 1.00 63.41 H new ATOM 0 HA PHE A 106 10.328 20.540 6.764 1.00 21.21 H new ATOM 0 HB2 PHE A 106 9.560 18.320 7.130 1.00 24.53 H new ATOM 0 HB3 PHE A 106 9.094 19.223 8.558 1.00 24.53 H new ATOM 0 HD1 PHE A 106 7.861 17.608 5.491 1.00 25.50 H new ATOM 0 HD2 PHE A 106 6.762 19.653 9.062 1.00 70.03 H new ATOM 0 HE1 PHE A 106 5.530 16.901 5.176 1.00 50.15 H new ATOM 0 HE2 PHE A 106 4.429 18.948 8.750 1.00 41.33 H new ATOM 0 HZ PHE A 106 3.807 17.576 6.801 1.00 4.02 H new ATOM 1633 N ASP A 107 9.503 19.701 4.475 1.00 5.44 N ATOM 1634 CA ASP A 107 9.138 19.581 3.069 1.00 62.03 C ATOM 1635 C ASP A 107 8.248 18.363 2.841 1.00 65.04 C ATOM 1636 O ASP A 107 8.699 17.223 2.957 1.00 70.24 O ATOM 1637 CB ASP A 107 10.393 19.481 2.201 1.00 64.14 C ATOM 1638 CG ASP A 107 10.938 20.841 1.812 1.00 45.21 C ATOM 1639 OD1 ASP A 107 11.689 21.432 2.617 1.00 52.23 O ATOM 1640 OD2 ASP A 107 10.615 21.314 0.703 1.00 44.35 O ATOM 0 H ASP A 107 10.375 19.234 4.726 1.00 5.44 H new ATOM 0 HA ASP A 107 8.581 20.474 2.786 1.00 62.03 H new ATOM 0 HB2 ASP A 107 11.161 18.926 2.740 1.00 64.14 H new ATOM 0 HB3 ASP A 107 10.163 18.913 1.299 1.00 64.14 H new ATOM 1645 N ILE A 108 6.984 18.612 2.517 1.00 2.52 N ATOM 1646 CA ILE A 108 6.032 17.536 2.273 1.00 11.21 C ATOM 1647 C ILE A 108 6.583 16.533 1.265 1.00 33.15 C ATOM 1648 O ILE A 108 6.205 15.361 1.271 1.00 52.23 O ATOM 1649 CB ILE A 108 4.687 18.081 1.756 1.00 63.31 C ATOM 1650 CG1 ILE A 108 4.838 18.595 0.323 1.00 52.12 C ATOM 1651 CG2 ILE A 108 4.176 19.184 2.670 1.00 42.53 C ATOM 1652 CD1 ILE A 108 5.686 19.843 0.215 1.00 63.34 C ATOM 0 H ILE A 108 6.595 19.550 2.417 1.00 2.52 H new ATOM 0 HA ILE A 108 5.869 17.036 3.228 1.00 11.21 H new ATOM 0 HB ILE A 108 3.958 17.270 1.756 1.00 63.31 H new ATOM 0 HG12 ILE A 108 5.280 17.811 -0.291 1.00 52.12 H new ATOM 0 HG13 ILE A 108 3.849 18.801 -0.087 1.00 52.12 H new ATOM 0 HG21 ILE A 108 3.225 19.559 2.291 1.00 42.53 H new ATOM 0 HG22 ILE A 108 4.035 18.787 3.675 1.00 42.53 H new ATOM 0 HG23 ILE A 108 4.901 19.997 2.699 1.00 42.53 H new ATOM 0 HD11 ILE A 108 5.750 20.150 -0.829 1.00 63.34 H new ATOM 0 HD12 ILE A 108 5.233 20.642 0.802 1.00 63.34 H new ATOM 0 HD13 ILE A 108 6.687 19.637 0.594 1.00 63.34 H new ATOM 1664 N ASP A 109 7.479 17.000 0.403 1.00 12.13 N ATOM 1665 CA ASP A 109 8.085 16.143 -0.609 1.00 52.22 C ATOM 1666 C ASP A 109 8.760 14.936 0.034 1.00 44.20 C ATOM 1667 O ASP A 109 8.728 13.833 -0.510 1.00 24.22 O ATOM 1668 CB ASP A 109 9.102 16.933 -1.434 1.00 41.21 C ATOM 1669 CG ASP A 109 9.430 16.257 -2.751 1.00 13.21 C ATOM 1670 OD1 ASP A 109 8.485 15.904 -3.488 1.00 43.33 O ATOM 1671 OD2 ASP A 109 10.631 16.082 -3.045 1.00 35.13 O ATOM 0 H ASP A 109 7.802 17.967 0.385 1.00 12.13 H new ATOM 0 HA ASP A 109 7.294 15.785 -1.268 1.00 52.22 H new ATOM 0 HB2 ASP A 109 8.710 17.931 -1.629 1.00 41.21 H new ATOM 0 HB3 ASP A 109 10.017 17.057 -0.855 1.00 41.21 H new ATOM 1676 N GLU A 110 9.372 15.155 1.194 1.00 70.11 N ATOM 1677 CA GLU A 110 10.057 14.085 1.909 1.00 32.34 C ATOM 1678 C GLU A 110 9.087 13.324 2.809 1.00 11.54 C ATOM 1679 O GLU A 110 9.333 12.175 3.174 1.00 52.04 O ATOM 1680 CB GLU A 110 11.206 14.653 2.745 1.00 52.43 C ATOM 1681 CG GLU A 110 12.286 13.635 3.067 1.00 62.31 C ATOM 1682 CD GLU A 110 13.684 14.210 2.950 1.00 42.24 C ATOM 1683 OE1 GLU A 110 14.178 14.776 3.948 1.00 53.45 O ATOM 1684 OE2 GLU A 110 14.285 14.095 1.861 1.00 75.22 O ATOM 0 H GLU A 110 9.407 16.063 1.658 1.00 70.11 H new ATOM 0 HA GLU A 110 10.462 13.392 1.172 1.00 32.34 H new ATOM 0 HB2 GLU A 110 11.655 15.489 2.209 1.00 52.43 H new ATOM 0 HB3 GLU A 110 10.804 15.051 3.677 1.00 52.43 H new ATOM 0 HG2 GLU A 110 12.135 13.259 4.079 1.00 62.31 H new ATOM 0 HG3 GLU A 110 12.190 12.784 2.393 1.00 62.31 H new ATOM 1691 N ALA A 111 7.984 13.976 3.165 1.00 63.24 N ATOM 1692 CA ALA A 111 6.977 13.362 4.020 1.00 34.13 C ATOM 1693 C ALA A 111 6.113 12.381 3.235 1.00 60.12 C ATOM 1694 O ALA A 111 5.770 11.307 3.729 1.00 60.43 O ATOM 1695 CB ALA A 111 6.109 14.432 4.666 1.00 51.45 C ATOM 0 H ALA A 111 7.766 14.929 2.874 1.00 63.24 H new ATOM 0 HA ALA A 111 7.492 12.806 4.803 1.00 34.13 H new ATOM 0 HB1 ALA A 111 5.361 13.959 5.302 1.00 51.45 H new ATOM 0 HB2 ALA A 111 6.733 15.092 5.269 1.00 51.45 H new ATOM 0 HB3 ALA A 111 5.610 15.013 3.890 1.00 51.45 H new ATOM 1701 N VAL A 112 5.764 12.757 2.009 1.00 53.33 N ATOM 1702 CA VAL A 112 4.940 11.910 1.154 1.00 1.23 C ATOM 1703 C VAL A 112 5.505 10.497 1.074 1.00 60.53 C ATOM 1704 O VAL A 112 4.759 9.518 1.070 1.00 15.20 O ATOM 1705 CB VAL A 112 4.828 12.488 -0.269 1.00 0.52 C ATOM 1706 CG1 VAL A 112 4.036 11.550 -1.166 1.00 62.51 C ATOM 1707 CG2 VAL A 112 4.191 13.869 -0.234 1.00 12.33 C ATOM 0 H VAL A 112 6.039 13.643 1.585 1.00 53.33 H new ATOM 0 HA VAL A 112 3.947 11.877 1.603 1.00 1.23 H new ATOM 0 HB VAL A 112 5.832 12.586 -0.682 1.00 0.52 H new ATOM 0 HG11 VAL A 112 3.968 11.975 -2.167 1.00 62.51 H new ATOM 0 HG12 VAL A 112 4.538 10.584 -1.216 1.00 62.51 H new ATOM 0 HG13 VAL A 112 3.034 11.417 -0.759 1.00 62.51 H new ATOM 0 HG21 VAL A 112 4.120 14.263 -1.248 1.00 12.33 H new ATOM 0 HG22 VAL A 112 3.193 13.799 0.199 1.00 12.33 H new ATOM 0 HG23 VAL A 112 4.803 14.537 0.372 1.00 12.33 H new ATOM 1717 N ALA A 113 6.829 10.397 1.010 1.00 73.14 N ATOM 1718 CA ALA A 113 7.495 9.103 0.932 1.00 75.44 C ATOM 1719 C ALA A 113 7.681 8.497 2.319 1.00 65.05 C ATOM 1720 O ALA A 113 7.754 7.277 2.470 1.00 70.33 O ATOM 1721 CB ALA A 113 8.837 9.241 0.229 1.00 52.13 C ATOM 0 H ALA A 113 7.461 11.197 1.011 1.00 73.14 H new ATOM 0 HA ALA A 113 6.862 8.431 0.353 1.00 75.44 H new ATOM 0 HB1 ALA A 113 9.323 8.267 0.178 1.00 52.13 H new ATOM 0 HB2 ALA A 113 8.682 9.622 -0.780 1.00 52.13 H new ATOM 0 HB3 ALA A 113 9.469 9.933 0.785 1.00 52.13 H new ATOM 1727 N LEU A 114 7.760 9.356 3.328 1.00 14.35 N ATOM 1728 CA LEU A 114 7.939 8.906 4.704 1.00 20.23 C ATOM 1729 C LEU A 114 6.638 8.341 5.266 1.00 25.52 C ATOM 1730 O LEU A 114 6.650 7.532 6.194 1.00 24.32 O ATOM 1731 CB LEU A 114 8.427 10.061 5.581 1.00 70.25 C ATOM 1732 CG LEU A 114 8.348 9.837 7.091 1.00 1.11 C ATOM 1733 CD1 LEU A 114 9.456 8.902 7.551 1.00 42.41 C ATOM 1734 CD2 LEU A 114 8.426 11.164 7.832 1.00 51.35 C ATOM 0 H LEU A 114 7.703 10.369 3.220 1.00 14.35 H new ATOM 0 HA LEU A 114 8.689 8.115 4.706 1.00 20.23 H new ATOM 0 HB2 LEU A 114 9.463 10.277 5.320 1.00 70.25 H new ATOM 0 HB3 LEU A 114 7.845 10.949 5.335 1.00 70.25 H new ATOM 0 HG LEU A 114 7.389 9.371 7.320 1.00 1.11 H new ATOM 0 HD11 LEU A 114 9.384 8.754 8.629 1.00 42.41 H new ATOM 0 HD12 LEU A 114 9.355 7.942 7.046 1.00 42.41 H new ATOM 0 HD13 LEU A 114 10.425 9.339 7.309 1.00 42.41 H new ATOM 0 HD21 LEU A 114 8.368 10.985 8.906 1.00 51.35 H new ATOM 0 HD22 LEU A 114 9.369 11.657 7.597 1.00 51.35 H new ATOM 0 HD23 LEU A 114 7.597 11.801 7.525 1.00 51.35 H new ATOM 1746 N VAL A 115 5.517 8.770 4.696 1.00 42.30 N ATOM 1747 CA VAL A 115 4.208 8.305 5.137 1.00 31.24 C ATOM 1748 C VAL A 115 4.059 6.802 4.926 1.00 51.40 C ATOM 1749 O VAL A 115 3.575 6.088 5.803 1.00 24.32 O ATOM 1750 CB VAL A 115 3.073 9.032 4.392 1.00 1.00 C ATOM 1751 CG1 VAL A 115 1.720 8.470 4.800 1.00 71.32 C ATOM 1752 CG2 VAL A 115 3.138 10.529 4.654 1.00 42.25 C ATOM 0 H VAL A 115 5.489 9.440 3.927 1.00 42.30 H new ATOM 0 HA VAL A 115 4.135 8.529 6.201 1.00 31.24 H new ATOM 0 HB VAL A 115 3.200 8.867 3.322 1.00 1.00 H new ATOM 0 HG11 VAL A 115 0.931 8.996 4.263 1.00 71.32 H new ATOM 0 HG12 VAL A 115 1.679 7.408 4.557 1.00 71.32 H new ATOM 0 HG13 VAL A 115 1.580 8.602 5.873 1.00 71.32 H new ATOM 0 HG21 VAL A 115 2.329 11.027 4.120 1.00 42.25 H new ATOM 0 HG22 VAL A 115 3.037 10.716 5.723 1.00 42.25 H new ATOM 0 HG23 VAL A 115 4.095 10.918 4.307 1.00 42.25 H new ATOM 1762 N GLU A 116 4.478 6.330 3.756 1.00 3.31 N ATOM 1763 CA GLU A 116 4.391 4.912 3.430 1.00 72.22 C ATOM 1764 C GLU A 116 5.581 4.148 4.002 1.00 63.43 C ATOM 1765 O GLU A 116 5.530 2.928 4.165 1.00 55.45 O ATOM 1766 CB GLU A 116 4.327 4.718 1.913 1.00 32.44 C ATOM 1767 CG GLU A 116 3.374 5.675 1.217 1.00 61.42 C ATOM 1768 CD GLU A 116 2.529 4.990 0.160 1.00 15.24 C ATOM 1769 OE1 GLU A 116 1.994 3.898 0.444 1.00 72.04 O ATOM 1770 OE2 GLU A 116 2.402 5.548 -0.950 1.00 33.21 O ATOM 0 H GLU A 116 4.881 6.909 3.019 1.00 3.31 H new ATOM 0 HA GLU A 116 3.479 4.517 3.878 1.00 72.22 H new ATOM 0 HB2 GLU A 116 5.326 4.846 1.496 1.00 32.44 H new ATOM 0 HB3 GLU A 116 4.021 3.694 1.699 1.00 32.44 H new ATOM 0 HG2 GLU A 116 2.720 6.134 1.958 1.00 61.42 H new ATOM 0 HG3 GLU A 116 3.946 6.479 0.755 1.00 61.42 H new ATOM 1777 N ARG A 117 6.653 4.873 4.304 1.00 51.31 N ATOM 1778 CA ARG A 117 7.857 4.264 4.856 1.00 42.43 C ATOM 1779 C ARG A 117 7.512 3.319 6.003 1.00 51.13 C ATOM 1780 O ARG A 117 8.096 2.243 6.131 1.00 54.34 O ATOM 1781 CB ARG A 117 8.823 5.345 5.345 1.00 52.53 C ATOM 1782 CG ARG A 117 10.091 5.451 4.513 1.00 31.35 C ATOM 1783 CD ARG A 117 11.334 5.428 5.389 1.00 42.52 C ATOM 1784 NE ARG A 117 12.495 5.992 4.705 1.00 1.01 N ATOM 1785 CZ ARG A 117 13.623 6.324 5.324 1.00 52.23 C ATOM 1786 NH1 ARG A 117 13.741 6.150 6.633 1.00 71.33 N ATOM 1787 NH2 ARG A 117 14.635 6.832 4.633 1.00 65.44 N ATOM 0 H ARG A 117 6.712 5.883 4.176 1.00 51.31 H new ATOM 0 HA ARG A 117 8.337 3.688 4.065 1.00 42.43 H new ATOM 0 HB2 ARG A 117 8.312 6.308 5.337 1.00 52.53 H new ATOM 0 HB3 ARG A 117 9.094 5.137 6.380 1.00 52.53 H new ATOM 0 HG2 ARG A 117 10.131 4.627 3.801 1.00 31.35 H new ATOM 0 HG3 ARG A 117 10.071 6.373 3.932 1.00 31.35 H new ATOM 0 HD2 ARG A 117 11.144 5.990 6.304 1.00 42.52 H new ATOM 0 HD3 ARG A 117 11.550 4.401 5.685 1.00 42.52 H new ATOM 0 HE ARG A 117 12.437 6.139 3.697 1.00 1.01 H new ATOM 0 HH11 ARG A 117 12.965 5.760 7.168 1.00 71.33 H new ATOM 0 HH12 ARG A 117 14.608 6.406 7.105 1.00 71.33 H new ATOM 0 HH21 ARG A 117 14.548 6.968 3.626 1.00 65.44 H new ATOM 0 HH22 ARG A 117 15.501 7.087 5.109 1.00 65.44 H new ATOM 1801 N ALA A 118 6.560 3.729 6.834 1.00 11.24 N ATOM 1802 CA ALA A 118 6.136 2.919 7.969 1.00 20.24 C ATOM 1803 C ALA A 118 5.085 1.896 7.552 1.00 51.05 C ATOM 1804 O ALA A 118 5.095 0.756 8.018 1.00 52.34 O ATOM 1805 CB ALA A 118 5.598 3.808 9.081 1.00 71.42 C ATOM 0 H ALA A 118 6.068 4.618 6.743 1.00 11.24 H new ATOM 0 HA ALA A 118 7.005 2.377 8.341 1.00 20.24 H new ATOM 0 HB1 ALA A 118 5.285 3.189 9.922 1.00 71.42 H new ATOM 0 HB2 ALA A 118 6.378 4.496 9.407 1.00 71.42 H new ATOM 0 HB3 ALA A 118 4.745 4.377 8.712 1.00 71.42 H new ATOM 1811 N ILE A 119 4.180 2.311 6.672 1.00 74.32 N ATOM 1812 CA ILE A 119 3.122 1.430 6.192 1.00 63.34 C ATOM 1813 C ILE A 119 3.702 0.165 5.566 1.00 12.43 C ATOM 1814 O ILE A 119 3.303 -0.948 5.908 1.00 12.34 O ATOM 1815 CB ILE A 119 2.227 2.137 5.157 1.00 60.31 C ATOM 1816 CG1 ILE A 119 1.680 3.445 5.732 1.00 22.34 C ATOM 1817 CG2 ILE A 119 1.088 1.223 4.729 1.00 23.24 C ATOM 1818 CD1 ILE A 119 0.832 4.227 4.755 1.00 74.14 C ATOM 0 H ILE A 119 4.158 3.251 6.277 1.00 74.32 H new ATOM 0 HA ILE A 119 2.518 1.160 7.059 1.00 63.34 H new ATOM 0 HB ILE A 119 2.828 2.372 4.279 1.00 60.31 H new ATOM 0 HG12 ILE A 119 1.086 3.222 6.619 1.00 22.34 H new ATOM 0 HG13 ILE A 119 2.514 4.067 6.055 1.00 22.34 H new ATOM 0 HG21 ILE A 119 0.464 1.737 3.997 1.00 23.24 H new ATOM 0 HG22 ILE A 119 1.497 0.316 4.284 1.00 23.24 H new ATOM 0 HG23 ILE A 119 0.486 0.961 5.599 1.00 23.24 H new ATOM 0 HD11 ILE A 119 0.479 5.142 5.231 1.00 74.14 H new ATOM 0 HD12 ILE A 119 1.428 4.481 3.878 1.00 74.14 H new ATOM 0 HD13 ILE A 119 -0.023 3.623 4.450 1.00 74.14 H new ATOM 1830 N SER A 120 4.647 0.345 4.649 1.00 11.01 N ATOM 1831 CA SER A 120 5.281 -0.781 3.974 1.00 31.30 C ATOM 1832 C SER A 120 5.920 -1.730 4.984 1.00 72.14 C ATOM 1833 O SER A 120 5.979 -2.941 4.765 1.00 55.44 O ATOM 1834 CB SER A 120 6.338 -0.282 2.987 1.00 74.34 C ATOM 1835 OG SER A 120 6.361 -1.082 1.817 1.00 31.11 O ATOM 0 H SER A 120 4.990 1.260 4.357 1.00 11.01 H new ATOM 0 HA SER A 120 4.511 -1.325 3.427 1.00 31.30 H new ATOM 0 HB2 SER A 120 6.130 0.754 2.719 1.00 74.34 H new ATOM 0 HB3 SER A 120 7.319 -0.297 3.461 1.00 74.34 H new ATOM 0 HG SER A 120 7.043 -0.742 1.201 1.00 31.11 H new ATOM 1841 N HIS A 121 6.398 -1.171 6.091 1.00 33.41 N ATOM 1842 CA HIS A 121 7.032 -1.967 7.136 1.00 3.21 C ATOM 1843 C HIS A 121 6.105 -3.083 7.607 1.00 25.44 C ATOM 1844 O HIS A 121 6.562 -4.122 8.087 1.00 51.43 O ATOM 1845 CB HIS A 121 7.421 -1.078 8.318 1.00 51.11 C ATOM 1846 CG HIS A 121 8.383 -1.727 9.264 1.00 4.34 C ATOM 1847 ND1 HIS A 121 9.715 -1.376 9.342 1.00 73.11 N ATOM 1848 CD2 HIS A 121 8.201 -2.709 10.178 1.00 54.40 C ATOM 1849 CE1 HIS A 121 10.310 -2.115 10.261 1.00 73.52 C ATOM 1850 NE2 HIS A 121 9.413 -2.932 10.784 1.00 53.04 N ATOM 0 H HIS A 121 6.359 -0.171 6.288 1.00 33.41 H new ATOM 0 HA HIS A 121 7.932 -2.419 6.719 1.00 3.21 H new ATOM 0 HB2 HIS A 121 7.863 -0.156 7.939 1.00 51.11 H new ATOM 0 HB3 HIS A 121 6.520 -0.799 8.864 1.00 51.11 H new ATOM 0 HD2 HIS A 121 7.275 -3.222 10.391 1.00 54.40 H new ATOM 0 HE1 HIS A 121 11.353 -2.061 10.538 1.00 73.52 H new ATOM 0 HE2 HIS A 121 9.592 -3.617 11.518 1.00 53.04 H new ATOM 1858 N TYR A 122 4.803 -2.862 7.469 1.00 61.43 N ATOM 1859 CA TYR A 122 3.812 -3.848 7.883 1.00 22.42 C ATOM 1860 C TYR A 122 3.034 -4.377 6.682 1.00 24.40 C ATOM 1861 O TYR A 122 1.819 -4.557 6.747 1.00 32.42 O ATOM 1862 CB TYR A 122 2.847 -3.236 8.900 1.00 24.43 C ATOM 1863 CG TYR A 122 3.537 -2.442 9.987 1.00 55.04 C ATOM 1864 CD1 TYR A 122 3.956 -3.054 11.161 1.00 4.25 C ATOM 1865 CD2 TYR A 122 3.767 -1.080 9.839 1.00 52.10 C ATOM 1866 CE1 TYR A 122 4.586 -2.332 12.157 1.00 31.02 C ATOM 1867 CE2 TYR A 122 4.397 -0.351 10.829 1.00 52.43 C ATOM 1868 CZ TYR A 122 4.804 -0.981 11.986 1.00 42.11 C ATOM 1869 OH TYR A 122 5.431 -0.258 12.975 1.00 53.43 O ATOM 0 H TYR A 122 4.409 -2.008 7.073 1.00 61.43 H new ATOM 0 HA TYR A 122 4.339 -4.682 8.347 1.00 22.42 H new ATOM 0 HB2 TYR A 122 2.145 -2.587 8.377 1.00 24.43 H new ATOM 0 HB3 TYR A 122 2.262 -4.033 9.359 1.00 24.43 H new ATOM 0 HD1 TYR A 122 3.787 -4.112 11.298 1.00 4.25 H new ATOM 0 HD2 TYR A 122 3.448 -0.583 8.935 1.00 52.10 H new ATOM 0 HE1 TYR A 122 4.906 -2.823 13.064 1.00 31.02 H new ATOM 0 HE2 TYR A 122 4.570 0.707 10.697 1.00 52.43 H new ATOM 0 HH TYR A 122 5.508 0.679 12.697 1.00 53.43 H new ATOM 1879 N GLN A 123 3.746 -4.624 5.587 1.00 71.50 N ATOM 1880 CA GLN A 123 3.123 -5.133 4.370 1.00 1.25 C ATOM 1881 C GLN A 123 2.396 -6.446 4.639 1.00 21.31 C ATOM 1882 O GLN A 123 2.932 -7.340 5.293 1.00 11.04 O ATOM 1883 CB GLN A 123 4.176 -5.333 3.279 1.00 54.23 C ATOM 1884 CG GLN A 123 3.677 -4.992 1.883 1.00 22.45 C ATOM 1885 CD GLN A 123 4.321 -5.847 0.809 1.00 35.03 C ATOM 1886 OE1 GLN A 123 4.553 -7.040 1.006 1.00 61.25 O ATOM 1887 NE2 GLN A 123 4.612 -5.240 -0.335 1.00 51.12 N ATOM 0 H GLN A 123 4.753 -4.480 5.517 1.00 71.50 H new ATOM 0 HA GLN A 123 2.393 -4.398 4.030 1.00 1.25 H new ATOM 0 HB2 GLN A 123 5.045 -4.715 3.506 1.00 54.23 H new ATOM 0 HB3 GLN A 123 4.510 -6.371 3.293 1.00 54.23 H new ATOM 0 HG2 GLN A 123 2.595 -5.122 1.846 1.00 22.45 H new ATOM 0 HG3 GLN A 123 3.879 -3.941 1.675 1.00 22.45 H new ATOM 0 HE21 GLN A 123 4.402 -4.249 -0.454 1.00 51.12 H new ATOM 0 HE22 GLN A 123 5.046 -5.765 -1.095 1.00 51.12 H new ATOM 1896 N GLU A 124 1.173 -6.555 4.130 1.00 51.03 N ATOM 1897 CA GLU A 124 0.373 -7.760 4.316 1.00 13.55 C ATOM 1898 C GLU A 124 -0.047 -8.348 2.972 1.00 10.34 C ATOM 1899 O GLU A 124 0.316 -7.830 1.917 1.00 53.41 O ATOM 1900 CB GLU A 124 -0.866 -7.450 5.159 1.00 13.23 C ATOM 1901 CG GLU A 124 -1.862 -6.537 4.465 1.00 53.45 C ATOM 1902 CD GLU A 124 -2.844 -5.902 5.430 1.00 31.03 C ATOM 1903 OE1 GLU A 124 -2.658 -6.062 6.655 1.00 73.40 O ATOM 1904 OE2 GLU A 124 -3.798 -5.246 4.962 1.00 2.12 O ATOM 0 H GLU A 124 0.715 -5.824 3.586 1.00 51.03 H new ATOM 0 HA GLU A 124 0.985 -8.495 4.838 1.00 13.55 H new ATOM 0 HB2 GLU A 124 -1.362 -8.385 5.417 1.00 13.23 H new ATOM 0 HB3 GLU A 124 -0.552 -6.987 6.094 1.00 13.23 H new ATOM 0 HG2 GLU A 124 -1.322 -5.753 3.934 1.00 53.45 H new ATOM 0 HG3 GLU A 124 -2.412 -7.108 3.717 1.00 53.45 H new TER 1911 GLU A 124