USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 971 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 ASN : amide:sc= -1.3 K(o=-1.8,f=-5.8!) USER MOD Set 1.2: A 66 THR OG1 : rot -45:sc= -0.536 USER MOD Single : A 1 GLY N :NH3+ -140:sc= -0.0197 (180deg=-0.666) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.03 K(o=-1,f=-3.7!) USER MOD Single : A 15 CYS SG : rot 45:sc= 0.0173 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0222) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 32 TYR OH : rot -67:sc= -0.369 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -2.26! C(o=-2.3!,f=-5!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0497 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 81:sc= 0.0742 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc=0.000386 USER MOD Single : A 69 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0029) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.318 K(o=-0.32,f=-1.7!) USER MOD Single : A 82 SER OG : rot 175:sc= 0.0528 USER MOD Single : A 87 MET CE :methyl 143:sc= -0.769 (180deg=-3.88!) USER MOD Single : A 90 GLN : amide:sc= -0.38 X(o=-0.38,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0381 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -117:sc= -1.64! (180deg=-4.21!) USER MOD Single : A 104 LYS NZ :NH3+ -168:sc= -0.0521 (180deg=-0.338) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0377) USER MOD Single : A 113 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.1) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.672 7.371 -4.375 1.00 42.31 N ATOM 2 CA GLY A 1 6.614 7.015 -5.781 1.00 53.12 C ATOM 3 C GLY A 1 5.359 6.243 -6.132 1.00 15.32 C ATOM 4 O GLY A 1 5.388 5.031 -6.348 1.00 30.13 O ATOM 0 H1 GLY A 1 7.049 8.335 -4.276 1.00 42.31 H new ATOM 0 H2 GLY A 1 5.716 7.329 -3.967 1.00 42.31 H new ATOM 0 H3 GLY A 1 7.292 6.704 -3.873 1.00 42.31 H new ATOM 0 HA2 GLY A 1 6.660 7.922 -6.384 1.00 53.12 H new ATOM 0 HA3 GLY A 1 7.488 6.417 -6.038 1.00 53.12 H new ATOM 8 N PRO A 2 4.222 6.952 -6.194 1.00 31.21 N ATOM 9 CA PRO A 2 2.928 6.346 -6.520 1.00 52.14 C ATOM 10 C PRO A 2 2.846 5.905 -7.979 1.00 61.23 C ATOM 11 O PRO A 2 3.841 5.926 -8.701 1.00 11.13 O ATOM 12 CB PRO A 2 1.928 7.474 -6.247 1.00 12.20 C ATOM 13 CG PRO A 2 2.719 8.727 -6.408 1.00 2.10 C ATOM 14 CD PRO A 2 4.113 8.400 -5.949 1.00 41.33 C ATOM 0 HA PRO A 2 2.743 5.443 -5.938 1.00 52.14 H new ATOM 0 HB2 PRO A 2 1.092 7.440 -6.946 1.00 12.20 H new ATOM 0 HB3 PRO A 2 1.508 7.397 -5.244 1.00 12.20 H new ATOM 0 HG2 PRO A 2 2.718 9.058 -7.446 1.00 2.10 H new ATOM 0 HG3 PRO A 2 2.293 9.536 -5.815 1.00 2.10 H new ATOM 0 HD2 PRO A 2 4.862 8.960 -6.509 1.00 41.33 H new ATOM 0 HD3 PRO A 2 4.256 8.641 -4.896 1.00 41.33 H new ATOM 22 N GLY A 3 1.651 5.506 -8.405 1.00 13.22 N ATOM 23 CA GLY A 3 1.462 5.065 -9.775 1.00 45.42 C ATOM 24 C GLY A 3 1.191 6.217 -10.722 1.00 62.35 C ATOM 25 O GLY A 3 0.040 6.607 -10.922 1.00 22.31 O ATOM 0 H GLY A 3 0.811 5.480 -7.826 1.00 13.22 H new ATOM 0 HA2 GLY A 3 2.350 4.527 -10.106 1.00 45.42 H new ATOM 0 HA3 GLY A 3 0.630 4.362 -9.816 1.00 45.42 H new ATOM 29 N SER A 4 2.252 6.764 -11.305 1.00 25.24 N ATOM 30 CA SER A 4 2.124 7.882 -12.232 1.00 42.22 C ATOM 31 C SER A 4 1.859 7.385 -13.650 1.00 24.33 C ATOM 32 O SER A 4 1.130 8.015 -14.415 1.00 52.03 O ATOM 33 CB SER A 4 3.390 8.740 -12.209 1.00 72.23 C ATOM 34 OG SER A 4 3.687 9.174 -10.893 1.00 52.43 O ATOM 0 H SER A 4 3.211 6.451 -11.152 1.00 25.24 H new ATOM 0 HA SER A 4 1.277 8.489 -11.914 1.00 42.22 H new ATOM 0 HB2 SER A 4 4.229 8.167 -12.605 1.00 72.23 H new ATOM 0 HB3 SER A 4 3.259 9.605 -12.860 1.00 72.23 H new ATOM 0 HG SER A 4 4.501 9.719 -10.904 1.00 52.43 H new ATOM 40 N MET A 5 2.458 6.249 -13.993 1.00 41.54 N ATOM 41 CA MET A 5 2.286 5.665 -15.319 1.00 62.03 C ATOM 42 C MET A 5 1.701 4.260 -15.222 1.00 45.23 C ATOM 43 O MET A 5 1.630 3.680 -14.139 1.00 4.24 O ATOM 44 CB MET A 5 3.625 5.622 -16.057 1.00 51.55 C ATOM 45 CG MET A 5 4.680 4.782 -15.356 1.00 30.02 C ATOM 46 SD MET A 5 5.665 5.738 -14.186 1.00 52.10 S ATOM 47 CE MET A 5 7.305 5.533 -14.877 1.00 3.41 C ATOM 0 H MET A 5 3.066 5.715 -13.372 1.00 41.54 H new ATOM 0 HA MET A 5 1.591 6.291 -15.878 1.00 62.03 H new ATOM 0 HB2 MET A 5 3.465 5.226 -17.060 1.00 51.55 H new ATOM 0 HB3 MET A 5 4.000 6.639 -16.172 1.00 51.55 H new ATOM 0 HG2 MET A 5 4.194 3.961 -14.830 1.00 30.02 H new ATOM 0 HG3 MET A 5 5.339 4.337 -16.102 1.00 30.02 H new ATOM 0 HE1 MET A 5 8.028 6.069 -14.262 1.00 3.41 H new ATOM 0 HE2 MET A 5 7.561 4.474 -14.899 1.00 3.41 H new ATOM 0 HE3 MET A 5 7.325 5.932 -15.891 1.00 3.41 H new ATOM 57 N SER A 6 1.282 3.719 -16.361 1.00 44.34 N ATOM 58 CA SER A 6 0.698 2.383 -16.404 1.00 64.43 C ATOM 59 C SER A 6 1.174 1.622 -17.637 1.00 62.14 C ATOM 60 O SER A 6 1.469 2.217 -18.674 1.00 73.31 O ATOM 61 CB SER A 6 -0.829 2.471 -16.404 1.00 31.11 C ATOM 62 OG SER A 6 -1.296 3.257 -17.486 1.00 14.24 O ATOM 0 H SER A 6 1.336 4.185 -17.267 1.00 44.34 H new ATOM 0 HA SER A 6 1.024 1.842 -15.516 1.00 64.43 H new ATOM 0 HB2 SER A 6 -1.254 1.469 -16.469 1.00 31.11 H new ATOM 0 HB3 SER A 6 -1.171 2.902 -15.463 1.00 31.11 H new ATOM 0 HG SER A 6 -2.275 3.296 -17.464 1.00 14.24 H new ATOM 68 N VAL A 7 1.246 0.299 -17.517 1.00 10.34 N ATOM 69 CA VAL A 7 1.686 -0.545 -18.621 1.00 2.44 C ATOM 70 C VAL A 7 0.504 -0.995 -19.473 1.00 5.32 C ATOM 71 O VAL A 7 -0.617 -1.125 -18.981 1.00 24.25 O ATOM 72 CB VAL A 7 2.439 -1.788 -18.111 1.00 52.12 C ATOM 73 CG1 VAL A 7 1.495 -2.714 -17.359 1.00 54.24 C ATOM 74 CG2 VAL A 7 3.105 -2.519 -19.267 1.00 43.52 C ATOM 0 H VAL A 7 1.005 -0.210 -16.667 1.00 10.34 H new ATOM 0 HA VAL A 7 2.362 0.056 -19.230 1.00 2.44 H new ATOM 0 HB VAL A 7 3.216 -1.461 -17.420 1.00 52.12 H new ATOM 0 HG11 VAL A 7 2.045 -3.586 -17.006 1.00 54.24 H new ATOM 0 HG12 VAL A 7 1.069 -2.185 -16.507 1.00 54.24 H new ATOM 0 HG13 VAL A 7 0.694 -3.035 -18.024 1.00 54.24 H new ATOM 0 HG21 VAL A 7 3.632 -3.395 -18.888 1.00 43.52 H new ATOM 0 HG22 VAL A 7 2.346 -2.834 -19.984 1.00 43.52 H new ATOM 0 HG23 VAL A 7 3.814 -1.853 -19.759 1.00 43.52 H new ATOM 84 N THR A 8 0.761 -1.232 -20.755 1.00 15.13 N ATOM 85 CA THR A 8 -0.281 -1.666 -21.677 1.00 55.12 C ATOM 86 C THR A 8 0.153 -2.905 -22.453 1.00 32.31 C ATOM 87 O THR A 8 1.329 -3.062 -22.783 1.00 11.22 O ATOM 88 CB THR A 8 -0.649 -0.553 -22.675 1.00 32.32 C ATOM 89 OG1 THR A 8 -0.945 0.658 -21.970 1.00 2.03 O ATOM 90 CG2 THR A 8 -1.845 -0.958 -23.522 1.00 55.11 C ATOM 0 H THR A 8 1.683 -1.131 -21.179 1.00 15.13 H new ATOM 0 HA THR A 8 -1.156 -1.906 -21.073 1.00 55.12 H new ATOM 0 HB THR A 8 0.204 -0.391 -23.334 1.00 32.32 H new ATOM 0 HG1 THR A 8 -1.176 1.362 -22.612 1.00 2.03 H new ATOM 0 HG21 THR A 8 -2.086 -0.155 -24.219 1.00 55.11 H new ATOM 0 HG22 THR A 8 -1.606 -1.864 -24.080 1.00 55.11 H new ATOM 0 HG23 THR A 8 -2.702 -1.146 -22.875 1.00 55.11 H new ATOM 98 N ILE A 9 -0.803 -3.781 -22.742 1.00 40.31 N ATOM 99 CA ILE A 9 -0.519 -5.005 -23.481 1.00 3.44 C ATOM 100 C ILE A 9 -1.225 -5.006 -24.834 1.00 62.44 C ATOM 101 O ILE A 9 -2.385 -4.612 -24.940 1.00 5.32 O ATOM 102 CB ILE A 9 -0.948 -6.254 -22.689 1.00 0.54 C ATOM 103 CG1 ILE A 9 -0.767 -7.512 -23.541 1.00 33.21 C ATOM 104 CG2 ILE A 9 -2.393 -6.120 -22.233 1.00 54.44 C ATOM 105 CD1 ILE A 9 -1.001 -8.796 -22.778 1.00 32.30 C ATOM 0 H ILE A 9 -1.781 -3.666 -22.476 1.00 40.31 H new ATOM 0 HA ILE A 9 0.559 -5.037 -23.636 1.00 3.44 H new ATOM 0 HB ILE A 9 -0.315 -6.342 -21.806 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.454 -7.471 -24.386 1.00 33.21 H new ATOM 0 HG13 ILE A 9 0.243 -7.521 -23.951 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -2.682 -7.010 -21.675 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -2.493 -5.242 -21.594 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -3.040 -6.011 -23.103 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -0.856 -9.647 -23.444 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.297 -8.860 -21.949 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -2.020 -8.809 -22.391 1.00 32.30 H new ATOM 117 N TYR A 10 -0.516 -5.455 -25.864 1.00 4.54 N ATOM 118 CA TYR A 10 -1.074 -5.508 -27.210 1.00 30.24 C ATOM 119 C TYR A 10 -1.305 -6.952 -27.646 1.00 22.21 C ATOM 120 O TYR A 10 -0.441 -7.810 -27.476 1.00 41.11 O ATOM 121 CB TYR A 10 -0.140 -4.807 -28.199 1.00 22.32 C ATOM 122 CG TYR A 10 -0.124 -3.303 -28.054 1.00 34.41 C ATOM 123 CD1 TYR A 10 0.494 -2.696 -26.968 1.00 15.21 C ATOM 124 CD2 TYR A 10 -0.726 -2.487 -29.004 1.00 54.11 C ATOM 125 CE1 TYR A 10 0.510 -1.322 -26.831 1.00 22.30 C ATOM 126 CE2 TYR A 10 -0.713 -1.111 -28.877 1.00 20.31 C ATOM 127 CZ TYR A 10 -0.095 -0.534 -27.789 1.00 60.44 C ATOM 128 OH TYR A 10 -0.079 0.836 -27.656 1.00 41.33 O ATOM 0 H TYR A 10 0.446 -5.787 -25.792 1.00 4.54 H new ATOM 0 HA TYR A 10 -2.034 -4.992 -27.200 1.00 30.24 H new ATOM 0 HB2 TYR A 10 0.872 -5.188 -28.062 1.00 22.32 H new ATOM 0 HB3 TYR A 10 -0.442 -5.063 -29.215 1.00 22.32 H new ATOM 0 HD1 TYR A 10 0.970 -3.310 -26.218 1.00 15.21 H new ATOM 0 HD2 TYR A 10 -1.213 -2.936 -29.857 1.00 54.11 H new ATOM 0 HE1 TYR A 10 0.993 -0.867 -25.979 1.00 22.30 H new ATOM 0 HE2 TYR A 10 -1.184 -0.492 -29.626 1.00 20.31 H new ATOM 0 HH TYR A 10 -0.547 1.244 -28.415 1.00 41.33 H new ATOM 138 N GLY A 11 -2.481 -7.209 -28.212 1.00 41.24 N ATOM 139 CA GLY A 11 -2.806 -8.549 -28.666 1.00 3.41 C ATOM 140 C GLY A 11 -3.992 -8.569 -29.611 1.00 42.14 C ATOM 141 O GLY A 11 -4.358 -7.539 -30.179 1.00 61.14 O ATOM 0 H GLY A 11 -3.213 -6.515 -28.364 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -1.939 -8.980 -29.167 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -3.022 -9.179 -27.803 1.00 3.41 H new ATOM 145 N ILE A 12 -4.592 -9.742 -29.780 1.00 0.23 N ATOM 146 CA ILE A 12 -5.742 -9.890 -30.663 1.00 21.20 C ATOM 147 C ILE A 12 -6.871 -10.648 -29.973 1.00 0.25 C ATOM 148 O ILE A 12 -6.681 -11.231 -28.904 1.00 72.24 O ATOM 149 CB ILE A 12 -5.364 -10.627 -31.961 1.00 70.51 C ATOM 150 CG1 ILE A 12 -4.931 -12.062 -31.652 1.00 34.24 C ATOM 151 CG2 ILE A 12 -4.257 -9.880 -32.690 1.00 63.31 C ATOM 152 CD1 ILE A 12 -4.648 -12.887 -32.888 1.00 42.40 C ATOM 0 H ILE A 12 -4.301 -10.603 -29.317 1.00 0.23 H new ATOM 0 HA ILE A 12 -6.081 -8.884 -30.911 1.00 21.20 H new ATOM 0 HB ILE A 12 -6.240 -10.664 -32.609 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -4.037 -12.037 -31.029 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -5.712 -12.551 -31.069 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -4.000 -10.413 -33.606 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -4.599 -8.875 -32.939 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -3.378 -9.816 -32.049 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -4.347 -13.892 -32.593 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -5.547 -12.943 -33.502 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -3.846 -12.421 -33.461 1.00 42.40 H new ATOM 164 N LYS A 13 -8.047 -10.640 -30.591 1.00 73.52 N ATOM 165 CA LYS A 13 -9.207 -11.329 -30.038 1.00 71.53 C ATOM 166 C LYS A 13 -9.562 -12.554 -30.876 1.00 42.41 C ATOM 167 O LYS A 13 -10.736 -12.865 -31.072 1.00 70.40 O ATOM 168 CB LYS A 13 -10.406 -10.379 -29.971 1.00 10.01 C ATOM 169 CG LYS A 13 -11.488 -10.834 -29.007 1.00 12.21 C ATOM 170 CD LYS A 13 -12.668 -9.876 -29.002 1.00 11.45 C ATOM 171 CE LYS A 13 -13.627 -10.167 -30.145 1.00 71.10 C ATOM 172 NZ LYS A 13 -14.941 -9.493 -29.953 1.00 71.14 N ATOM 0 H LYS A 13 -8.222 -10.164 -31.476 1.00 73.52 H new ATOM 0 HA LYS A 13 -8.956 -11.660 -29.030 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -10.059 -9.389 -29.674 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -10.837 -10.280 -30.967 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -11.829 -11.831 -29.285 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -11.074 -10.908 -28.002 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -13.198 -9.954 -28.053 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -12.306 -8.851 -29.081 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -13.183 -9.836 -31.084 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -13.779 -11.243 -30.226 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -15.566 -9.717 -30.754 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -15.377 -9.827 -29.070 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -14.799 -8.464 -29.901 1.00 71.14 H new ATOM 186 N ASN A 14 -8.539 -13.246 -31.368 1.00 14.55 N ATOM 187 CA ASN A 14 -8.744 -14.437 -32.182 1.00 43.33 C ATOM 188 C ASN A 14 -7.725 -15.518 -31.833 1.00 4.54 C ATOM 189 O ASN A 14 -7.123 -16.127 -32.718 1.00 13.15 O ATOM 190 CB ASN A 14 -8.643 -14.088 -33.668 1.00 12.44 C ATOM 191 CG ASN A 14 -9.754 -13.159 -34.121 1.00 1.15 C ATOM 192 OD1 ASN A 14 -9.896 -12.048 -33.611 1.00 11.24 O ATOM 193 ND2 ASN A 14 -10.549 -13.613 -35.083 1.00 4.23 N ATOM 0 H ASN A 14 -7.560 -13.002 -31.217 1.00 14.55 H new ATOM 0 HA ASN A 14 -9.742 -14.822 -31.972 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -7.679 -13.619 -33.864 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -8.677 -15.005 -34.257 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -11.314 -13.034 -35.428 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -10.394 -14.541 -35.477 1.00 4.23 H new ATOM 200 N CYS A 15 -7.537 -15.749 -30.538 1.00 13.42 N ATOM 201 CA CYS A 15 -6.591 -16.756 -30.071 1.00 5.12 C ATOM 202 C CYS A 15 -6.958 -17.239 -28.672 1.00 45.42 C ATOM 203 O CYS A 15 -7.959 -16.809 -28.098 1.00 62.11 O ATOM 204 CB CYS A 15 -5.170 -16.189 -30.071 1.00 22.14 C ATOM 205 SG CYS A 15 -4.106 -16.867 -31.365 1.00 2.24 S ATOM 0 H CYS A 15 -8.027 -15.253 -29.794 1.00 13.42 H new ATOM 0 HA CYS A 15 -6.636 -17.605 -30.753 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -5.222 -15.107 -30.188 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -4.713 -16.383 -29.101 1.00 22.14 H new ATOM 0 HG CYS A 15 -4.759 -16.905 -32.488 1.00 2.24 H new ATOM 211 N ASP A 16 -6.144 -18.138 -28.129 1.00 14.03 N ATOM 212 CA ASP A 16 -6.383 -18.681 -26.798 1.00 11.23 C ATOM 213 C ASP A 16 -5.283 -18.257 -25.831 1.00 34.34 C ATOM 214 O ASP A 16 -5.522 -18.087 -24.636 1.00 45.12 O ATOM 215 CB ASP A 16 -6.469 -20.207 -26.854 1.00 50.21 C ATOM 216 CG ASP A 16 -7.194 -20.702 -28.090 1.00 54.43 C ATOM 217 OD1 ASP A 16 -8.438 -20.594 -28.131 1.00 34.14 O ATOM 218 OD2 ASP A 16 -6.518 -21.195 -29.016 1.00 34.04 O ATOM 0 H ASP A 16 -5.312 -18.506 -28.591 1.00 14.03 H new ATOM 0 HA ASP A 16 -7.332 -18.284 -26.437 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -5.463 -20.625 -26.835 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -6.983 -20.572 -25.965 1.00 50.21 H new ATOM 223 N THR A 17 -4.074 -18.086 -26.358 1.00 62.21 N ATOM 224 CA THR A 17 -2.934 -17.683 -25.542 1.00 10.24 C ATOM 225 C THR A 17 -3.256 -16.434 -24.729 1.00 43.54 C ATOM 226 O THR A 17 -2.908 -16.342 -23.552 1.00 32.13 O ATOM 227 CB THR A 17 -1.690 -17.411 -26.409 1.00 64.53 C ATOM 228 OG1 THR A 17 -1.600 -18.386 -27.455 1.00 51.14 O ATOM 229 CG2 THR A 17 -0.425 -17.447 -25.565 1.00 13.05 C ATOM 0 H THR A 17 -3.859 -18.220 -27.346 1.00 62.21 H new ATOM 0 HA THR A 17 -2.721 -18.510 -24.865 1.00 10.24 H new ATOM 0 HB THR A 17 -1.788 -16.417 -26.846 1.00 64.53 H new ATOM 0 HG1 THR A 17 -0.808 -18.206 -28.003 1.00 51.14 H new ATOM 0 HG21 THR A 17 0.441 -17.252 -26.198 1.00 13.05 H new ATOM 0 HG22 THR A 17 -0.485 -16.685 -24.788 1.00 13.05 H new ATOM 0 HG23 THR A 17 -0.323 -18.429 -25.104 1.00 13.05 H new ATOM 237 N MET A 18 -3.921 -15.475 -25.364 1.00 61.22 N ATOM 238 CA MET A 18 -4.290 -14.231 -24.698 1.00 4.42 C ATOM 239 C MET A 18 -5.018 -14.513 -23.387 1.00 72.34 C ATOM 240 O MET A 18 -4.815 -13.817 -22.391 1.00 54.40 O ATOM 241 CB MET A 18 -5.173 -13.380 -25.611 1.00 41.43 C ATOM 242 CG MET A 18 -4.387 -12.474 -26.546 1.00 42.31 C ATOM 243 SD MET A 18 -4.883 -10.746 -26.417 1.00 61.21 S ATOM 244 CE MET A 18 -3.755 -10.163 -25.154 1.00 35.43 C ATOM 0 H MET A 18 -4.215 -15.535 -26.339 1.00 61.22 H new ATOM 0 HA MET A 18 -3.375 -13.682 -24.476 1.00 4.42 H new ATOM 0 HB2 MET A 18 -5.808 -14.038 -26.205 1.00 41.43 H new ATOM 0 HB3 MET A 18 -5.834 -12.769 -24.997 1.00 41.43 H new ATOM 0 HG2 MET A 18 -3.324 -12.561 -26.321 1.00 42.31 H new ATOM 0 HG3 MET A 18 -4.524 -12.812 -27.573 1.00 42.31 H new ATOM 0 HE1 MET A 18 -3.939 -9.106 -24.962 1.00 35.43 H new ATOM 0 HE2 MET A 18 -3.911 -10.731 -24.237 1.00 35.43 H new ATOM 0 HE3 MET A 18 -2.728 -10.297 -25.493 1.00 35.43 H new ATOM 254 N LYS A 19 -5.865 -15.535 -23.393 1.00 34.45 N ATOM 255 CA LYS A 19 -6.622 -15.910 -22.204 1.00 44.21 C ATOM 256 C LYS A 19 -5.689 -16.200 -21.033 1.00 43.12 C ATOM 257 O LYS A 19 -5.857 -15.657 -19.942 1.00 22.52 O ATOM 258 CB LYS A 19 -7.490 -17.137 -22.493 1.00 42.21 C ATOM 259 CG LYS A 19 -8.784 -17.167 -21.697 1.00 0.44 C ATOM 260 CD LYS A 19 -9.890 -16.398 -22.399 1.00 30.12 C ATOM 261 CE LYS A 19 -11.260 -16.768 -21.853 1.00 54.50 C ATOM 262 NZ LYS A 19 -11.435 -16.318 -20.445 1.00 12.14 N ATOM 0 H LYS A 19 -6.045 -16.120 -24.209 1.00 34.45 H new ATOM 0 HA LYS A 19 -7.265 -15.072 -21.935 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -7.727 -17.162 -23.557 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -6.917 -18.037 -22.273 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -9.097 -18.201 -21.548 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -8.614 -16.740 -20.709 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -9.725 -15.328 -22.276 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -9.856 -16.605 -23.469 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -12.033 -16.319 -22.477 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -11.393 -17.848 -21.908 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -12.381 -16.589 -20.109 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -10.713 -16.766 -19.845 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -11.333 -15.284 -20.396 1.00 12.14 H new ATOM 276 N LYS A 20 -4.702 -17.059 -21.267 1.00 34.44 N ATOM 277 CA LYS A 20 -3.739 -17.420 -20.233 1.00 13.54 C ATOM 278 C LYS A 20 -2.947 -16.199 -19.778 1.00 54.33 C ATOM 279 O LYS A 20 -2.794 -15.958 -18.581 1.00 71.32 O ATOM 280 CB LYS A 20 -2.783 -18.497 -20.751 1.00 51.40 C ATOM 281 CG LYS A 20 -3.488 -19.670 -21.411 1.00 41.13 C ATOM 282 CD LYS A 20 -4.491 -20.317 -20.471 1.00 21.45 C ATOM 283 CE LYS A 20 -4.906 -21.696 -20.962 1.00 33.50 C ATOM 284 NZ LYS A 20 -3.854 -22.718 -20.699 1.00 30.33 N ATOM 0 H LYS A 20 -4.548 -17.518 -22.165 1.00 34.44 H new ATOM 0 HA LYS A 20 -4.291 -17.813 -19.379 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -2.096 -18.047 -21.468 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -2.181 -18.866 -19.921 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -3.999 -19.329 -22.311 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -2.751 -20.410 -21.724 1.00 41.13 H new ATOM 0 HD2 LYS A 20 -4.057 -20.400 -19.475 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -5.372 -19.681 -20.383 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -5.832 -21.993 -20.470 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -5.112 -21.654 -22.031 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -4.213 -23.660 -20.954 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -3.011 -22.503 -21.269 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -3.602 -22.705 -19.690 1.00 30.33 H new ATOM 298 N ALA A 21 -2.447 -15.431 -20.740 1.00 53.12 N ATOM 299 CA ALA A 21 -1.674 -14.232 -20.437 1.00 1.22 C ATOM 300 C ALA A 21 -2.478 -13.263 -19.578 1.00 43.50 C ATOM 301 O ALA A 21 -1.975 -12.733 -18.588 1.00 22.15 O ATOM 302 CB ALA A 21 -1.227 -13.554 -21.724 1.00 20.30 C ATOM 0 H ALA A 21 -2.563 -15.617 -21.736 1.00 53.12 H new ATOM 0 HA ALA A 21 -0.792 -14.531 -19.871 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -0.651 -12.660 -21.483 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.607 -14.241 -22.301 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -2.102 -13.275 -22.311 1.00 20.30 H new ATOM 308 N ARG A 22 -3.730 -13.035 -19.963 1.00 25.34 N ATOM 309 CA ARG A 22 -4.603 -12.128 -19.228 1.00 62.34 C ATOM 310 C ARG A 22 -4.843 -12.636 -17.809 1.00 32.15 C ATOM 311 O ARG A 22 -4.704 -11.888 -16.841 1.00 70.51 O ATOM 312 CB ARG A 22 -5.937 -11.968 -19.957 1.00 44.13 C ATOM 313 CG ARG A 22 -5.903 -10.934 -21.071 1.00 55.33 C ATOM 314 CD ARG A 22 -7.149 -11.008 -21.938 1.00 32.33 C ATOM 315 NE ARG A 22 -8.373 -10.962 -21.144 1.00 60.44 N ATOM 316 CZ ARG A 22 -8.847 -9.853 -20.587 1.00 11.23 C ATOM 317 NH1 ARG A 22 -8.204 -8.704 -20.739 1.00 3.41 N ATOM 318 NH2 ARG A 22 -9.969 -9.893 -19.877 1.00 10.54 N ATOM 0 H ARG A 22 -4.162 -13.466 -20.780 1.00 25.34 H new ATOM 0 HA ARG A 22 -4.111 -11.157 -19.169 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.230 -12.931 -20.375 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -6.704 -11.687 -19.235 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -5.817 -9.936 -20.640 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -5.019 -11.092 -21.689 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -7.146 -10.181 -22.648 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -7.130 -11.928 -22.522 1.00 32.33 H new ATOM 0 HE ARG A 22 -8.893 -11.829 -21.009 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -7.343 -8.670 -21.285 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -8.570 -7.854 -20.310 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -10.467 -10.775 -19.759 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -10.333 -9.041 -19.449 1.00 10.54 H new ATOM 332 N ILE A 23 -5.205 -13.909 -17.695 1.00 34.41 N ATOM 333 CA ILE A 23 -5.464 -14.516 -16.396 1.00 74.45 C ATOM 334 C ILE A 23 -4.232 -14.444 -15.499 1.00 44.23 C ATOM 335 O ILE A 23 -4.346 -14.299 -14.282 1.00 42.13 O ATOM 336 CB ILE A 23 -5.895 -15.988 -16.537 1.00 2.43 C ATOM 337 CG1 ILE A 23 -7.172 -16.089 -17.374 1.00 24.30 C ATOM 338 CG2 ILE A 23 -6.104 -16.613 -15.166 1.00 3.12 C ATOM 339 CD1 ILE A 23 -7.303 -17.397 -18.123 1.00 52.43 C ATOM 0 H ILE A 23 -5.326 -14.540 -18.487 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.276 -13.950 -15.941 1.00 74.45 H new ATOM 0 HB ILE A 23 -5.103 -16.536 -17.047 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -8.036 -15.966 -16.720 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -7.194 -15.267 -18.089 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -6.408 -17.653 -15.283 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -5.173 -16.569 -14.600 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -6.880 -16.066 -14.631 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -8.231 -17.398 -18.694 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.459 -17.513 -18.802 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -7.314 -18.224 -17.413 1.00 52.43 H new ATOM 351 N TRP A 24 -3.057 -14.543 -16.110 1.00 31.51 N ATOM 352 CA TRP A 24 -1.803 -14.486 -15.367 1.00 62.05 C ATOM 353 C TRP A 24 -1.560 -13.085 -14.815 1.00 74.25 C ATOM 354 O TRP A 24 -1.332 -12.910 -13.617 1.00 4.31 O ATOM 355 CB TRP A 24 -0.637 -14.904 -16.263 1.00 3.42 C ATOM 356 CG TRP A 24 0.450 -15.626 -15.525 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.704 -16.967 -15.546 1.00 42.14 C ATOM 358 CD2 TRP A 24 1.428 -15.044 -14.655 1.00 0.54 C ATOM 359 NE1 TRP A 24 1.781 -17.255 -14.741 1.00 71.32 N ATOM 360 CE2 TRP A 24 2.243 -16.092 -14.184 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.696 -13.741 -14.230 1.00 41.34 C ATOM 362 CZ2 TRP A 24 3.304 -15.875 -13.310 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.748 -13.526 -13.362 1.00 2.15 C ATOM 364 CH2 TRP A 24 3.543 -14.588 -12.910 1.00 64.41 C ATOM 0 H TRP A 24 -2.946 -14.663 -17.117 1.00 31.51 H new ATOM 0 HA TRP A 24 -1.874 -15.179 -14.528 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -1.013 -15.545 -17.061 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.217 -14.017 -16.738 1.00 3.42 H new ATOM 0 HD1 TRP A 24 0.142 -17.695 -16.112 1.00 42.14 H new ATOM 0 HE1 TRP A 24 2.172 -18.184 -14.584 1.00 71.32 H new ATOM 0 HE3 TRP A 24 1.091 -12.916 -14.574 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 3.917 -16.693 -12.960 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 2.962 -12.522 -13.026 1.00 2.15 H new ATOM 0 HH2 TRP A 24 4.360 -14.387 -12.233 1.00 64.41 H new ATOM 375 N LEU A 25 -1.610 -12.091 -15.695 1.00 11.33 N ATOM 376 CA LEU A 25 -1.395 -10.705 -15.295 1.00 44.32 C ATOM 377 C LEU A 25 -2.462 -10.252 -14.303 1.00 51.32 C ATOM 378 O LEU A 25 -2.182 -9.478 -13.388 1.00 43.22 O ATOM 379 CB LEU A 25 -1.404 -9.791 -16.522 1.00 70.24 C ATOM 380 CG LEU A 25 -0.053 -9.567 -17.202 1.00 60.23 C ATOM 381 CD1 LEU A 25 0.861 -8.739 -16.312 1.00 21.14 C ATOM 382 CD2 LEU A 25 0.598 -10.898 -17.547 1.00 3.23 C ATOM 0 H LEU A 25 -1.797 -12.219 -16.689 1.00 11.33 H new ATOM 0 HA LEU A 25 -0.422 -10.641 -14.809 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.093 -10.209 -17.256 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -1.804 -8.821 -16.225 1.00 70.24 H new ATOM 0 HG LEU A 25 -0.221 -9.017 -18.128 1.00 60.23 H new ATOM 0 HD11 LEU A 25 1.818 -8.590 -16.812 1.00 21.14 H new ATOM 0 HD12 LEU A 25 0.399 -7.771 -16.116 1.00 21.14 H new ATOM 0 HD13 LEU A 25 1.022 -9.262 -15.369 1.00 21.14 H new ATOM 0 HD21 LEU A 25 1.558 -10.719 -18.030 1.00 3.23 H new ATOM 0 HD22 LEU A 25 0.753 -11.475 -16.635 1.00 3.23 H new ATOM 0 HD23 LEU A 25 -0.050 -11.456 -18.223 1.00 3.23 H new ATOM 394 N GLU A 26 -3.684 -10.742 -14.491 1.00 61.23 N ATOM 395 CA GLU A 26 -4.791 -10.389 -13.611 1.00 64.31 C ATOM 396 C GLU A 26 -4.657 -11.087 -12.260 1.00 74.22 C ATOM 397 O GLU A 26 -4.727 -10.448 -11.210 1.00 53.23 O ATOM 398 CB GLU A 26 -6.126 -10.761 -14.260 1.00 32.45 C ATOM 399 CG GLU A 26 -6.697 -9.668 -15.147 1.00 31.13 C ATOM 400 CD GLU A 26 -7.078 -8.424 -14.368 1.00 44.21 C ATOM 401 OE1 GLU A 26 -6.178 -7.610 -14.075 1.00 13.03 O ATOM 402 OE2 GLU A 26 -8.275 -8.265 -14.052 1.00 61.24 O ATOM 0 H GLU A 26 -3.931 -11.384 -15.244 1.00 61.23 H new ATOM 0 HA GLU A 26 -4.762 -9.312 -13.448 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -5.992 -11.666 -14.853 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -6.848 -10.996 -13.478 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -5.964 -9.404 -15.910 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -7.575 -10.050 -15.667 1.00 31.13 H new ATOM 409 N ASP A 27 -4.466 -12.401 -12.297 1.00 34.31 N ATOM 410 CA ASP A 27 -4.322 -13.186 -11.076 1.00 72.41 C ATOM 411 C ASP A 27 -3.204 -12.629 -10.200 1.00 33.14 C ATOM 412 O ASP A 27 -3.368 -12.476 -8.990 1.00 3.11 O ATOM 413 CB ASP A 27 -4.037 -14.650 -11.417 1.00 42.32 C ATOM 414 CG ASP A 27 -4.012 -15.536 -10.188 1.00 63.52 C ATOM 415 OD1 ASP A 27 -4.794 -15.274 -9.251 1.00 71.12 O ATOM 416 OD2 ASP A 27 -3.212 -16.495 -10.164 1.00 45.10 O ATOM 0 H ASP A 27 -4.407 -12.945 -13.158 1.00 34.31 H new ATOM 0 HA ASP A 27 -5.258 -13.125 -10.522 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -4.797 -15.014 -12.108 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -3.079 -14.720 -11.932 1.00 42.32 H new ATOM 421 N HIS A 28 -2.067 -12.329 -10.820 1.00 21.13 N ATOM 422 CA HIS A 28 -0.921 -11.789 -10.096 1.00 13.54 C ATOM 423 C HIS A 28 -1.244 -10.415 -9.517 1.00 43.42 C ATOM 424 O HIS A 28 -0.546 -9.926 -8.629 1.00 0.32 O ATOM 425 CB HIS A 28 0.293 -11.694 -11.020 1.00 14.43 C ATOM 426 CG HIS A 28 1.598 -11.625 -10.288 1.00 55.54 C ATOM 427 ND1 HIS A 28 2.203 -10.436 -9.938 1.00 12.03 N ATOM 428 CD2 HIS A 28 2.413 -12.607 -9.837 1.00 71.45 C ATOM 429 CE1 HIS A 28 3.335 -10.689 -9.306 1.00 24.52 C ATOM 430 NE2 HIS A 28 3.486 -12.000 -9.232 1.00 21.13 N ATOM 0 H HIS A 28 -1.914 -12.450 -11.821 1.00 21.13 H new ATOM 0 HA HIS A 28 -0.689 -12.465 -9.273 1.00 13.54 H new ATOM 0 HB2 HIS A 28 0.303 -12.559 -11.683 1.00 14.43 H new ATOM 0 HB3 HIS A 28 0.192 -10.810 -11.650 1.00 14.43 H new ATOM 0 HD2 HIS A 28 2.250 -13.670 -9.935 1.00 71.45 H new ATOM 0 HE1 HIS A 28 4.020 -9.951 -8.916 1.00 24.52 H new ATOM 0 HE2 HIS A 28 4.272 -12.483 -8.796 1.00 21.13 H new ATOM 438 N GLY A 29 -2.305 -9.796 -10.025 1.00 43.32 N ATOM 439 CA GLY A 29 -2.700 -8.485 -9.547 1.00 61.30 C ATOM 440 C GLY A 29 -1.817 -7.380 -10.091 1.00 13.24 C ATOM 441 O GLY A 29 -1.344 -6.527 -9.338 1.00 52.32 O ATOM 0 H GLY A 29 -2.899 -10.180 -10.760 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -3.734 -8.294 -9.833 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -2.663 -8.472 -8.458 1.00 61.30 H new ATOM 445 N ILE A 30 -1.592 -7.394 -11.401 1.00 54.44 N ATOM 446 CA ILE A 30 -0.760 -6.384 -12.044 1.00 74.22 C ATOM 447 C ILE A 30 -1.609 -5.390 -12.828 1.00 61.31 C ATOM 448 O ILE A 30 -2.563 -5.772 -13.506 1.00 14.22 O ATOM 449 CB ILE A 30 0.268 -7.027 -12.993 1.00 33.02 C ATOM 450 CG1 ILE A 30 1.186 -7.976 -12.221 1.00 74.32 C ATOM 451 CG2 ILE A 30 1.082 -5.950 -13.697 1.00 52.12 C ATOM 452 CD1 ILE A 30 1.985 -8.902 -13.111 1.00 25.45 C ATOM 0 H ILE A 30 -1.974 -8.093 -12.038 1.00 54.44 H new ATOM 0 HA ILE A 30 -0.231 -5.857 -11.250 1.00 74.22 H new ATOM 0 HB ILE A 30 -0.267 -7.605 -13.747 1.00 33.02 H new ATOM 0 HG12 ILE A 30 1.873 -7.388 -11.612 1.00 74.32 H new ATOM 0 HG13 ILE A 30 0.584 -8.573 -11.536 1.00 74.32 H new ATOM 0 HG21 ILE A 30 1.805 -6.419 -14.365 1.00 52.12 H new ATOM 0 HG22 ILE A 30 0.416 -5.310 -14.275 1.00 52.12 H new ATOM 0 HG23 ILE A 30 1.609 -5.349 -12.956 1.00 52.12 H new ATOM 0 HD11 ILE A 30 2.613 -9.546 -12.495 1.00 25.45 H new ATOM 0 HD12 ILE A 30 1.305 -9.516 -13.701 1.00 25.45 H new ATOM 0 HD13 ILE A 30 2.614 -8.312 -13.778 1.00 25.45 H new ATOM 464 N ASP A 31 -1.254 -4.114 -12.733 1.00 75.12 N ATOM 465 CA ASP A 31 -1.981 -3.063 -13.436 1.00 21.24 C ATOM 466 C ASP A 31 -1.536 -2.976 -14.893 1.00 75.12 C ATOM 467 O ASP A 31 -0.446 -2.486 -15.191 1.00 63.43 O ATOM 468 CB ASP A 31 -1.770 -1.716 -12.744 1.00 24.41 C ATOM 469 CG ASP A 31 -2.607 -0.611 -13.359 1.00 12.42 C ATOM 470 OD1 ASP A 31 -3.843 -0.637 -13.185 1.00 24.32 O ATOM 471 OD2 ASP A 31 -2.025 0.278 -14.014 1.00 60.30 O ATOM 0 H ASP A 31 -0.467 -3.782 -12.176 1.00 75.12 H new ATOM 0 HA ASP A 31 -3.042 -3.312 -13.413 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -2.019 -1.811 -11.687 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -0.716 -1.443 -12.800 1.00 24.41 H new ATOM 476 N TYR A 32 -2.385 -3.455 -15.795 1.00 1.34 N ATOM 477 CA TYR A 32 -2.078 -3.434 -17.220 1.00 14.55 C ATOM 478 C TYR A 32 -3.349 -3.277 -18.050 1.00 23.04 C ATOM 479 O TYR A 32 -4.356 -3.940 -17.797 1.00 43.04 O ATOM 480 CB TYR A 32 -1.346 -4.714 -17.625 1.00 44.01 C ATOM 481 CG TYR A 32 -2.255 -5.915 -17.756 1.00 2.43 C ATOM 482 CD1 TYR A 32 -3.062 -6.320 -16.700 1.00 2.21 C ATOM 483 CD2 TYR A 32 -2.307 -6.646 -18.937 1.00 41.42 C ATOM 484 CE1 TYR A 32 -3.894 -7.417 -16.816 1.00 1.10 C ATOM 485 CE2 TYR A 32 -3.137 -7.743 -19.062 1.00 0.12 C ATOM 486 CZ TYR A 32 -3.929 -8.125 -17.999 1.00 70.01 C ATOM 487 OH TYR A 32 -4.755 -9.218 -18.119 1.00 34.31 O ATOM 0 H TYR A 32 -3.291 -3.863 -15.565 1.00 1.34 H new ATOM 0 HA TYR A 32 -1.432 -2.578 -17.413 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -0.839 -4.547 -18.575 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -0.575 -4.931 -16.886 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -3.039 -5.768 -15.772 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -1.688 -6.351 -19.771 1.00 41.42 H new ATOM 0 HE1 TYR A 32 -4.514 -7.718 -15.984 1.00 1.10 H new ATOM 0 HE2 TYR A 32 -3.166 -8.299 -19.987 1.00 0.12 H new ATOM 0 HH TYR A 32 -4.440 -9.933 -17.527 1.00 34.31 H new ATOM 497 N THR A 33 -3.295 -2.396 -19.043 1.00 12.42 N ATOM 498 CA THR A 33 -4.441 -2.151 -19.911 1.00 70.00 C ATOM 499 C THR A 33 -4.434 -3.092 -21.110 1.00 44.51 C ATOM 500 O THR A 33 -3.381 -3.379 -21.680 1.00 22.54 O ATOM 501 CB THR A 33 -4.462 -0.695 -20.415 1.00 0.30 C ATOM 502 OG1 THR A 33 -4.078 0.194 -19.361 1.00 62.20 O ATOM 503 CG2 THR A 33 -5.846 -0.319 -20.923 1.00 52.41 C ATOM 0 H THR A 33 -2.470 -1.840 -19.267 1.00 12.42 H new ATOM 0 HA THR A 33 -5.335 -2.335 -19.314 1.00 70.00 H new ATOM 0 HB THR A 33 -3.753 -0.608 -21.239 1.00 0.30 H new ATOM 0 HG1 THR A 33 -4.092 1.117 -19.690 1.00 62.20 H new ATOM 0 HG21 THR A 33 -5.837 0.713 -21.274 1.00 52.41 H new ATOM 0 HG22 THR A 33 -6.124 -0.979 -21.745 1.00 52.41 H new ATOM 0 HG23 THR A 33 -6.570 -0.421 -20.115 1.00 52.41 H new ATOM 511 N PHE A 34 -5.615 -3.571 -21.486 1.00 20.02 N ATOM 512 CA PHE A 34 -5.745 -4.480 -22.619 1.00 51.35 C ATOM 513 C PHE A 34 -5.972 -3.708 -23.914 1.00 63.42 C ATOM 514 O PHE A 34 -6.903 -2.909 -24.019 1.00 51.44 O ATOM 515 CB PHE A 34 -6.899 -5.457 -22.386 1.00 74.40 C ATOM 516 CG PHE A 34 -7.235 -6.288 -23.591 1.00 73.23 C ATOM 517 CD1 PHE A 34 -6.232 -6.887 -24.337 1.00 15.04 C ATOM 518 CD2 PHE A 34 -8.552 -6.471 -23.978 1.00 54.34 C ATOM 519 CE1 PHE A 34 -6.537 -7.652 -25.447 1.00 11.43 C ATOM 520 CE2 PHE A 34 -8.863 -7.236 -25.087 1.00 31.14 C ATOM 521 CZ PHE A 34 -7.854 -7.826 -25.822 1.00 71.33 C ATOM 0 H PHE A 34 -6.495 -3.345 -21.023 1.00 20.02 H new ATOM 0 HA PHE A 34 -4.815 -5.041 -22.710 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -6.643 -6.119 -21.559 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -7.783 -4.896 -22.083 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -5.200 -6.754 -24.047 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -9.345 -6.011 -23.407 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -5.746 -8.113 -26.020 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -9.894 -7.372 -25.378 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.095 -8.423 -26.689 1.00 71.33 H new ATOM 531 N HIS A 35 -5.114 -3.951 -24.900 1.00 30.12 N ATOM 532 CA HIS A 35 -5.219 -3.278 -26.189 1.00 4.21 C ATOM 533 C HIS A 35 -5.214 -4.290 -27.332 1.00 71.42 C ATOM 534 O HIS A 35 -4.293 -5.096 -27.455 1.00 23.35 O ATOM 535 CB HIS A 35 -4.070 -2.286 -26.367 1.00 32.13 C ATOM 536 CG HIS A 35 -4.353 -0.932 -25.791 1.00 2.30 C ATOM 537 ND1 HIS A 35 -5.401 -0.686 -24.928 1.00 73.35 N ATOM 538 CD2 HIS A 35 -3.718 0.251 -25.957 1.00 54.12 C ATOM 539 CE1 HIS A 35 -5.399 0.591 -24.591 1.00 51.22 C ATOM 540 NE2 HIS A 35 -4.387 1.182 -25.201 1.00 32.22 N ATOM 0 H HIS A 35 -4.338 -4.609 -24.830 1.00 30.12 H new ATOM 0 HA HIS A 35 -6.164 -2.735 -26.211 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -3.174 -2.692 -25.897 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -3.852 -2.181 -27.430 1.00 32.13 H new ATOM 0 HD1 HIS A 35 -6.072 -1.381 -24.601 1.00 73.35 H new ATOM 0 HD2 HIS A 35 -2.847 0.430 -26.570 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -6.105 1.071 -23.929 1.00 51.22 H new ATOM 548 N ASP A 36 -6.250 -4.241 -28.163 1.00 25.23 N ATOM 549 CA ASP A 36 -6.365 -5.154 -29.295 1.00 42.21 C ATOM 550 C ASP A 36 -5.925 -4.473 -30.588 1.00 1.23 C ATOM 551 O ASP A 36 -6.037 -3.255 -30.729 1.00 31.51 O ATOM 552 CB ASP A 36 -7.804 -5.653 -29.431 1.00 24.32 C ATOM 553 CG ASP A 36 -7.880 -7.040 -30.038 1.00 34.45 C ATOM 554 OD1 ASP A 36 -7.675 -8.023 -29.297 1.00 21.31 O ATOM 555 OD2 ASP A 36 -8.144 -7.143 -31.254 1.00 70.42 O ATOM 0 H ASP A 36 -7.021 -3.580 -28.074 1.00 25.23 H new ATOM 0 HA ASP A 36 -5.710 -6.006 -29.112 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -8.277 -5.663 -28.449 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.370 -4.957 -30.050 1.00 24.32 H new ATOM 560 N TYR A 37 -5.424 -5.267 -31.528 1.00 30.14 N ATOM 561 CA TYR A 37 -4.965 -4.741 -32.808 1.00 33.02 C ATOM 562 C TYR A 37 -6.087 -3.997 -33.526 1.00 52.25 C ATOM 563 O TYR A 37 -5.845 -3.022 -34.238 1.00 44.22 O ATOM 564 CB TYR A 37 -4.443 -5.876 -33.691 1.00 4.33 C ATOM 565 CG TYR A 37 -5.538 -6.715 -34.309 1.00 34.33 C ATOM 566 CD1 TYR A 37 -6.301 -7.577 -33.531 1.00 74.22 C ATOM 567 CD2 TYR A 37 -5.810 -6.647 -35.669 1.00 30.14 C ATOM 568 CE1 TYR A 37 -7.302 -8.347 -34.091 1.00 34.11 C ATOM 569 CE2 TYR A 37 -6.810 -7.412 -36.237 1.00 74.45 C ATOM 570 CZ TYR A 37 -7.553 -8.260 -35.444 1.00 12.12 C ATOM 571 OH TYR A 37 -8.549 -9.025 -36.006 1.00 41.03 O ATOM 0 H TYR A 37 -5.325 -6.277 -31.427 1.00 30.14 H new ATOM 0 HA TYR A 37 -4.155 -4.038 -32.614 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -3.828 -5.453 -34.486 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -3.796 -6.520 -33.096 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -6.108 -7.646 -32.471 1.00 74.22 H new ATOM 0 HD2 TYR A 37 -5.229 -5.984 -36.294 1.00 30.14 H new ATOM 0 HE1 TYR A 37 -7.885 -9.013 -33.472 1.00 34.11 H new ATOM 0 HE2 TYR A 37 -7.009 -7.346 -37.297 1.00 74.45 H new ATOM 0 HH TYR A 37 -8.597 -8.844 -36.968 1.00 41.03 H new ATOM 581 N LYS A 38 -7.316 -4.464 -33.333 1.00 0.11 N ATOM 582 CA LYS A 38 -8.477 -3.844 -33.958 1.00 54.34 C ATOM 583 C LYS A 38 -9.016 -2.706 -33.098 1.00 63.30 C ATOM 584 O LYS A 38 -9.186 -1.582 -33.572 1.00 51.11 O ATOM 585 CB LYS A 38 -9.574 -4.886 -34.189 1.00 63.31 C ATOM 586 CG LYS A 38 -10.640 -4.438 -35.175 1.00 54.42 C ATOM 587 CD LYS A 38 -11.942 -5.193 -34.969 1.00 63.40 C ATOM 588 CE LYS A 38 -13.143 -4.360 -35.391 1.00 74.30 C ATOM 589 NZ LYS A 38 -14.415 -4.903 -34.840 1.00 30.43 N ATOM 0 H LYS A 38 -7.533 -5.271 -32.748 1.00 0.11 H new ATOM 0 HA LYS A 38 -8.165 -3.433 -34.918 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -9.118 -5.807 -34.553 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -10.048 -5.120 -33.236 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -10.816 -3.368 -35.061 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -10.284 -4.595 -36.193 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -11.921 -6.120 -35.543 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -12.041 -5.470 -33.919 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -13.010 -3.333 -35.052 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -13.201 -4.332 -36.479 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -15.210 -4.308 -35.150 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -14.555 -5.875 -35.184 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -14.370 -4.906 -33.801 1.00 30.43 H new ATOM 603 N LYS A 39 -9.282 -3.002 -31.831 1.00 13.11 N ATOM 604 CA LYS A 39 -9.799 -2.004 -30.903 1.00 43.13 C ATOM 605 C LYS A 39 -8.900 -0.771 -30.874 1.00 2.14 C ATOM 606 O LYS A 39 -9.379 0.360 -30.956 1.00 41.33 O ATOM 607 CB LYS A 39 -9.916 -2.596 -29.497 1.00 74.40 C ATOM 608 CG LYS A 39 -11.193 -3.388 -29.275 1.00 14.42 C ATOM 609 CD LYS A 39 -11.240 -4.627 -30.152 1.00 32.52 C ATOM 610 CE LYS A 39 -12.482 -5.460 -29.873 1.00 13.12 C ATOM 611 NZ LYS A 39 -12.899 -6.250 -31.064 1.00 4.24 N ATOM 0 H LYS A 39 -9.148 -3.927 -31.423 1.00 13.11 H new ATOM 0 HA LYS A 39 -10.789 -1.703 -31.247 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -9.060 -3.244 -29.312 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -9.868 -1.788 -28.767 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -11.264 -3.680 -28.227 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -12.056 -2.757 -29.489 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -11.226 -4.332 -31.201 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -10.349 -5.231 -29.979 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -12.287 -6.135 -29.040 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -13.298 -4.805 -29.568 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -13.748 -6.804 -30.833 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -13.110 -5.605 -31.852 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -12.130 -6.894 -31.340 1.00 4.24 H new ATOM 625 N GLU A 40 -7.595 -0.999 -30.759 1.00 43.23 N ATOM 626 CA GLU A 40 -6.631 0.094 -30.720 1.00 30.23 C ATOM 627 C GLU A 40 -6.346 0.619 -32.125 1.00 71.01 C ATOM 628 O GLU A 40 -5.950 1.771 -32.301 1.00 70.35 O ATOM 629 CB GLU A 40 -5.329 -0.368 -30.063 1.00 33.12 C ATOM 630 CG GLU A 40 -4.607 0.730 -29.301 1.00 71.13 C ATOM 631 CD GLU A 40 -5.481 1.378 -28.245 1.00 51.30 C ATOM 632 OE1 GLU A 40 -6.278 0.658 -27.609 1.00 43.15 O ATOM 633 OE2 GLU A 40 -5.367 2.607 -28.054 1.00 11.55 O ATOM 0 H GLU A 40 -7.182 -1.929 -30.691 1.00 43.23 H new ATOM 0 HA GLU A 40 -7.061 0.902 -30.129 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -5.548 -1.189 -29.380 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -4.664 -0.762 -30.832 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -3.718 0.314 -28.827 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -4.267 1.491 -30.003 1.00 71.13 H new ATOM 640 N GLY A 41 -6.551 -0.236 -33.122 1.00 12.45 N ATOM 641 CA GLY A 41 -6.312 0.159 -34.498 1.00 0.44 C ATOM 642 C GLY A 41 -4.838 0.348 -34.798 1.00 54.13 C ATOM 643 O GLY A 41 -4.267 1.400 -34.508 1.00 32.21 O ATOM 0 H GLY A 41 -6.878 -1.195 -33.002 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -6.722 -0.598 -35.167 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -6.844 1.088 -34.704 1.00 0.44 H new ATOM 647 N LEU A 42 -4.219 -0.674 -35.381 1.00 61.22 N ATOM 648 CA LEU A 42 -2.801 -0.617 -35.719 1.00 32.11 C ATOM 649 C LEU A 42 -2.579 0.177 -37.003 1.00 60.11 C ATOM 650 O LEU A 42 -2.937 -0.273 -38.091 1.00 61.12 O ATOM 651 CB LEU A 42 -2.237 -2.030 -35.875 1.00 31.00 C ATOM 652 CG LEU A 42 -0.763 -2.209 -35.508 1.00 10.43 C ATOM 653 CD1 LEU A 42 0.109 -1.267 -36.323 1.00 61.11 C ATOM 654 CD2 LEU A 42 -0.553 -1.978 -34.019 1.00 25.43 C ATOM 0 H LEU A 42 -4.677 -1.551 -35.629 1.00 61.22 H new ATOM 0 HA LEU A 42 -2.279 -0.112 -34.907 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -2.829 -2.706 -35.258 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -2.373 -2.342 -36.911 1.00 31.00 H new ATOM 0 HG LEU A 42 -0.472 -3.233 -35.742 1.00 10.43 H new ATOM 0 HD11 LEU A 42 1.154 -1.409 -36.048 1.00 61.11 H new ATOM 0 HD12 LEU A 42 -0.019 -1.480 -37.384 1.00 61.11 H new ATOM 0 HD13 LEU A 42 -0.182 -0.236 -36.122 1.00 61.11 H new ATOM 0 HD21 LEU A 42 0.501 -2.109 -33.776 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -0.861 -0.965 -33.761 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -1.148 -2.694 -33.452 1.00 25.43 H new ATOM 666 N ASP A 43 -1.986 1.357 -36.867 1.00 24.10 N ATOM 667 CA ASP A 43 -1.713 2.212 -38.017 1.00 33.24 C ATOM 668 C ASP A 43 -0.222 2.229 -38.339 1.00 21.14 C ATOM 669 O ASP A 43 0.584 1.624 -37.632 1.00 4.53 O ATOM 670 CB ASP A 43 -2.206 3.635 -37.750 1.00 14.14 C ATOM 671 CG ASP A 43 -2.612 4.355 -39.021 1.00 53.01 C ATOM 672 OD1 ASP A 43 -3.551 3.884 -39.695 1.00 4.11 O ATOM 673 OD2 ASP A 43 -1.991 5.390 -39.339 1.00 52.23 O ATOM 0 H ASP A 43 -1.685 1.744 -35.973 1.00 24.10 H new ATOM 0 HA ASP A 43 -2.248 1.806 -38.876 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -3.056 3.600 -37.068 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -1.420 4.201 -37.250 1.00 14.14 H new ATOM 678 N ALA A 44 0.138 2.925 -39.413 1.00 11.33 N ATOM 679 CA ALA A 44 1.531 3.022 -39.828 1.00 41.31 C ATOM 680 C ALA A 44 2.385 3.668 -38.743 1.00 2.35 C ATOM 681 O ALA A 44 3.496 3.218 -38.463 1.00 3.31 O ATOM 682 CB ALA A 44 1.642 3.808 -41.127 1.00 54.41 C ATOM 0 H ALA A 44 -0.516 3.430 -40.011 1.00 11.33 H new ATOM 0 HA ALA A 44 1.905 2.012 -39.994 1.00 41.31 H new ATOM 0 HB1 ALA A 44 2.688 3.872 -41.425 1.00 54.41 H new ATOM 0 HB2 ALA A 44 1.073 3.303 -41.908 1.00 54.41 H new ATOM 0 HB3 ALA A 44 1.244 4.812 -40.980 1.00 54.41 H new ATOM 688 N GLU A 45 1.858 4.727 -38.135 1.00 21.11 N ATOM 689 CA GLU A 45 2.574 5.436 -37.080 1.00 32.33 C ATOM 690 C GLU A 45 3.006 4.475 -35.975 1.00 22.11 C ATOM 691 O GLU A 45 4.170 4.455 -35.572 1.00 3.32 O ATOM 692 CB GLU A 45 1.697 6.544 -36.493 1.00 25.10 C ATOM 693 CG GLU A 45 2.488 7.710 -35.926 1.00 65.44 C ATOM 694 CD GLU A 45 3.072 8.599 -37.007 1.00 54.25 C ATOM 695 OE1 GLU A 45 4.169 8.278 -37.511 1.00 31.22 O ATOM 696 OE2 GLU A 45 2.432 9.616 -37.349 1.00 35.42 O ATOM 0 H GLU A 45 0.939 5.112 -38.354 1.00 21.11 H new ATOM 0 HA GLU A 45 3.466 5.883 -37.519 1.00 32.33 H new ATOM 0 HB2 GLU A 45 1.026 6.914 -37.268 1.00 25.10 H new ATOM 0 HB3 GLU A 45 1.072 6.122 -35.705 1.00 25.10 H new ATOM 0 HG2 GLU A 45 1.840 8.305 -35.282 1.00 65.44 H new ATOM 0 HG3 GLU A 45 3.294 7.327 -35.300 1.00 65.44 H new ATOM 703 N THR A 46 2.059 3.679 -35.488 1.00 73.34 N ATOM 704 CA THR A 46 2.340 2.717 -34.429 1.00 14.20 C ATOM 705 C THR A 46 3.322 1.652 -34.900 1.00 20.44 C ATOM 706 O THR A 46 4.327 1.383 -34.240 1.00 51.10 O ATOM 707 CB THR A 46 1.051 2.030 -33.938 1.00 72.32 C ATOM 708 OG1 THR A 46 -0.079 2.874 -34.187 1.00 61.33 O ATOM 709 CG2 THR A 46 1.138 1.714 -32.453 1.00 1.32 C ATOM 0 H THR A 46 1.091 3.681 -35.810 1.00 73.34 H new ATOM 0 HA THR A 46 2.783 3.275 -33.604 1.00 14.20 H new ATOM 0 HB THR A 46 0.933 1.095 -34.485 1.00 72.32 H new ATOM 0 HG1 THR A 46 -0.894 2.430 -33.874 1.00 61.33 H new ATOM 0 HG21 THR A 46 0.217 1.230 -32.130 1.00 1.32 H new ATOM 0 HG22 THR A 46 1.981 1.048 -32.272 1.00 1.32 H new ATOM 0 HG23 THR A 46 1.278 2.638 -31.892 1.00 1.32 H new ATOM 717 N LEU A 47 3.029 1.047 -36.046 1.00 41.05 N ATOM 718 CA LEU A 47 3.888 0.010 -36.607 1.00 30.54 C ATOM 719 C LEU A 47 5.322 0.510 -36.748 1.00 4.21 C ATOM 720 O LEU A 47 6.272 -0.192 -36.400 1.00 62.44 O ATOM 721 CB LEU A 47 3.355 -0.440 -37.968 1.00 40.43 C ATOM 722 CG LEU A 47 3.567 -1.914 -38.317 1.00 30.21 C ATOM 723 CD1 LEU A 47 5.040 -2.280 -38.213 1.00 72.53 C ATOM 724 CD2 LEU A 47 2.729 -2.803 -37.412 1.00 35.34 C ATOM 0 H LEU A 47 2.202 1.257 -36.605 1.00 41.05 H new ATOM 0 HA LEU A 47 3.885 -0.840 -35.925 1.00 30.54 H new ATOM 0 HB2 LEU A 47 2.286 -0.228 -38.006 1.00 40.43 H new ATOM 0 HB3 LEU A 47 3.828 0.167 -38.740 1.00 40.43 H new ATOM 0 HG LEU A 47 3.246 -2.074 -39.346 1.00 30.21 H new ATOM 0 HD11 LEU A 47 5.172 -3.332 -38.465 1.00 72.53 H new ATOM 0 HD12 LEU A 47 5.617 -1.666 -38.905 1.00 72.53 H new ATOM 0 HD13 LEU A 47 5.388 -2.104 -37.195 1.00 72.53 H new ATOM 0 HD21 LEU A 47 2.893 -3.848 -37.675 1.00 35.34 H new ATOM 0 HD22 LEU A 47 3.018 -2.641 -36.374 1.00 35.34 H new ATOM 0 HD23 LEU A 47 1.674 -2.559 -37.537 1.00 35.34 H new ATOM 736 N ASP A 48 5.471 1.726 -37.260 1.00 1.01 N ATOM 737 CA ASP A 48 6.790 2.321 -37.445 1.00 1.33 C ATOM 738 C ASP A 48 7.489 2.519 -36.105 1.00 4.12 C ATOM 739 O ASP A 48 8.642 2.123 -35.930 1.00 45.52 O ATOM 740 CB ASP A 48 6.670 3.660 -38.175 1.00 15.35 C ATOM 741 CG ASP A 48 7.997 4.132 -38.739 1.00 42.32 C ATOM 742 OD1 ASP A 48 8.938 3.313 -38.807 1.00 12.50 O ATOM 743 OD2 ASP A 48 8.092 5.319 -39.113 1.00 70.50 O ATOM 0 H ASP A 48 4.695 2.319 -37.554 1.00 1.01 H new ATOM 0 HA ASP A 48 7.388 1.639 -38.049 1.00 1.33 H new ATOM 0 HB2 ASP A 48 5.947 3.566 -38.985 1.00 15.35 H new ATOM 0 HB3 ASP A 48 6.282 4.412 -37.488 1.00 15.35 H new ATOM 748 N ARG A 49 6.785 3.134 -35.161 1.00 40.22 N ATOM 749 CA ARG A 49 7.340 3.387 -33.835 1.00 24.55 C ATOM 750 C ARG A 49 7.833 2.092 -33.197 1.00 53.00 C ATOM 751 O ARG A 49 8.872 2.069 -32.536 1.00 73.52 O ATOM 752 CB ARG A 49 6.291 4.044 -32.937 1.00 41.24 C ATOM 753 CG ARG A 49 6.233 5.557 -33.074 1.00 35.00 C ATOM 754 CD ARG A 49 4.849 6.094 -32.746 1.00 53.11 C ATOM 755 NE ARG A 49 4.746 7.529 -32.993 1.00 73.43 N ATOM 756 CZ ARG A 49 3.679 8.255 -32.674 1.00 12.33 C ATOM 757 NH1 ARG A 49 2.632 7.682 -32.097 1.00 1.45 N ATOM 758 NH2 ARG A 49 3.661 9.557 -32.930 1.00 21.11 N ATOM 0 H ARG A 49 5.829 3.467 -35.289 1.00 40.22 H new ATOM 0 HA ARG A 49 8.188 4.063 -33.946 1.00 24.55 H new ATOM 0 HB2 ARG A 49 5.311 3.629 -33.173 1.00 41.24 H new ATOM 0 HB3 ARG A 49 6.503 3.790 -31.899 1.00 41.24 H new ATOM 0 HG2 ARG A 49 6.968 6.012 -32.410 1.00 35.00 H new ATOM 0 HG3 ARG A 49 6.503 5.842 -34.091 1.00 35.00 H new ATOM 0 HD2 ARG A 49 4.105 5.569 -33.345 1.00 53.11 H new ATOM 0 HD3 ARG A 49 4.619 5.889 -31.701 1.00 53.11 H new ATOM 0 HE ARG A 49 5.536 8.000 -33.434 1.00 73.43 H new ATOM 0 HH11 ARG A 49 2.644 6.682 -31.897 1.00 1.45 H new ATOM 0 HH12 ARG A 49 1.815 8.241 -31.853 1.00 1.45 H new ATOM 0 HH21 ARG A 49 4.466 10.001 -33.372 1.00 21.11 H new ATOM 0 HH22 ARG A 49 2.842 10.114 -32.685 1.00 21.11 H new ATOM 772 N PHE A 50 7.081 1.015 -33.398 1.00 52.05 N ATOM 773 CA PHE A 50 7.441 -0.283 -32.840 1.00 23.30 C ATOM 774 C PHE A 50 8.628 -0.886 -33.586 1.00 71.14 C ATOM 775 O PHE A 50 9.489 -1.531 -32.986 1.00 40.10 O ATOM 776 CB PHE A 50 6.246 -1.238 -32.905 1.00 63.44 C ATOM 777 CG PHE A 50 5.238 -1.012 -31.815 1.00 22.12 C ATOM 778 CD1 PHE A 50 5.634 -0.957 -30.488 1.00 32.42 C ATOM 779 CD2 PHE A 50 3.895 -0.856 -32.116 1.00 14.32 C ATOM 780 CE1 PHE A 50 4.709 -0.750 -29.483 1.00 14.22 C ATOM 781 CE2 PHE A 50 2.965 -0.649 -31.115 1.00 41.31 C ATOM 782 CZ PHE A 50 3.372 -0.595 -29.797 1.00 24.45 C ATOM 0 H PHE A 50 6.219 1.015 -33.943 1.00 52.05 H new ATOM 0 HA PHE A 50 7.726 -0.136 -31.798 1.00 23.30 H new ATOM 0 HB2 PHE A 50 5.755 -1.127 -33.872 1.00 63.44 H new ATOM 0 HB3 PHE A 50 6.608 -2.265 -32.847 1.00 63.44 H new ATOM 0 HD1 PHE A 50 6.677 -1.077 -30.237 1.00 32.42 H new ATOM 0 HD2 PHE A 50 3.571 -0.897 -33.145 1.00 14.32 H new ATOM 0 HE1 PHE A 50 5.030 -0.709 -28.453 1.00 14.22 H new ATOM 0 HE2 PHE A 50 1.921 -0.530 -31.364 1.00 41.31 H new ATOM 0 HZ PHE A 50 2.647 -0.432 -29.013 1.00 24.45 H new ATOM 792 N LEU A 51 8.668 -0.669 -34.895 1.00 22.50 N ATOM 793 CA LEU A 51 9.749 -1.190 -35.724 1.00 0.23 C ATOM 794 C LEU A 51 11.081 -0.546 -35.350 1.00 53.31 C ATOM 795 O LEU A 51 12.123 -1.201 -35.355 1.00 22.12 O ATOM 796 CB LEU A 51 9.449 -0.943 -37.204 1.00 24.51 C ATOM 797 CG LEU A 51 10.047 -1.950 -38.187 1.00 22.33 C ATOM 798 CD1 LEU A 51 11.567 -1.927 -38.116 1.00 70.24 C ATOM 799 CD2 LEU A 51 9.520 -3.349 -37.906 1.00 23.22 C ATOM 0 H LEU A 51 7.964 -0.136 -35.406 1.00 22.50 H new ATOM 0 HA LEU A 51 9.822 -2.263 -35.549 1.00 0.23 H new ATOM 0 HB2 LEU A 51 8.367 -0.933 -37.338 1.00 24.51 H new ATOM 0 HB3 LEU A 51 9.812 0.051 -37.467 1.00 24.51 H new ATOM 0 HG LEU A 51 9.746 -1.666 -39.195 1.00 22.33 H new ATOM 0 HD11 LEU A 51 11.975 -2.650 -38.822 1.00 70.24 H new ATOM 0 HD12 LEU A 51 11.928 -0.930 -38.368 1.00 70.24 H new ATOM 0 HD13 LEU A 51 11.888 -2.185 -37.107 1.00 70.24 H new ATOM 0 HD21 LEU A 51 9.957 -4.052 -38.616 1.00 23.22 H new ATOM 0 HD22 LEU A 51 9.790 -3.643 -36.892 1.00 23.22 H new ATOM 0 HD23 LEU A 51 8.435 -3.357 -38.009 1.00 23.22 H new ATOM 811 N LYS A 52 11.038 0.741 -35.024 1.00 72.22 N ATOM 812 CA LYS A 52 12.240 1.474 -34.643 1.00 13.04 C ATOM 813 C LYS A 52 12.780 0.977 -33.306 1.00 1.22 C ATOM 814 O LYS A 52 13.991 0.841 -33.125 1.00 22.51 O ATOM 815 CB LYS A 52 11.942 2.973 -34.559 1.00 14.41 C ATOM 816 CG LYS A 52 11.595 3.600 -35.898 1.00 64.25 C ATOM 817 CD LYS A 52 12.843 3.943 -36.694 1.00 12.02 C ATOM 818 CE LYS A 52 13.368 5.325 -36.339 1.00 32.31 C ATOM 819 NZ LYS A 52 14.553 5.697 -37.162 1.00 13.43 N ATOM 0 H LYS A 52 10.184 1.298 -35.016 1.00 72.22 H new ATOM 0 HA LYS A 52 12.998 1.302 -35.407 1.00 13.04 H new ATOM 0 HB2 LYS A 52 11.115 3.132 -33.867 1.00 14.41 H new ATOM 0 HB3 LYS A 52 12.809 3.485 -34.142 1.00 14.41 H new ATOM 0 HG2 LYS A 52 10.974 2.913 -36.472 1.00 64.25 H new ATOM 0 HG3 LYS A 52 11.006 4.503 -35.736 1.00 64.25 H new ATOM 0 HD2 LYS A 52 13.615 3.199 -36.501 1.00 12.02 H new ATOM 0 HD3 LYS A 52 12.619 3.900 -37.760 1.00 12.02 H new ATOM 0 HE2 LYS A 52 12.578 6.062 -36.485 1.00 32.31 H new ATOM 0 HE3 LYS A 52 13.637 5.351 -35.283 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 14.881 6.646 -36.890 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 15.316 5.008 -37.003 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 14.291 5.697 -38.168 1.00 13.43 H new ATOM 833 N THR A 53 11.875 0.705 -32.371 1.00 24.20 N ATOM 834 CA THR A 53 12.260 0.223 -31.051 1.00 34.52 C ATOM 835 C THR A 53 12.643 -1.252 -31.095 1.00 21.14 C ATOM 836 O THR A 53 13.487 -1.708 -30.323 1.00 72.44 O ATOM 837 CB THR A 53 11.125 0.416 -30.029 1.00 24.53 C ATOM 838 OG1 THR A 53 10.765 1.799 -29.952 1.00 13.12 O ATOM 839 CG2 THR A 53 11.545 -0.080 -28.653 1.00 64.44 C ATOM 0 H THR A 53 10.869 0.811 -32.504 1.00 24.20 H new ATOM 0 HA THR A 53 13.123 0.811 -30.739 1.00 34.52 H new ATOM 0 HB THR A 53 10.265 -0.166 -30.361 1.00 24.53 H new ATOM 0 HG1 THR A 53 10.162 2.022 -30.691 1.00 13.12 H new ATOM 0 HG21 THR A 53 10.727 0.067 -27.948 1.00 64.44 H new ATOM 0 HG22 THR A 53 11.791 -1.141 -28.708 1.00 64.44 H new ATOM 0 HG23 THR A 53 12.419 0.478 -28.316 1.00 64.44 H new ATOM 847 N VAL A 54 12.018 -1.994 -32.004 1.00 5.34 N ATOM 848 CA VAL A 54 12.295 -3.418 -32.150 1.00 43.11 C ATOM 849 C VAL A 54 12.273 -3.835 -33.616 1.00 50.42 C ATOM 850 O VAL A 54 11.367 -3.485 -34.373 1.00 41.32 O ATOM 851 CB VAL A 54 11.277 -4.271 -31.369 1.00 32.21 C ATOM 852 CG1 VAL A 54 11.593 -5.751 -31.520 1.00 15.02 C ATOM 853 CG2 VAL A 54 11.259 -3.868 -29.903 1.00 51.22 C ATOM 0 H VAL A 54 11.317 -1.632 -32.650 1.00 5.34 H new ATOM 0 HA VAL A 54 13.291 -3.590 -31.742 1.00 43.11 H new ATOM 0 HB VAL A 54 10.285 -4.092 -31.784 1.00 32.21 H new ATOM 0 HG11 VAL A 54 10.864 -6.338 -30.962 1.00 15.02 H new ATOM 0 HG12 VAL A 54 11.550 -6.027 -32.574 1.00 15.02 H new ATOM 0 HG13 VAL A 54 12.592 -5.951 -31.133 1.00 15.02 H new ATOM 0 HG21 VAL A 54 10.535 -4.480 -29.366 1.00 51.22 H new ATOM 0 HG22 VAL A 54 12.249 -4.016 -29.473 1.00 51.22 H new ATOM 0 HG23 VAL A 54 10.980 -2.818 -29.818 1.00 51.22 H new ATOM 863 N PRO A 55 13.292 -4.601 -34.030 1.00 2.25 N ATOM 864 CA PRO A 55 13.413 -5.083 -35.409 1.00 2.03 C ATOM 865 C PRO A 55 12.359 -6.132 -35.750 1.00 74.41 C ATOM 866 O PRO A 55 11.951 -6.917 -34.894 1.00 51.24 O ATOM 867 CB PRO A 55 14.813 -5.700 -35.448 1.00 33.24 C ATOM 868 CG PRO A 55 15.099 -6.082 -34.037 1.00 34.23 C ATOM 869 CD PRO A 55 14.407 -5.056 -33.182 1.00 62.25 C ATOM 0 HA PRO A 55 13.265 -4.284 -36.135 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.845 -6.568 -36.107 1.00 33.24 H new ATOM 0 HB3 PRO A 55 15.549 -4.988 -35.822 1.00 33.24 H new ATOM 0 HG2 PRO A 55 14.728 -7.084 -33.821 1.00 34.23 H new ATOM 0 HG3 PRO A 55 16.172 -6.091 -33.845 1.00 34.23 H new ATOM 0 HD2 PRO A 55 14.050 -5.487 -32.246 1.00 62.25 H new ATOM 0 HD3 PRO A 55 15.074 -4.235 -32.921 1.00 62.25 H new ATOM 877 N TRP A 56 11.923 -6.139 -37.004 1.00 2.13 N ATOM 878 CA TRP A 56 10.917 -7.092 -37.458 1.00 72.32 C ATOM 879 C TRP A 56 11.350 -8.524 -37.163 1.00 33.30 C ATOM 880 O TRP A 56 10.516 -9.406 -36.969 1.00 54.31 O ATOM 881 CB TRP A 56 10.661 -6.921 -38.957 1.00 43.12 C ATOM 882 CG TRP A 56 11.913 -6.957 -39.780 1.00 71.25 C ATOM 883 CD1 TRP A 56 12.699 -5.894 -40.122 1.00 71.41 C ATOM 884 CD2 TRP A 56 12.522 -8.113 -40.365 1.00 63.01 C ATOM 885 NE1 TRP A 56 13.759 -6.320 -40.886 1.00 11.50 N ATOM 886 CE2 TRP A 56 13.675 -7.677 -41.048 1.00 54.44 C ATOM 887 CE3 TRP A 56 12.207 -9.475 -40.376 1.00 64.22 C ATOM 888 CZ2 TRP A 56 14.508 -8.555 -41.735 1.00 2.44 C ATOM 889 CZ3 TRP A 56 13.036 -10.344 -41.059 1.00 44.31 C ATOM 890 CH2 TRP A 56 14.176 -9.883 -41.729 1.00 14.15 C ATOM 0 H TRP A 56 12.250 -5.496 -37.725 1.00 2.13 H new ATOM 0 HA TRP A 56 9.993 -6.893 -36.914 1.00 72.32 H new ATOM 0 HB2 TRP A 56 9.989 -7.709 -39.296 1.00 43.12 H new ATOM 0 HB3 TRP A 56 10.151 -5.973 -39.126 1.00 43.12 H new ATOM 0 HD1 TRP A 56 12.515 -4.869 -39.834 1.00 71.41 H new ATOM 0 HE1 TRP A 56 14.490 -5.722 -41.270 1.00 11.50 H new ATOM 0 HE3 TRP A 56 11.332 -9.841 -39.860 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 15.386 -8.201 -42.255 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 12.801 -11.398 -41.076 1.00 44.31 H new ATOM 0 HH2 TRP A 56 14.805 -10.589 -42.251 1.00 14.15 H new ATOM 901 N GLU A 57 12.661 -8.746 -37.132 1.00 24.51 N ATOM 902 CA GLU A 57 13.204 -10.072 -36.861 1.00 64.15 C ATOM 903 C GLU A 57 12.673 -10.617 -35.538 1.00 74.11 C ATOM 904 O GLU A 57 12.494 -11.824 -35.380 1.00 43.02 O ATOM 905 CB GLU A 57 14.733 -10.025 -36.830 1.00 44.32 C ATOM 906 CG GLU A 57 15.294 -9.259 -35.643 1.00 74.32 C ATOM 907 CD GLU A 57 16.654 -8.651 -35.931 1.00 2.22 C ATOM 908 OE1 GLU A 57 17.207 -8.925 -37.017 1.00 35.22 O ATOM 909 OE2 GLU A 57 17.163 -7.904 -35.071 1.00 73.32 O ATOM 0 H GLU A 57 13.365 -8.026 -37.291 1.00 24.51 H new ATOM 0 HA GLU A 57 12.885 -10.738 -37.663 1.00 64.15 H new ATOM 0 HB2 GLU A 57 15.119 -11.044 -36.810 1.00 44.32 H new ATOM 0 HB3 GLU A 57 15.093 -9.566 -37.751 1.00 44.32 H new ATOM 0 HG2 GLU A 57 14.598 -8.468 -35.364 1.00 74.32 H new ATOM 0 HG3 GLU A 57 15.374 -9.930 -34.787 1.00 74.32 H new ATOM 916 N GLN A 58 12.428 -9.718 -34.591 1.00 73.33 N ATOM 917 CA GLN A 58 11.919 -10.109 -33.281 1.00 13.45 C ATOM 918 C GLN A 58 10.599 -9.408 -32.978 1.00 24.32 C ATOM 919 O GLN A 58 10.268 -9.158 -31.818 1.00 52.14 O ATOM 920 CB GLN A 58 12.945 -9.781 -32.194 1.00 52.31 C ATOM 921 CG GLN A 58 14.149 -10.710 -32.194 1.00 2.22 C ATOM 922 CD GLN A 58 14.823 -10.793 -30.839 1.00 73.04 C ATOM 923 OE1 GLN A 58 15.194 -9.776 -30.254 1.00 12.51 O ATOM 924 NE2 GLN A 58 14.982 -12.010 -30.331 1.00 11.14 N ATOM 0 H GLN A 58 12.573 -8.715 -34.705 1.00 73.33 H new ATOM 0 HA GLN A 58 11.743 -11.185 -33.294 1.00 13.45 H new ATOM 0 HB2 GLN A 58 13.288 -8.755 -32.327 1.00 52.31 H new ATOM 0 HB3 GLN A 58 12.458 -9.830 -31.220 1.00 52.31 H new ATOM 0 HG2 GLN A 58 13.833 -11.707 -32.500 1.00 2.22 H new ATOM 0 HG3 GLN A 58 14.871 -10.363 -32.934 1.00 2.22 H new ATOM 0 HE21 GLN A 58 14.659 -12.826 -30.851 1.00 11.14 H new ATOM 0 HE22 GLN A 58 15.427 -12.129 -29.421 1.00 11.14 H new ATOM 933 N LEU A 59 9.847 -9.094 -34.027 1.00 41.15 N ATOM 934 CA LEU A 59 8.562 -8.422 -33.873 1.00 23.12 C ATOM 935 C LEU A 59 7.436 -9.256 -34.476 1.00 51.11 C ATOM 936 O LEU A 59 6.348 -9.352 -33.908 1.00 4.12 O ATOM 937 CB LEU A 59 8.603 -7.044 -34.536 1.00 20.44 C ATOM 938 CG LEU A 59 7.556 -6.037 -34.055 1.00 33.41 C ATOM 939 CD1 LEU A 59 8.024 -5.347 -32.784 1.00 5.54 C ATOM 940 CD2 LEU A 59 7.262 -5.014 -35.143 1.00 61.44 C ATOM 0 H LEU A 59 10.105 -9.294 -34.993 1.00 41.15 H new ATOM 0 HA LEU A 59 8.368 -8.300 -32.807 1.00 23.12 H new ATOM 0 HB2 LEU A 59 9.592 -6.615 -34.375 1.00 20.44 H new ATOM 0 HB3 LEU A 59 8.484 -7.176 -35.611 1.00 20.44 H new ATOM 0 HG LEU A 59 6.635 -6.576 -33.833 1.00 33.41 H new ATOM 0 HD11 LEU A 59 7.267 -4.635 -32.457 1.00 5.54 H new ATOM 0 HD12 LEU A 59 8.183 -6.091 -32.004 1.00 5.54 H new ATOM 0 HD13 LEU A 59 8.958 -4.820 -32.979 1.00 5.54 H new ATOM 0 HD21 LEU A 59 6.515 -4.306 -34.784 1.00 61.44 H new ATOM 0 HD22 LEU A 59 8.177 -4.479 -35.397 1.00 61.44 H new ATOM 0 HD23 LEU A 59 6.882 -5.524 -36.029 1.00 61.44 H new ATOM 952 N LEU A 60 7.704 -9.857 -35.630 1.00 55.45 N ATOM 953 CA LEU A 60 6.714 -10.685 -36.310 1.00 62.31 C ATOM 954 C LEU A 60 6.959 -12.164 -36.032 1.00 44.10 C ATOM 955 O LEU A 60 8.102 -12.599 -35.892 1.00 61.30 O ATOM 956 CB LEU A 60 6.751 -10.424 -37.817 1.00 44.32 C ATOM 957 CG LEU A 60 7.842 -11.157 -38.598 1.00 11.04 C ATOM 958 CD1 LEU A 60 7.244 -12.297 -39.408 1.00 41.24 C ATOM 959 CD2 LEU A 60 8.589 -10.190 -39.506 1.00 71.44 C ATOM 0 H LEU A 60 8.599 -9.786 -36.115 1.00 55.45 H new ATOM 0 HA LEU A 60 5.729 -10.420 -35.926 1.00 62.31 H new ATOM 0 HB2 LEU A 60 5.784 -10.700 -38.237 1.00 44.32 H new ATOM 0 HB3 LEU A 60 6.875 -9.353 -37.977 1.00 44.32 H new ATOM 0 HG LEU A 60 8.552 -11.578 -37.886 1.00 11.04 H new ATOM 0 HD11 LEU A 60 8.035 -12.807 -39.957 1.00 41.24 H new ATOM 0 HD12 LEU A 60 6.755 -13.003 -38.737 1.00 41.24 H new ATOM 0 HD13 LEU A 60 6.513 -11.899 -40.111 1.00 41.24 H new ATOM 0 HD21 LEU A 60 9.362 -10.729 -40.054 1.00 71.44 H new ATOM 0 HD22 LEU A 60 7.890 -9.740 -40.212 1.00 71.44 H new ATOM 0 HD23 LEU A 60 9.050 -9.408 -38.903 1.00 71.44 H new ATOM 971 N ASN A 61 5.878 -12.934 -35.956 1.00 14.22 N ATOM 972 CA ASN A 61 5.976 -14.366 -35.697 1.00 33.24 C ATOM 973 C ASN A 61 6.647 -15.085 -36.864 1.00 54.15 C ATOM 974 O ASN A 61 6.455 -14.722 -38.024 1.00 1.23 O ATOM 975 CB ASN A 61 4.587 -14.956 -35.450 1.00 52.35 C ATOM 976 CG ASN A 61 3.884 -15.340 -36.738 1.00 2.34 C ATOM 977 OD1 ASN A 61 3.459 -16.482 -36.911 1.00 42.20 O ATOM 978 ND2 ASN A 61 3.758 -14.383 -37.652 1.00 71.33 N ATOM 0 H ASN A 61 4.924 -12.590 -36.070 1.00 14.22 H new ATOM 0 HA ASN A 61 6.588 -14.508 -34.806 1.00 33.24 H new ATOM 0 HB2 ASN A 61 4.677 -15.835 -34.812 1.00 52.35 H new ATOM 0 HB3 ASN A 61 3.978 -14.231 -34.909 1.00 52.35 H new ATOM 0 HD21 ASN A 61 3.294 -14.582 -38.538 1.00 71.33 H new ATOM 0 HD22 ASN A 61 4.125 -13.450 -37.467 1.00 71.33 H new ATOM 985 N ARG A 62 7.434 -16.109 -36.547 1.00 14.43 N ATOM 986 CA ARG A 62 8.134 -16.879 -37.568 1.00 62.32 C ATOM 987 C ARG A 62 7.745 -18.353 -37.498 1.00 71.20 C ATOM 988 O ARG A 62 7.489 -18.986 -38.521 1.00 73.11 O ATOM 989 CB ARG A 62 9.647 -16.730 -37.400 1.00 1.22 C ATOM 990 CG ARG A 62 10.188 -15.399 -37.896 1.00 71.45 C ATOM 991 CD ARG A 62 10.776 -14.579 -36.759 1.00 72.42 C ATOM 992 NE ARG A 62 11.962 -13.837 -37.175 1.00 15.00 N ATOM 993 CZ ARG A 62 13.154 -14.395 -37.353 1.00 45.11 C ATOM 994 NH1 ARG A 62 13.317 -15.696 -37.149 1.00 32.15 N ATOM 995 NH2 ARG A 62 14.187 -13.654 -37.733 1.00 4.03 N ATOM 0 H ARG A 62 7.602 -16.424 -35.592 1.00 14.43 H new ATOM 0 HA ARG A 62 7.844 -16.491 -38.544 1.00 62.32 H new ATOM 0 HB2 ARG A 62 9.900 -16.845 -36.346 1.00 1.22 H new ATOM 0 HB3 ARG A 62 10.145 -17.537 -37.937 1.00 1.22 H new ATOM 0 HG2 ARG A 62 10.953 -15.575 -38.653 1.00 71.45 H new ATOM 0 HG3 ARG A 62 9.388 -14.836 -38.376 1.00 71.45 H new ATOM 0 HD2 ARG A 62 10.024 -13.882 -36.388 1.00 72.42 H new ATOM 0 HD3 ARG A 62 11.034 -15.240 -35.931 1.00 72.42 H new ATOM 0 HE ARG A 62 11.870 -12.834 -37.338 1.00 15.00 H new ATOM 0 HH11 ARG A 62 12.526 -16.269 -36.855 1.00 32.15 H new ATOM 0 HH12 ARG A 62 14.233 -16.123 -37.286 1.00 32.15 H new ATOM 0 HH21 ARG A 62 14.067 -12.653 -37.889 1.00 4.03 H new ATOM 0 HH22 ARG A 62 15.101 -14.085 -37.869 1.00 4.03 H new ATOM 1009 N ALA A 63 7.704 -18.892 -36.284 1.00 13.41 N ATOM 1010 CA ALA A 63 7.346 -20.290 -36.082 1.00 11.25 C ATOM 1011 C ALA A 63 5.833 -20.480 -36.118 1.00 40.23 C ATOM 1012 O ALA A 63 5.342 -21.580 -36.365 1.00 15.22 O ATOM 1013 CB ALA A 63 7.911 -20.794 -34.762 1.00 4.01 C ATOM 0 H ALA A 63 7.914 -18.382 -35.426 1.00 13.41 H new ATOM 0 HA ALA A 63 7.779 -20.871 -36.896 1.00 11.25 H new ATOM 0 HB1 ALA A 63 7.636 -21.840 -34.624 1.00 4.01 H new ATOM 0 HB2 ALA A 63 8.997 -20.703 -34.773 1.00 4.01 H new ATOM 0 HB3 ALA A 63 7.505 -20.201 -33.942 1.00 4.01 H new ATOM 1019 N GLY A 64 5.099 -19.399 -35.870 1.00 15.42 N ATOM 1020 CA GLY A 64 3.650 -19.469 -35.878 1.00 64.14 C ATOM 1021 C GLY A 64 3.105 -20.045 -37.169 1.00 10.02 C ATOM 1022 O GLY A 64 3.860 -20.333 -38.098 1.00 62.15 O ATOM 0 H GLY A 64 5.482 -18.477 -35.664 1.00 15.42 H new ATOM 0 HA2 GLY A 64 3.314 -20.081 -35.041 1.00 64.14 H new ATOM 0 HA3 GLY A 64 3.240 -18.470 -35.728 1.00 64.14 H new ATOM 1026 N THR A 65 1.788 -20.216 -37.230 1.00 32.42 N ATOM 1027 CA THR A 65 1.142 -20.764 -38.415 1.00 14.14 C ATOM 1028 C THR A 65 0.964 -19.696 -39.488 1.00 2.22 C ATOM 1029 O THR A 65 1.072 -19.975 -40.683 1.00 74.54 O ATOM 1030 CB THR A 65 -0.233 -21.370 -38.077 1.00 43.52 C ATOM 1031 OG1 THR A 65 -1.022 -20.420 -37.353 1.00 71.44 O ATOM 1032 CG2 THR A 65 -0.077 -22.640 -37.255 1.00 24.43 C ATOM 0 H THR A 65 1.148 -19.982 -36.471 1.00 32.42 H new ATOM 0 HA THR A 65 1.794 -21.551 -38.794 1.00 14.14 H new ATOM 0 HB THR A 65 -0.735 -21.621 -39.011 1.00 43.52 H new ATOM 0 HG1 THR A 65 -1.895 -20.812 -37.143 1.00 71.44 H new ATOM 0 HG21 THR A 65 -1.061 -23.050 -37.028 1.00 24.43 H new ATOM 0 HG22 THR A 65 0.499 -23.372 -37.822 1.00 24.43 H new ATOM 0 HG23 THR A 65 0.443 -22.410 -36.325 1.00 24.43 H new ATOM 1040 N THR A 66 0.690 -18.469 -39.055 1.00 75.01 N ATOM 1041 CA THR A 66 0.496 -17.358 -39.979 1.00 24.34 C ATOM 1042 C THR A 66 1.671 -17.231 -40.940 1.00 70.12 C ATOM 1043 O THR A 66 1.486 -17.084 -42.149 1.00 31.44 O ATOM 1044 CB THR A 66 0.318 -16.027 -39.225 1.00 53.23 C ATOM 1045 OG1 THR A 66 1.499 -15.725 -38.475 1.00 11.42 O ATOM 1046 CG2 THR A 66 -0.880 -16.090 -38.289 1.00 2.54 C ATOM 0 H THR A 66 0.597 -18.220 -38.070 1.00 75.01 H new ATOM 0 HA THR A 66 -0.411 -17.571 -40.545 1.00 24.34 H new ATOM 0 HB THR A 66 0.144 -15.241 -39.960 1.00 53.23 H new ATOM 0 HG1 THR A 66 1.799 -16.528 -38.000 1.00 11.42 H new ATOM 0 HG21 THR A 66 -0.985 -15.138 -37.768 1.00 2.54 H new ATOM 0 HG22 THR A 66 -1.783 -16.289 -38.866 1.00 2.54 H new ATOM 0 HG23 THR A 66 -0.732 -16.888 -37.561 1.00 2.54 H new ATOM 1054 N PHE A 67 2.884 -17.290 -40.398 1.00 31.33 N ATOM 1055 CA PHE A 67 4.090 -17.181 -41.209 1.00 51.22 C ATOM 1056 C PHE A 67 4.325 -18.458 -42.009 1.00 2.20 C ATOM 1057 O PHE A 67 4.809 -18.415 -43.140 1.00 62.22 O ATOM 1058 CB PHE A 67 5.302 -16.892 -40.321 1.00 14.00 C ATOM 1059 CG PHE A 67 6.586 -16.743 -41.087 1.00 64.31 C ATOM 1060 CD1 PHE A 67 6.975 -15.509 -41.580 1.00 15.52 C ATOM 1061 CD2 PHE A 67 7.401 -17.840 -41.316 1.00 12.13 C ATOM 1062 CE1 PHE A 67 8.156 -15.368 -42.285 1.00 33.54 C ATOM 1063 CE2 PHE A 67 8.583 -17.706 -42.021 1.00 72.43 C ATOM 1064 CZ PHE A 67 8.960 -16.470 -42.507 1.00 75.02 C ATOM 0 H PHE A 67 3.057 -17.413 -39.400 1.00 31.33 H new ATOM 0 HA PHE A 67 3.954 -16.356 -41.908 1.00 51.22 H new ATOM 0 HB2 PHE A 67 5.118 -15.979 -39.755 1.00 14.00 H new ATOM 0 HB3 PHE A 67 5.412 -17.699 -39.597 1.00 14.00 H new ATOM 0 HD1 PHE A 67 6.348 -14.646 -41.412 1.00 15.52 H new ATOM 0 HD2 PHE A 67 7.110 -18.810 -40.940 1.00 12.13 H new ATOM 0 HE1 PHE A 67 8.449 -14.399 -42.661 1.00 33.54 H new ATOM 0 HE2 PHE A 67 9.211 -18.568 -42.191 1.00 72.43 H new ATOM 0 HZ PHE A 67 9.882 -16.364 -43.060 1.00 75.02 H new ATOM 1074 N ARG A 68 3.977 -19.595 -41.413 1.00 35.20 N ATOM 1075 CA ARG A 68 4.151 -20.885 -42.069 1.00 13.24 C ATOM 1076 C ARG A 68 3.281 -20.981 -43.319 1.00 42.44 C ATOM 1077 O ARG A 68 3.518 -21.819 -44.190 1.00 51.04 O ATOM 1078 CB ARG A 68 3.806 -22.021 -41.106 1.00 65.20 C ATOM 1079 CG ARG A 68 4.969 -22.450 -40.226 1.00 50.00 C ATOM 1080 CD ARG A 68 4.672 -23.756 -39.507 1.00 44.21 C ATOM 1081 NE ARG A 68 3.913 -23.545 -38.278 1.00 1.04 N ATOM 1082 CZ ARG A 68 3.656 -24.506 -37.398 1.00 43.45 C ATOM 1083 NH1 ARG A 68 4.096 -25.739 -37.610 1.00 73.52 N ATOM 1084 NH2 ARG A 68 2.957 -24.236 -36.303 1.00 33.20 N ATOM 0 H ARG A 68 3.573 -19.648 -40.478 1.00 35.20 H new ATOM 0 HA ARG A 68 5.196 -20.975 -42.367 1.00 13.24 H new ATOM 0 HB2 ARG A 68 2.977 -21.708 -40.471 1.00 65.20 H new ATOM 0 HB3 ARG A 68 3.460 -22.880 -41.681 1.00 65.20 H new ATOM 0 HG2 ARG A 68 5.865 -22.565 -40.836 1.00 50.00 H new ATOM 0 HG3 ARG A 68 5.180 -21.670 -39.494 1.00 50.00 H new ATOM 0 HD2 ARG A 68 4.112 -24.415 -40.170 1.00 44.21 H new ATOM 0 HD3 ARG A 68 5.609 -24.261 -39.272 1.00 44.21 H new ATOM 0 HE ARG A 68 3.561 -22.608 -38.084 1.00 1.04 H new ATOM 0 HH11 ARG A 68 4.633 -25.951 -38.451 1.00 73.52 H new ATOM 0 HH12 ARG A 68 3.897 -26.475 -36.932 1.00 73.52 H new ATOM 0 HH21 ARG A 68 2.616 -23.289 -36.136 1.00 33.20 H new ATOM 0 HH22 ARG A 68 2.760 -24.975 -35.628 1.00 33.20 H new ATOM 1098 N LYS A 69 2.275 -20.118 -43.401 1.00 73.43 N ATOM 1099 CA LYS A 69 1.369 -20.104 -44.544 1.00 73.42 C ATOM 1100 C LYS A 69 2.127 -19.811 -45.835 1.00 41.12 C ATOM 1101 O LYS A 69 2.021 -20.555 -46.811 1.00 52.53 O ATOM 1102 CB LYS A 69 0.271 -19.059 -44.338 1.00 31.13 C ATOM 1103 CG LYS A 69 -0.738 -19.439 -43.267 1.00 71.24 C ATOM 1104 CD LYS A 69 -1.966 -20.100 -43.867 1.00 50.32 C ATOM 1105 CE LYS A 69 -2.627 -21.050 -42.881 1.00 72.15 C ATOM 1106 NZ LYS A 69 -1.897 -22.343 -42.780 1.00 71.33 N ATOM 0 H LYS A 69 2.066 -19.418 -42.689 1.00 73.43 H new ATOM 0 HA LYS A 69 0.913 -21.091 -44.626 1.00 73.42 H new ATOM 0 HB2 LYS A 69 0.732 -18.108 -44.070 1.00 31.13 H new ATOM 0 HB3 LYS A 69 -0.253 -18.905 -45.281 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -0.272 -20.116 -42.551 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -1.037 -18.548 -42.715 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -2.680 -19.335 -44.171 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -1.683 -20.647 -44.766 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -2.671 -20.580 -41.898 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -3.655 -21.237 -43.191 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -2.399 -22.975 -42.124 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -1.847 -22.788 -43.719 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -0.934 -22.171 -42.427 1.00 71.33 H new ATOM 1120 N LEU A 70 2.893 -18.726 -45.833 1.00 1.50 N ATOM 1121 CA LEU A 70 3.671 -18.336 -47.004 1.00 30.25 C ATOM 1122 C LEU A 70 4.692 -19.412 -47.362 1.00 52.51 C ATOM 1123 O LEU A 70 5.109 -20.210 -46.523 1.00 53.44 O ATOM 1124 CB LEU A 70 4.381 -17.006 -46.750 1.00 30.13 C ATOM 1125 CG LEU A 70 3.495 -15.761 -46.749 1.00 75.04 C ATOM 1126 CD1 LEU A 70 4.201 -14.603 -46.060 1.00 23.34 C ATOM 1127 CD2 LEU A 70 3.108 -15.381 -48.171 1.00 52.00 C ATOM 0 H LEU A 70 2.992 -18.100 -45.034 1.00 1.50 H new ATOM 0 HA LEU A 70 2.985 -18.219 -47.843 1.00 30.25 H new ATOM 0 HB2 LEU A 70 4.889 -17.066 -45.787 1.00 30.13 H new ATOM 0 HB3 LEU A 70 5.152 -16.878 -47.510 1.00 30.13 H new ATOM 0 HG LEU A 70 2.585 -15.987 -46.193 1.00 75.04 H new ATOM 0 HD11 LEU A 70 3.555 -13.725 -46.069 1.00 23.34 H new ATOM 0 HD12 LEU A 70 4.427 -14.876 -45.029 1.00 23.34 H new ATOM 0 HD13 LEU A 70 5.128 -14.376 -46.587 1.00 23.34 H new ATOM 0 HD21 LEU A 70 2.477 -14.492 -48.151 1.00 52.00 H new ATOM 0 HD22 LEU A 70 4.008 -15.174 -48.750 1.00 52.00 H new ATOM 0 HD23 LEU A 70 2.561 -16.204 -48.632 1.00 52.00 H new ATOM 1139 N PRO A 71 5.108 -19.431 -48.637 1.00 40.12 N ATOM 1140 CA PRO A 71 6.088 -20.402 -49.134 1.00 21.41 C ATOM 1141 C PRO A 71 7.486 -20.151 -48.580 1.00 4.43 C ATOM 1142 O PRO A 71 7.701 -19.208 -47.818 1.00 61.04 O ATOM 1143 CB PRO A 71 6.066 -20.182 -50.650 1.00 10.33 C ATOM 1144 CG PRO A 71 5.609 -18.775 -50.822 1.00 64.15 C ATOM 1145 CD PRO A 71 4.655 -18.509 -49.691 1.00 72.42 C ATOM 0 HA PRO A 71 5.842 -21.420 -48.833 1.00 21.41 H new ATOM 0 HB2 PRO A 71 7.053 -20.334 -51.086 1.00 10.33 H new ATOM 0 HB3 PRO A 71 5.389 -20.881 -51.142 1.00 10.33 H new ATOM 0 HG2 PRO A 71 6.452 -18.084 -50.792 1.00 64.15 H new ATOM 0 HG3 PRO A 71 5.119 -18.639 -51.786 1.00 64.15 H new ATOM 0 HD2 PRO A 71 4.701 -17.471 -49.363 1.00 72.42 H new ATOM 0 HD3 PRO A 71 3.623 -18.707 -49.981 1.00 72.42 H new ATOM 1153 N GLU A 72 8.433 -20.999 -48.967 1.00 64.42 N ATOM 1154 CA GLU A 72 9.810 -20.867 -48.506 1.00 2.33 C ATOM 1155 C GLU A 72 10.485 -19.658 -49.147 1.00 32.21 C ATOM 1156 O GLU A 72 11.355 -19.028 -48.545 1.00 64.11 O ATOM 1157 CB GLU A 72 10.603 -22.136 -48.828 1.00 3.30 C ATOM 1158 CG GLU A 72 11.804 -22.350 -47.922 1.00 14.02 C ATOM 1159 CD GLU A 72 12.359 -23.759 -48.012 1.00 23.34 C ATOM 1160 OE1 GLU A 72 13.126 -24.034 -48.958 1.00 2.14 O ATOM 1161 OE2 GLU A 72 12.026 -24.586 -47.137 1.00 4.25 O ATOM 0 H GLU A 72 8.272 -21.784 -49.598 1.00 64.42 H new ATOM 0 HA GLU A 72 9.792 -20.722 -47.426 1.00 2.33 H new ATOM 0 HB2 GLU A 72 9.941 -22.998 -48.749 1.00 3.30 H new ATOM 0 HB3 GLU A 72 10.943 -22.089 -49.863 1.00 3.30 H new ATOM 0 HG2 GLU A 72 12.586 -21.638 -48.187 1.00 14.02 H new ATOM 0 HG3 GLU A 72 11.519 -22.141 -46.891 1.00 14.02 H new ATOM 1168 N ASP A 73 10.078 -19.340 -50.371 1.00 54.44 N ATOM 1169 CA ASP A 73 10.642 -18.206 -51.094 1.00 22.54 C ATOM 1170 C ASP A 73 10.194 -16.888 -50.470 1.00 73.43 C ATOM 1171 O ASP A 73 11.016 -16.023 -50.166 1.00 20.35 O ATOM 1172 CB ASP A 73 10.227 -18.255 -52.566 1.00 11.40 C ATOM 1173 CG ASP A 73 11.106 -19.179 -53.385 1.00 35.22 C ATOM 1174 OD1 ASP A 73 12.033 -19.783 -52.805 1.00 64.21 O ATOM 1175 OD2 ASP A 73 10.868 -19.299 -54.605 1.00 60.34 O ATOM 0 H ASP A 73 9.360 -19.852 -50.883 1.00 54.44 H new ATOM 0 HA ASP A 73 11.728 -18.268 -51.029 1.00 22.54 H new ATOM 0 HB2 ASP A 73 9.191 -18.586 -52.637 1.00 11.40 H new ATOM 0 HB3 ASP A 73 10.270 -17.250 -52.986 1.00 11.40 H new ATOM 1180 N VAL A 74 8.887 -16.741 -50.284 1.00 22.21 N ATOM 1181 CA VAL A 74 8.330 -15.528 -49.696 1.00 51.24 C ATOM 1182 C VAL A 74 8.749 -15.381 -48.238 1.00 71.30 C ATOM 1183 O VAL A 74 9.068 -14.284 -47.779 1.00 64.14 O ATOM 1184 CB VAL A 74 6.793 -15.517 -49.782 1.00 4.32 C ATOM 1185 CG1 VAL A 74 6.226 -14.297 -49.073 1.00 2.42 C ATOM 1186 CG2 VAL A 74 6.340 -15.558 -51.234 1.00 20.32 C ATOM 0 H VAL A 74 8.193 -17.447 -50.532 1.00 22.21 H new ATOM 0 HA VAL A 74 8.724 -14.689 -50.270 1.00 51.24 H new ATOM 0 HB VAL A 74 6.413 -16.407 -49.281 1.00 4.32 H new ATOM 0 HG11 VAL A 74 5.138 -14.307 -49.145 1.00 2.42 H new ATOM 0 HG12 VAL A 74 6.521 -14.316 -48.024 1.00 2.42 H new ATOM 0 HG13 VAL A 74 6.612 -13.392 -49.542 1.00 2.42 H new ATOM 0 HG21 VAL A 74 5.251 -15.550 -51.276 1.00 20.32 H new ATOM 0 HG22 VAL A 74 6.730 -14.688 -51.762 1.00 20.32 H new ATOM 0 HG23 VAL A 74 6.714 -16.466 -51.706 1.00 20.32 H new ATOM 1196 N ARG A 75 8.745 -16.495 -47.512 1.00 32.22 N ATOM 1197 CA ARG A 75 9.124 -16.491 -46.104 1.00 2.22 C ATOM 1198 C ARG A 75 10.560 -16.007 -45.929 1.00 43.01 C ATOM 1199 O ARG A 75 10.910 -15.434 -44.897 1.00 52.32 O ATOM 1200 CB ARG A 75 8.970 -17.892 -45.509 1.00 70.20 C ATOM 1201 CG ARG A 75 7.550 -18.218 -45.077 1.00 33.21 C ATOM 1202 CD ARG A 75 7.455 -19.615 -44.484 1.00 64.25 C ATOM 1203 NE ARG A 75 7.794 -20.647 -45.458 1.00 60.01 N ATOM 1204 CZ ARG A 75 7.493 -21.932 -45.302 1.00 52.41 C ATOM 1205 NH1 ARG A 75 6.852 -22.340 -44.216 1.00 43.22 N ATOM 1206 NH2 ARG A 75 7.835 -22.813 -46.234 1.00 22.23 N ATOM 0 H ARG A 75 8.484 -17.411 -47.876 1.00 32.22 H new ATOM 0 HA ARG A 75 8.461 -15.805 -45.577 1.00 2.22 H new ATOM 0 HB2 ARG A 75 9.295 -18.628 -46.245 1.00 70.20 H new ATOM 0 HB3 ARG A 75 9.633 -17.987 -44.649 1.00 70.20 H new ATOM 0 HG2 ARG A 75 7.215 -17.486 -44.342 1.00 33.21 H new ATOM 0 HG3 ARG A 75 6.881 -18.139 -45.934 1.00 33.21 H new ATOM 0 HD2 ARG A 75 8.124 -19.691 -43.627 1.00 64.25 H new ATOM 0 HD3 ARG A 75 6.444 -19.784 -44.114 1.00 64.25 H new ATOM 0 HE ARG A 75 8.289 -20.367 -46.305 1.00 60.01 H new ATOM 0 HH11 ARG A 75 6.588 -21.667 -43.497 1.00 43.22 H new ATOM 0 HH12 ARG A 75 6.623 -23.327 -44.100 1.00 43.22 H new ATOM 0 HH21 ARG A 75 8.329 -22.504 -47.071 1.00 22.23 H new ATOM 0 HH22 ARG A 75 7.603 -23.799 -46.113 1.00 22.23 H new ATOM 1220 N SER A 76 11.387 -16.242 -46.943 1.00 13.42 N ATOM 1221 CA SER A 76 12.786 -15.834 -46.899 1.00 72.25 C ATOM 1222 C SER A 76 12.986 -14.500 -47.613 1.00 24.11 C ATOM 1223 O SER A 76 13.994 -13.824 -47.416 1.00 72.30 O ATOM 1224 CB SER A 76 13.672 -16.905 -47.538 1.00 52.34 C ATOM 1225 OG SER A 76 14.199 -17.783 -46.558 1.00 11.12 O ATOM 0 H SER A 76 11.112 -16.713 -47.805 1.00 13.42 H new ATOM 0 HA SER A 76 13.071 -15.713 -45.854 1.00 72.25 H new ATOM 0 HB2 SER A 76 13.093 -17.473 -48.266 1.00 52.34 H new ATOM 0 HB3 SER A 76 14.489 -16.429 -48.081 1.00 52.34 H new ATOM 0 HG SER A 76 14.760 -18.459 -46.992 1.00 11.12 H new ATOM 1231 N ASN A 77 12.016 -14.129 -48.443 1.00 61.11 N ATOM 1232 CA ASN A 77 12.084 -12.878 -49.188 1.00 63.22 C ATOM 1233 C ASN A 77 11.387 -11.754 -48.427 1.00 4.51 C ATOM 1234 O ASN A 77 10.657 -10.954 -49.012 1.00 30.21 O ATOM 1235 CB ASN A 77 11.446 -13.046 -50.568 1.00 34.15 C ATOM 1236 CG ASN A 77 12.356 -13.772 -51.541 1.00 2.31 C ATOM 1237 OD1 ASN A 77 13.579 -13.745 -51.402 1.00 62.33 O ATOM 1238 ND2 ASN A 77 11.761 -14.424 -52.533 1.00 63.33 N ATOM 0 H ASN A 77 11.174 -14.678 -48.616 1.00 61.11 H new ATOM 0 HA ASN A 77 13.134 -12.614 -49.311 1.00 63.22 H new ATOM 0 HB2 ASN A 77 10.511 -13.598 -50.468 1.00 34.15 H new ATOM 0 HB3 ASN A 77 11.196 -12.065 -50.972 1.00 34.15 H new ATOM 0 HD21 ASN A 77 12.321 -14.930 -53.219 1.00 63.33 H new ATOM 0 HD22 ASN A 77 10.744 -14.419 -52.609 1.00 63.33 H new ATOM 1245 N VAL A 78 11.619 -11.700 -47.120 1.00 54.35 N ATOM 1246 CA VAL A 78 11.015 -10.673 -46.278 1.00 25.14 C ATOM 1247 C VAL A 78 11.965 -9.497 -46.079 1.00 53.34 C ATOM 1248 O VAL A 78 13.136 -9.681 -45.746 1.00 13.31 O ATOM 1249 CB VAL A 78 10.620 -11.237 -44.901 1.00 24.53 C ATOM 1250 CG1 VAL A 78 11.848 -11.733 -44.153 1.00 61.22 C ATOM 1251 CG2 VAL A 78 9.878 -10.186 -44.088 1.00 61.01 C ATOM 0 H VAL A 78 12.221 -12.355 -46.620 1.00 54.35 H new ATOM 0 HA VAL A 78 10.118 -10.329 -46.793 1.00 25.14 H new ATOM 0 HB VAL A 78 9.952 -12.084 -45.054 1.00 24.53 H new ATOM 0 HG11 VAL A 78 11.548 -12.128 -43.182 1.00 61.22 H new ATOM 0 HG12 VAL A 78 12.333 -12.520 -44.731 1.00 61.22 H new ATOM 0 HG13 VAL A 78 12.545 -10.907 -44.009 1.00 61.22 H new ATOM 0 HG21 VAL A 78 9.606 -10.602 -43.118 1.00 61.01 H new ATOM 0 HG22 VAL A 78 10.520 -9.317 -43.944 1.00 61.01 H new ATOM 0 HG23 VAL A 78 8.975 -9.885 -44.620 1.00 61.01 H new ATOM 1261 N ASP A 79 11.453 -8.288 -46.285 1.00 75.02 N ATOM 1262 CA ASP A 79 12.255 -7.081 -46.127 1.00 32.13 C ATOM 1263 C ASP A 79 11.661 -6.170 -45.058 1.00 22.35 C ATOM 1264 O ASP A 79 10.621 -6.477 -44.475 1.00 11.20 O ATOM 1265 CB ASP A 79 12.355 -6.331 -47.456 1.00 14.11 C ATOM 1266 CG ASP A 79 12.510 -7.267 -48.639 1.00 70.21 C ATOM 1267 OD1 ASP A 79 13.500 -8.028 -48.666 1.00 63.45 O ATOM 1268 OD2 ASP A 79 11.643 -7.237 -49.538 1.00 12.03 O ATOM 0 H ASP A 79 10.486 -8.118 -46.562 1.00 75.02 H new ATOM 0 HA ASP A 79 13.255 -7.378 -45.811 1.00 32.13 H new ATOM 0 HB2 ASP A 79 11.462 -5.721 -47.594 1.00 14.11 H new ATOM 0 HB3 ASP A 79 13.205 -5.649 -47.422 1.00 14.11 H new ATOM 1273 N ALA A 80 12.328 -5.049 -44.805 1.00 44.44 N ATOM 1274 CA ALA A 80 11.865 -4.093 -43.806 1.00 1.03 C ATOM 1275 C ALA A 80 10.533 -3.475 -44.215 1.00 60.14 C ATOM 1276 O ALA A 80 9.536 -3.599 -43.503 1.00 3.35 O ATOM 1277 CB ALA A 80 12.909 -3.007 -43.592 1.00 43.13 C ATOM 0 H ALA A 80 13.191 -4.780 -45.278 1.00 44.44 H new ATOM 0 HA ALA A 80 11.715 -4.628 -42.868 1.00 1.03 H new ATOM 0 HB1 ALA A 80 12.551 -2.300 -42.844 1.00 43.13 H new ATOM 0 HB2 ALA A 80 13.839 -3.459 -43.248 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.086 -2.483 -44.531 1.00 43.13 H new ATOM 1283 N ALA A 81 10.522 -2.809 -45.364 1.00 21.32 N ATOM 1284 CA ALA A 81 9.311 -2.173 -45.867 1.00 55.31 C ATOM 1285 C ALA A 81 8.143 -3.154 -45.890 1.00 31.04 C ATOM 1286 O ALA A 81 7.103 -2.911 -45.278 1.00 33.41 O ATOM 1287 CB ALA A 81 9.551 -1.605 -47.259 1.00 13.35 C ATOM 0 H ALA A 81 11.339 -2.696 -45.965 1.00 21.32 H new ATOM 0 HA ALA A 81 9.053 -1.357 -45.192 1.00 55.31 H new ATOM 0 HB1 ALA A 81 8.638 -1.133 -47.622 1.00 13.35 H new ATOM 0 HB2 ALA A 81 10.350 -0.865 -47.217 1.00 13.35 H new ATOM 0 HB3 ALA A 81 9.837 -2.410 -47.936 1.00 13.35 H new ATOM 1293 N SER A 82 8.323 -4.265 -46.598 1.00 54.12 N ATOM 1294 CA SER A 82 7.282 -5.281 -46.703 1.00 14.13 C ATOM 1295 C SER A 82 6.811 -5.721 -45.320 1.00 30.51 C ATOM 1296 O SER A 82 5.613 -5.755 -45.043 1.00 1.33 O ATOM 1297 CB SER A 82 7.798 -6.490 -47.486 1.00 73.02 C ATOM 1298 OG SER A 82 9.089 -6.241 -48.016 1.00 11.21 O ATOM 0 H SER A 82 9.179 -4.484 -47.107 1.00 54.12 H new ATOM 0 HA SER A 82 6.436 -4.846 -47.235 1.00 14.13 H new ATOM 0 HB2 SER A 82 7.831 -7.363 -46.834 1.00 73.02 H new ATOM 0 HB3 SER A 82 7.108 -6.724 -48.296 1.00 73.02 H new ATOM 0 HG SER A 82 9.433 -7.057 -48.436 1.00 11.21 H new ATOM 1304 N ALA A 83 7.763 -6.055 -44.456 1.00 34.11 N ATOM 1305 CA ALA A 83 7.447 -6.490 -43.101 1.00 62.10 C ATOM 1306 C ALA A 83 6.519 -5.498 -42.409 1.00 53.55 C ATOM 1307 O ALA A 83 5.490 -5.881 -41.850 1.00 1.10 O ATOM 1308 CB ALA A 83 8.723 -6.674 -42.294 1.00 14.31 C ATOM 0 H ALA A 83 8.760 -6.033 -44.670 1.00 34.11 H new ATOM 0 HA ALA A 83 6.930 -7.448 -43.165 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.471 -6.999 -41.284 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.350 -7.427 -42.772 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.263 -5.728 -42.247 1.00 14.31 H new ATOM 1314 N ARG A 84 6.889 -4.222 -42.448 1.00 14.24 N ATOM 1315 CA ARG A 84 6.091 -3.175 -41.822 1.00 42.23 C ATOM 1316 C ARG A 84 4.685 -3.136 -42.414 1.00 55.53 C ATOM 1317 O ARG A 84 3.700 -3.001 -41.690 1.00 43.13 O ATOM 1318 CB ARG A 84 6.768 -1.815 -41.997 1.00 72.41 C ATOM 1319 CG ARG A 84 7.928 -1.585 -41.042 1.00 43.35 C ATOM 1320 CD ARG A 84 8.985 -0.682 -41.659 1.00 30.14 C ATOM 1321 NE ARG A 84 8.473 0.660 -41.924 1.00 24.42 N ATOM 1322 CZ ARG A 84 9.232 1.669 -42.334 1.00 23.24 C ATOM 1323 NH1 ARG A 84 10.532 1.489 -42.527 1.00 30.24 N ATOM 1324 NH2 ARG A 84 8.692 2.861 -42.554 1.00 14.35 N ATOM 0 H ARG A 84 7.737 -3.888 -42.907 1.00 14.24 H new ATOM 0 HA ARG A 84 6.012 -3.399 -40.758 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.129 -1.728 -43.022 1.00 72.41 H new ATOM 0 HB3 ARG A 84 6.027 -1.029 -41.852 1.00 72.41 H new ATOM 0 HG2 ARG A 84 7.558 -1.137 -40.120 1.00 43.35 H new ATOM 0 HG3 ARG A 84 8.376 -2.542 -40.775 1.00 43.35 H new ATOM 0 HD2 ARG A 84 9.842 -0.617 -40.989 1.00 30.14 H new ATOM 0 HD3 ARG A 84 9.341 -1.124 -42.589 1.00 30.14 H new ATOM 0 HE ARG A 84 7.477 0.831 -41.786 1.00 24.42 H new ATOM 0 HH11 ARG A 84 10.950 0.574 -42.360 1.00 30.24 H new ATOM 0 HH12 ARG A 84 11.113 2.266 -42.842 1.00 30.24 H new ATOM 0 HH21 ARG A 84 7.693 3.003 -42.408 1.00 14.35 H new ATOM 0 HH22 ARG A 84 9.276 3.635 -42.869 1.00 14.35 H new ATOM 1338 N GLU A 85 4.602 -3.255 -43.736 1.00 51.11 N ATOM 1339 CA GLU A 85 3.316 -3.231 -44.425 1.00 55.12 C ATOM 1340 C GLU A 85 2.453 -4.417 -44.007 1.00 1.33 C ATOM 1341 O GLU A 85 1.274 -4.261 -43.689 1.00 32.23 O ATOM 1342 CB GLU A 85 3.525 -3.246 -45.940 1.00 75.34 C ATOM 1343 CG GLU A 85 4.309 -2.052 -46.459 1.00 45.21 C ATOM 1344 CD GLU A 85 3.675 -1.427 -47.687 1.00 21.03 C ATOM 1345 OE1 GLU A 85 3.025 -2.162 -48.459 1.00 3.32 O ATOM 1346 OE2 GLU A 85 3.830 -0.201 -47.875 1.00 42.31 O ATOM 0 H GLU A 85 5.408 -3.369 -44.350 1.00 51.11 H new ATOM 0 HA GLU A 85 2.799 -2.313 -44.146 1.00 55.12 H new ATOM 0 HB2 GLU A 85 4.048 -4.161 -46.217 1.00 75.34 H new ATOM 0 HB3 GLU A 85 2.553 -3.273 -46.432 1.00 75.34 H new ATOM 0 HG2 GLU A 85 4.384 -1.302 -45.672 1.00 45.21 H new ATOM 0 HG3 GLU A 85 5.325 -2.366 -46.699 1.00 45.21 H new ATOM 1353 N LEU A 86 3.050 -5.605 -44.011 1.00 22.40 N ATOM 1354 CA LEU A 86 2.335 -6.820 -43.634 1.00 21.33 C ATOM 1355 C LEU A 86 1.751 -6.695 -42.230 1.00 20.32 C ATOM 1356 O LEU A 86 0.556 -6.898 -42.025 1.00 2.34 O ATOM 1357 CB LEU A 86 3.273 -8.027 -43.702 1.00 74.11 C ATOM 1358 CG LEU A 86 3.793 -8.395 -45.092 1.00 10.31 C ATOM 1359 CD1 LEU A 86 5.077 -9.202 -44.986 1.00 65.15 C ATOM 1360 CD2 LEU A 86 2.737 -9.171 -45.869 1.00 0.22 C ATOM 0 H LEU A 86 4.025 -5.752 -44.271 1.00 22.40 H new ATOM 0 HA LEU A 86 1.515 -6.963 -44.337 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.129 -7.834 -43.055 1.00 74.11 H new ATOM 0 HB3 LEU A 86 2.751 -8.891 -43.291 1.00 74.11 H new ATOM 0 HG LEU A 86 4.010 -7.474 -45.632 1.00 10.31 H new ATOM 0 HD11 LEU A 86 5.432 -9.454 -45.985 1.00 65.15 H new ATOM 0 HD12 LEU A 86 5.835 -8.613 -44.470 1.00 65.15 H new ATOM 0 HD13 LEU A 86 4.886 -10.118 -44.427 1.00 65.15 H new ATOM 0 HD21 LEU A 86 3.124 -9.424 -46.856 1.00 0.22 H new ATOM 0 HD22 LEU A 86 2.488 -10.086 -45.331 1.00 0.22 H new ATOM 0 HD23 LEU A 86 1.842 -8.559 -45.977 1.00 0.22 H new ATOM 1372 N MET A 87 2.604 -6.356 -41.268 1.00 55.22 N ATOM 1373 CA MET A 87 2.171 -6.201 -39.884 1.00 3.41 C ATOM 1374 C MET A 87 1.164 -5.061 -39.755 1.00 3.31 C ATOM 1375 O MET A 87 0.262 -5.109 -38.917 1.00 33.02 O ATOM 1376 CB MET A 87 3.375 -5.938 -38.977 1.00 13.51 C ATOM 1377 CG MET A 87 4.427 -7.034 -39.032 1.00 72.40 C ATOM 1378 SD MET A 87 3.785 -8.640 -38.521 1.00 23.01 S ATOM 1379 CE MET A 87 3.465 -9.399 -40.111 1.00 34.44 C ATOM 0 H MET A 87 3.598 -6.184 -41.421 1.00 55.22 H new ATOM 0 HA MET A 87 1.687 -7.127 -39.574 1.00 3.41 H new ATOM 0 HB2 MET A 87 3.834 -4.991 -39.261 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.029 -5.829 -37.949 1.00 13.51 H new ATOM 0 HG2 MET A 87 4.815 -7.109 -40.048 1.00 72.40 H new ATOM 0 HG3 MET A 87 5.264 -6.761 -38.390 1.00 72.40 H new ATOM 0 HE1 MET A 87 3.704 -10.461 -40.062 1.00 34.44 H new ATOM 0 HE2 MET A 87 2.413 -9.276 -40.368 1.00 34.44 H new ATOM 0 HE3 MET A 87 4.083 -8.923 -40.872 1.00 34.44 H new ATOM 1389 N LEU A 88 1.325 -4.039 -40.588 1.00 0.04 N ATOM 1390 CA LEU A 88 0.429 -2.887 -40.566 1.00 32.32 C ATOM 1391 C LEU A 88 -1.003 -3.304 -40.883 1.00 31.41 C ATOM 1392 O LEU A 88 -1.926 -3.018 -40.121 1.00 51.04 O ATOM 1393 CB LEU A 88 0.899 -1.833 -41.570 1.00 71.42 C ATOM 1394 CG LEU A 88 0.066 -0.553 -41.638 1.00 15.31 C ATOM 1395 CD1 LEU A 88 0.931 0.626 -42.058 1.00 0.02 C ATOM 1396 CD2 LEU A 88 -1.103 -0.728 -42.596 1.00 33.15 C ATOM 0 H LEU A 88 2.066 -3.984 -41.286 1.00 0.04 H new ATOM 0 HA LEU A 88 0.450 -2.461 -39.563 1.00 32.32 H new ATOM 0 HB2 LEU A 88 1.926 -1.562 -41.327 1.00 71.42 H new ATOM 0 HB3 LEU A 88 0.914 -2.286 -42.561 1.00 71.42 H new ATOM 0 HG LEU A 88 -0.332 -0.348 -40.644 1.00 15.31 H new ATOM 0 HD11 LEU A 88 0.321 1.528 -42.101 1.00 0.02 H new ATOM 0 HD12 LEU A 88 1.733 0.765 -41.333 1.00 0.02 H new ATOM 0 HD13 LEU A 88 1.360 0.431 -43.041 1.00 0.02 H new ATOM 0 HD21 LEU A 88 -1.685 0.193 -42.632 1.00 33.15 H new ATOM 0 HD22 LEU A 88 -0.726 -0.958 -43.592 1.00 33.15 H new ATOM 0 HD23 LEU A 88 -1.737 -1.545 -42.251 1.00 33.15 H new ATOM 1408 N ALA A 89 -1.180 -3.985 -42.010 1.00 5.24 N ATOM 1409 CA ALA A 89 -2.499 -4.447 -42.425 1.00 72.31 C ATOM 1410 C ALA A 89 -2.969 -5.613 -41.562 1.00 53.31 C ATOM 1411 O ALA A 89 -4.099 -5.618 -41.074 1.00 61.11 O ATOM 1412 CB ALA A 89 -2.481 -4.847 -43.893 1.00 53.34 C ATOM 0 H ALA A 89 -0.426 -4.229 -42.652 1.00 5.24 H new ATOM 0 HA ALA A 89 -3.203 -3.625 -42.293 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -3.472 -5.190 -44.189 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -2.198 -3.988 -44.501 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -1.760 -5.650 -44.042 1.00 53.34 H new ATOM 1418 N GLN A 90 -2.096 -6.598 -41.380 1.00 12.11 N ATOM 1419 CA GLN A 90 -2.425 -7.770 -40.577 1.00 12.45 C ATOM 1420 C GLN A 90 -1.430 -7.943 -39.434 1.00 41.24 C ATOM 1421 O GLN A 90 -0.510 -8.759 -39.497 1.00 10.03 O ATOM 1422 CB GLN A 90 -2.438 -9.025 -41.451 1.00 3.41 C ATOM 1423 CG GLN A 90 -1.221 -9.153 -42.353 1.00 23.53 C ATOM 1424 CD GLN A 90 -1.341 -10.300 -43.336 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -1.037 -10.153 -44.520 1.00 50.25 O ATOM 1426 NE2 GLN A 90 -1.785 -11.453 -42.849 1.00 33.14 N ATOM 0 H GLN A 90 -1.157 -6.608 -41.777 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.417 -7.621 -40.152 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -2.498 -9.904 -40.809 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -3.337 -9.019 -42.067 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -1.081 -8.222 -42.902 1.00 23.53 H new ATOM 0 HG3 GLN A 90 -0.332 -9.297 -41.739 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -2.025 -11.530 -41.861 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -1.885 -12.261 -43.463 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.616 -7.157 -38.363 1.00 51.14 N ATOM 1436 CA PRO A 91 -0.744 -7.205 -37.185 1.00 32.24 C ATOM 1437 C PRO A 91 -0.914 -8.495 -36.391 1.00 54.10 C ATOM 1438 O PRO A 91 -0.162 -8.762 -35.453 1.00 35.34 O ATOM 1439 CB PRO A 91 -1.201 -6.002 -36.356 1.00 71.34 C ATOM 1440 CG PRO A 91 -2.615 -5.774 -36.768 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.691 -6.162 -38.219 1.00 34.13 C ATOM 0 HA PRO A 91 0.311 -7.176 -37.457 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -1.128 -6.206 -35.288 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -0.584 -5.126 -36.556 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -3.298 -6.374 -36.167 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -2.899 -4.731 -36.627 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.664 -6.583 -38.472 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.535 -5.304 -38.873 1.00 34.13 H new ATOM 1449 N SER A 92 -1.907 -9.294 -36.772 1.00 20.51 N ATOM 1450 CA SER A 92 -2.177 -10.555 -36.092 1.00 11.34 C ATOM 1451 C SER A 92 -0.956 -11.468 -36.136 1.00 43.02 C ATOM 1452 O SER A 92 -0.825 -12.388 -35.328 1.00 60.53 O ATOM 1453 CB SER A 92 -3.376 -11.256 -36.732 1.00 1.20 C ATOM 1454 OG SER A 92 -3.369 -11.097 -38.140 1.00 33.02 O ATOM 0 H SER A 92 -2.537 -9.090 -37.548 1.00 20.51 H new ATOM 0 HA SER A 92 -2.407 -10.336 -35.049 1.00 11.34 H new ATOM 0 HB2 SER A 92 -3.356 -12.317 -36.483 1.00 1.20 H new ATOM 0 HB3 SER A 92 -4.300 -10.849 -36.322 1.00 1.20 H new ATOM 0 HG SER A 92 -4.145 -11.556 -38.525 1.00 33.02 H new ATOM 1460 N MET A 93 -0.063 -11.207 -37.085 1.00 64.00 N ATOM 1461 CA MET A 93 1.149 -12.004 -37.234 1.00 11.03 C ATOM 1462 C MET A 93 2.212 -11.572 -36.230 1.00 22.03 C ATOM 1463 O MET A 93 3.150 -12.316 -35.945 1.00 62.52 O ATOM 1464 CB MET A 93 1.695 -11.880 -38.658 1.00 21.24 C ATOM 1465 CG MET A 93 1.022 -12.814 -39.651 1.00 71.33 C ATOM 1466 SD MET A 93 1.001 -12.149 -41.327 1.00 63.23 S ATOM 1467 CE MET A 93 2.489 -12.884 -42.002 1.00 50.03 C ATOM 0 H MET A 93 -0.156 -10.450 -37.762 1.00 64.00 H new ATOM 0 HA MET A 93 0.894 -13.046 -37.040 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.571 -10.852 -38.998 1.00 21.24 H new ATOM 0 HB3 MET A 93 2.765 -12.085 -38.647 1.00 21.24 H new ATOM 0 HG2 MET A 93 1.541 -13.773 -39.651 1.00 71.33 H new ATOM 0 HG3 MET A 93 -0.001 -13.006 -39.328 1.00 71.33 H new ATOM 0 HE1 MET A 93 2.615 -12.566 -43.037 1.00 50.03 H new ATOM 0 HE2 MET A 93 3.351 -12.563 -41.417 1.00 50.03 H new ATOM 0 HE3 MET A 93 2.408 -13.970 -41.963 1.00 50.03 H new ATOM 1477 N VAL A 94 2.058 -10.364 -35.697 1.00 52.44 N ATOM 1478 CA VAL A 94 3.005 -9.832 -34.724 1.00 10.35 C ATOM 1479 C VAL A 94 3.049 -10.699 -33.470 1.00 43.41 C ATOM 1480 O VAL A 94 2.027 -11.228 -33.030 1.00 40.44 O ATOM 1481 CB VAL A 94 2.648 -8.389 -34.323 1.00 33.42 C ATOM 1482 CG1 VAL A 94 3.648 -7.852 -33.312 1.00 75.05 C ATOM 1483 CG2 VAL A 94 2.588 -7.495 -35.553 1.00 35.21 C ATOM 0 H VAL A 94 1.287 -9.736 -35.922 1.00 52.44 H new ATOM 0 HA VAL A 94 3.985 -9.837 -35.202 1.00 10.35 H new ATOM 0 HB VAL A 94 1.663 -8.393 -33.856 1.00 33.42 H new ATOM 0 HG11 VAL A 94 3.379 -6.831 -33.041 1.00 75.05 H new ATOM 0 HG12 VAL A 94 3.637 -8.479 -32.421 1.00 75.05 H new ATOM 0 HG13 VAL A 94 4.647 -7.860 -33.749 1.00 75.05 H new ATOM 0 HG21 VAL A 94 2.334 -6.479 -35.252 1.00 35.21 H new ATOM 0 HG22 VAL A 94 3.558 -7.495 -36.050 1.00 35.21 H new ATOM 0 HG23 VAL A 94 1.829 -7.870 -36.239 1.00 35.21 H new ATOM 1493 N LYS A 95 4.240 -10.842 -32.897 1.00 21.24 N ATOM 1494 CA LYS A 95 4.419 -11.643 -31.692 1.00 1.24 C ATOM 1495 C LYS A 95 3.420 -11.236 -30.614 1.00 13.35 C ATOM 1496 O LYS A 95 2.834 -10.155 -30.675 1.00 52.22 O ATOM 1497 CB LYS A 95 5.846 -11.493 -31.162 1.00 62.41 C ATOM 1498 CG LYS A 95 6.271 -10.049 -30.958 1.00 12.43 C ATOM 1499 CD LYS A 95 6.336 -9.691 -29.483 1.00 23.31 C ATOM 1500 CE LYS A 95 6.831 -8.267 -29.276 1.00 33.13 C ATOM 1501 NZ LYS A 95 8.242 -8.100 -29.722 1.00 64.41 N ATOM 0 H LYS A 95 5.096 -10.413 -33.249 1.00 21.24 H new ATOM 0 HA LYS A 95 4.242 -12.687 -31.951 1.00 1.24 H new ATOM 0 HB2 LYS A 95 5.930 -12.025 -30.214 1.00 62.41 H new ATOM 0 HB3 LYS A 95 6.535 -11.971 -31.858 1.00 62.41 H new ATOM 0 HG2 LYS A 95 7.247 -9.888 -31.416 1.00 12.43 H new ATOM 0 HG3 LYS A 95 5.568 -9.387 -31.464 1.00 12.43 H new ATOM 0 HD2 LYS A 95 5.348 -9.802 -29.037 1.00 23.31 H new ATOM 0 HD3 LYS A 95 6.999 -10.386 -28.968 1.00 23.31 H new ATOM 0 HE2 LYS A 95 6.192 -7.577 -29.827 1.00 33.13 H new ATOM 0 HE3 LYS A 95 6.750 -8.004 -28.221 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 8.836 -7.845 -28.907 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 8.584 -8.992 -30.134 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 8.293 -7.346 -30.437 1.00 64.41 H new ATOM 1515 N ARG A 96 3.232 -12.107 -29.629 1.00 23.43 N ATOM 1516 CA ARG A 96 2.303 -11.836 -28.537 1.00 52.42 C ATOM 1517 C ARG A 96 2.374 -12.934 -27.479 1.00 73.24 C ATOM 1518 O ARG A 96 2.767 -14.068 -27.751 1.00 25.00 O ATOM 1519 CB ARG A 96 0.875 -11.719 -29.072 1.00 2.41 C ATOM 1520 CG ARG A 96 0.164 -13.056 -29.208 1.00 32.35 C ATOM 1521 CD ARG A 96 -1.166 -12.909 -29.929 1.00 1.31 C ATOM 1522 NE ARG A 96 -1.426 -14.025 -30.835 1.00 4.33 N ATOM 1523 CZ ARG A 96 -0.909 -14.116 -32.054 1.00 22.53 C ATOM 1524 NH1 ARG A 96 -0.110 -13.164 -32.513 1.00 21.10 N ATOM 1525 NH2 ARG A 96 -1.191 -15.164 -32.819 1.00 31.42 N ATOM 0 H ARG A 96 3.710 -13.006 -29.564 1.00 23.43 H new ATOM 0 HA ARG A 96 2.589 -10.891 -28.075 1.00 52.42 H new ATOM 0 HB2 ARG A 96 0.298 -11.076 -28.407 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.900 -11.230 -30.046 1.00 2.41 H new ATOM 0 HG2 ARG A 96 0.800 -13.753 -29.754 1.00 32.35 H new ATOM 0 HG3 ARG A 96 -0.002 -13.483 -28.219 1.00 32.35 H new ATOM 0 HD2 ARG A 96 -1.970 -12.843 -29.196 1.00 1.31 H new ATOM 0 HD3 ARG A 96 -1.171 -11.976 -30.493 1.00 1.31 H new ATOM 0 HE ARG A 96 -2.038 -14.775 -30.513 1.00 4.33 H new ATOM 0 HH11 ARG A 96 0.110 -12.357 -31.929 1.00 21.10 H new ATOM 0 HH12 ARG A 96 0.285 -13.238 -33.450 1.00 21.10 H new ATOM 0 HH21 ARG A 96 -1.805 -15.900 -32.470 1.00 31.42 H new ATOM 0 HH22 ARG A 96 -0.793 -15.233 -33.756 1.00 31.42 H new ATOM 1539 N PRO A 97 1.986 -12.590 -26.242 1.00 5.45 N ATOM 1540 CA PRO A 97 1.516 -11.242 -25.906 1.00 55.21 C ATOM 1541 C PRO A 97 2.639 -10.211 -25.946 1.00 1.12 C ATOM 1542 O PRO A 97 3.810 -10.547 -25.768 1.00 11.34 O ATOM 1543 CB PRO A 97 0.983 -11.398 -24.480 1.00 63.23 C ATOM 1544 CG PRO A 97 1.730 -12.560 -23.921 1.00 53.40 C ATOM 1545 CD PRO A 97 1.974 -13.490 -25.077 1.00 14.11 C ATOM 0 HA PRO A 97 0.772 -10.880 -26.616 1.00 55.21 H new ATOM 0 HB2 PRO A 97 1.156 -10.497 -23.892 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.092 -11.580 -24.477 1.00 63.23 H new ATOM 0 HG2 PRO A 97 2.670 -12.240 -23.472 1.00 53.40 H new ATOM 0 HG3 PRO A 97 1.155 -13.054 -23.138 1.00 53.40 H new ATOM 0 HD2 PRO A 97 2.919 -14.023 -24.971 1.00 14.11 H new ATOM 0 HD3 PRO A 97 1.190 -14.243 -25.159 1.00 14.11 H new ATOM 1553 N VAL A 98 2.273 -8.954 -26.179 1.00 75.11 N ATOM 1554 CA VAL A 98 3.250 -7.873 -26.241 1.00 22.51 C ATOM 1555 C VAL A 98 3.040 -6.878 -25.105 1.00 20.24 C ATOM 1556 O VAL A 98 1.940 -6.356 -24.918 1.00 74.34 O ATOM 1557 CB VAL A 98 3.175 -7.126 -27.585 1.00 62.21 C ATOM 1558 CG1 VAL A 98 4.178 -5.983 -27.616 1.00 65.22 C ATOM 1559 CG2 VAL A 98 3.410 -8.085 -28.741 1.00 73.13 C ATOM 0 H VAL A 98 1.308 -8.660 -26.328 1.00 75.11 H new ATOM 0 HA VAL A 98 4.235 -8.329 -26.143 1.00 22.51 H new ATOM 0 HB VAL A 98 2.176 -6.704 -27.692 1.00 62.21 H new ATOM 0 HG11 VAL A 98 4.111 -5.466 -28.573 1.00 65.22 H new ATOM 0 HG12 VAL A 98 3.958 -5.283 -26.810 1.00 65.22 H new ATOM 0 HG13 VAL A 98 5.185 -6.379 -27.487 1.00 65.22 H new ATOM 0 HG21 VAL A 98 3.353 -7.540 -29.683 1.00 73.13 H new ATOM 0 HG22 VAL A 98 4.396 -8.538 -28.643 1.00 73.13 H new ATOM 0 HG23 VAL A 98 2.649 -8.865 -28.727 1.00 73.13 H new ATOM 1569 N LEU A 99 4.102 -6.618 -24.350 1.00 44.10 N ATOM 1570 CA LEU A 99 4.034 -5.684 -23.232 1.00 22.24 C ATOM 1571 C LEU A 99 4.863 -4.436 -23.515 1.00 30.44 C ATOM 1572 O LEU A 99 6.076 -4.516 -23.709 1.00 63.23 O ATOM 1573 CB LEU A 99 4.527 -6.357 -21.949 1.00 31.22 C ATOM 1574 CG LEU A 99 3.447 -6.963 -21.052 1.00 2.12 C ATOM 1575 CD1 LEU A 99 3.163 -8.402 -21.456 1.00 64.20 C ATOM 1576 CD2 LEU A 99 3.865 -6.890 -19.591 1.00 2.44 C ATOM 0 H LEU A 99 5.019 -7.041 -24.492 1.00 44.10 H new ATOM 0 HA LEU A 99 2.994 -5.386 -23.102 1.00 22.24 H new ATOM 0 HB2 LEU A 99 5.229 -7.145 -22.222 1.00 31.22 H new ATOM 0 HB3 LEU A 99 5.084 -5.622 -21.368 1.00 31.22 H new ATOM 0 HG LEU A 99 2.531 -6.385 -21.177 1.00 2.12 H new ATOM 0 HD11 LEU A 99 2.392 -8.817 -20.807 1.00 64.20 H new ATOM 0 HD12 LEU A 99 2.819 -8.429 -22.490 1.00 64.20 H new ATOM 0 HD13 LEU A 99 4.074 -8.993 -21.361 1.00 64.20 H new ATOM 0 HD21 LEU A 99 3.085 -7.326 -18.967 1.00 2.44 H new ATOM 0 HD22 LEU A 99 4.793 -7.443 -19.450 1.00 2.44 H new ATOM 0 HD23 LEU A 99 4.017 -5.848 -19.308 1.00 2.44 H new ATOM 1588 N GLU A 100 4.201 -3.283 -23.534 1.00 64.22 N ATOM 1589 CA GLU A 100 4.878 -2.018 -23.791 1.00 43.31 C ATOM 1590 C GLU A 100 5.105 -1.247 -22.494 1.00 30.33 C ATOM 1591 O GLU A 100 4.153 -0.816 -21.842 1.00 5.33 O ATOM 1592 CB GLU A 100 4.062 -1.166 -24.767 1.00 12.53 C ATOM 1593 CG GLU A 100 4.912 -0.268 -25.649 1.00 51.33 C ATOM 1594 CD GLU A 100 4.111 0.852 -26.285 1.00 23.35 C ATOM 1595 OE1 GLU A 100 3.136 1.314 -25.657 1.00 3.32 O ATOM 1596 OE2 GLU A 100 4.458 1.264 -27.411 1.00 13.23 O ATOM 0 H GLU A 100 3.197 -3.199 -23.374 1.00 64.22 H new ATOM 0 HA GLU A 100 5.848 -2.240 -24.236 1.00 43.31 H new ATOM 0 HB2 GLU A 100 3.466 -1.824 -25.400 1.00 12.53 H new ATOM 0 HB3 GLU A 100 3.363 -0.549 -24.201 1.00 12.53 H new ATOM 0 HG2 GLU A 100 5.719 0.160 -25.055 1.00 51.33 H new ATOM 0 HG3 GLU A 100 5.376 -0.868 -26.432 1.00 51.33 H new ATOM 1603 N ARG A 101 6.370 -1.080 -22.125 1.00 4.25 N ATOM 1604 CA ARG A 101 6.723 -0.363 -20.905 1.00 32.41 C ATOM 1605 C ARG A 101 7.632 0.822 -21.214 1.00 74.21 C ATOM 1606 O ARG A 101 8.787 0.647 -21.604 1.00 12.55 O ATOM 1607 CB ARG A 101 7.414 -1.306 -19.918 1.00 44.21 C ATOM 1608 CG ARG A 101 6.449 -2.173 -19.127 1.00 1.21 C ATOM 1609 CD ARG A 101 5.833 -1.407 -17.966 1.00 54.35 C ATOM 1610 NE ARG A 101 6.848 -0.882 -17.057 1.00 52.24 N ATOM 1611 CZ ARG A 101 6.631 0.122 -16.214 1.00 25.22 C ATOM 1612 NH1 ARG A 101 5.442 0.706 -16.166 1.00 24.34 N ATOM 1613 NH2 ARG A 101 7.606 0.542 -15.418 1.00 11.44 N ATOM 0 H ARG A 101 7.169 -1.431 -22.653 1.00 4.25 H new ATOM 0 HA ARG A 101 5.804 0.014 -20.456 1.00 32.41 H new ATOM 0 HB2 ARG A 101 8.103 -1.950 -20.465 1.00 44.21 H new ATOM 0 HB3 ARG A 101 8.012 -0.716 -19.223 1.00 44.21 H new ATOM 0 HG2 ARG A 101 5.659 -2.534 -19.786 1.00 1.21 H new ATOM 0 HG3 ARG A 101 6.974 -3.050 -18.748 1.00 1.21 H new ATOM 0 HD2 ARG A 101 5.232 -0.584 -18.353 1.00 54.35 H new ATOM 0 HD3 ARG A 101 5.158 -2.063 -17.416 1.00 54.35 H new ATOM 0 HE ARG A 101 7.774 -1.309 -17.070 1.00 52.24 H new ATOM 0 HH11 ARG A 101 4.691 0.385 -16.777 1.00 24.34 H new ATOM 0 HH12 ARG A 101 5.278 1.476 -15.518 1.00 24.34 H new ATOM 0 HH21 ARG A 101 8.522 0.094 -15.453 1.00 11.44 H new ATOM 0 HH22 ARG A 101 7.440 1.313 -14.771 1.00 11.44 H new ATOM 1627 N ASP A 102 7.103 2.028 -21.038 1.00 73.03 N ATOM 1628 CA ASP A 102 7.865 3.243 -21.298 1.00 63.23 C ATOM 1629 C ASP A 102 8.426 3.241 -22.717 1.00 24.24 C ATOM 1630 O ASP A 102 9.509 3.767 -22.968 1.00 10.42 O ATOM 1631 CB ASP A 102 9.005 3.381 -20.287 1.00 41.13 C ATOM 1632 CG ASP A 102 8.570 3.042 -18.875 1.00 72.41 C ATOM 1633 OD1 ASP A 102 8.078 3.950 -18.172 1.00 51.21 O ATOM 1634 OD2 ASP A 102 8.723 1.870 -18.471 1.00 22.03 O ATOM 0 H ASP A 102 6.149 2.190 -20.716 1.00 73.03 H new ATOM 0 HA ASP A 102 7.191 4.093 -21.194 1.00 63.23 H new ATOM 0 HB2 ASP A 102 9.826 2.726 -20.578 1.00 41.13 H new ATOM 0 HB3 ASP A 102 9.387 4.402 -20.311 1.00 41.13 H new ATOM 1639 N GLY A 103 7.678 2.645 -23.641 1.00 2.43 N ATOM 1640 CA GLY A 103 8.117 2.585 -25.023 1.00 31.54 C ATOM 1641 C GLY A 103 8.745 1.250 -25.375 1.00 30.50 C ATOM 1642 O GLY A 103 8.501 0.705 -26.451 1.00 10.41 O ATOM 0 H GLY A 103 6.777 2.203 -23.457 1.00 2.43 H new ATOM 0 HA2 GLY A 103 7.266 2.767 -25.679 1.00 31.54 H new ATOM 0 HA3 GLY A 103 8.838 3.382 -25.207 1.00 31.54 H new ATOM 1646 N LYS A 104 9.556 0.722 -24.465 1.00 25.14 N ATOM 1647 CA LYS A 104 10.222 -0.557 -24.683 1.00 25.34 C ATOM 1648 C LYS A 104 9.202 -1.675 -24.872 1.00 14.23 C ATOM 1649 O LYS A 104 8.236 -1.784 -24.115 1.00 31.24 O ATOM 1650 CB LYS A 104 11.141 -0.885 -23.504 1.00 11.12 C ATOM 1651 CG LYS A 104 12.458 -0.129 -23.532 1.00 33.24 C ATOM 1652 CD LYS A 104 13.447 -0.696 -22.528 1.00 41.15 C ATOM 1653 CE LYS A 104 14.741 0.104 -22.506 1.00 4.32 C ATOM 1654 NZ LYS A 104 15.346 0.217 -23.863 1.00 32.45 N ATOM 0 H LYS A 104 9.768 1.160 -23.569 1.00 25.14 H new ATOM 0 HA LYS A 104 10.821 -0.477 -25.590 1.00 25.34 H new ATOM 0 HB2 LYS A 104 10.620 -0.657 -22.574 1.00 11.12 H new ATOM 0 HB3 LYS A 104 11.346 -1.956 -23.501 1.00 11.12 H new ATOM 0 HG2 LYS A 104 12.886 -0.178 -24.533 1.00 33.24 H new ATOM 0 HG3 LYS A 104 12.279 0.924 -23.313 1.00 33.24 H new ATOM 0 HD2 LYS A 104 13.000 -0.693 -21.534 1.00 41.15 H new ATOM 0 HD3 LYS A 104 13.665 -1.735 -22.777 1.00 41.15 H new ATOM 0 HE2 LYS A 104 14.545 1.101 -22.111 1.00 4.32 H new ATOM 0 HE3 LYS A 104 15.451 -0.372 -21.830 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 16.315 0.586 -23.781 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 15.369 -0.721 -24.312 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 14.777 0.865 -24.444 1.00 32.45 H new ATOM 1668 N LEU A 105 9.424 -2.505 -25.885 1.00 31.53 N ATOM 1669 CA LEU A 105 8.525 -3.618 -26.173 1.00 20.33 C ATOM 1670 C LEU A 105 9.081 -4.926 -25.618 1.00 75.31 C ATOM 1671 O LEU A 105 10.260 -5.231 -25.788 1.00 23.42 O ATOM 1672 CB LEU A 105 8.303 -3.744 -27.681 1.00 32.41 C ATOM 1673 CG LEU A 105 6.895 -4.145 -28.122 1.00 52.15 C ATOM 1674 CD1 LEU A 105 5.878 -3.110 -27.667 1.00 35.41 C ATOM 1675 CD2 LEU A 105 6.840 -4.322 -29.632 1.00 22.22 C ATOM 0 H LEU A 105 10.218 -2.429 -26.521 1.00 31.53 H new ATOM 0 HA LEU A 105 7.570 -3.416 -25.687 1.00 20.33 H new ATOM 0 HB2 LEU A 105 8.549 -2.789 -28.145 1.00 32.41 H new ATOM 0 HB3 LEU A 105 9.007 -4.479 -28.071 1.00 32.41 H new ATOM 0 HG LEU A 105 6.646 -5.098 -27.655 1.00 52.15 H new ATOM 0 HD11 LEU A 105 4.882 -3.412 -27.990 1.00 35.41 H new ATOM 0 HD12 LEU A 105 5.899 -3.032 -26.580 1.00 35.41 H new ATOM 0 HD13 LEU A 105 6.123 -2.142 -28.105 1.00 35.41 H new ATOM 0 HD21 LEU A 105 5.831 -4.607 -29.928 1.00 22.22 H new ATOM 0 HD22 LEU A 105 7.110 -3.384 -30.118 1.00 22.22 H new ATOM 0 HD23 LEU A 105 7.540 -5.101 -29.933 1.00 22.22 H new ATOM 1687 N MET A 106 8.222 -5.694 -24.955 1.00 74.33 N ATOM 1688 CA MET A 106 8.628 -6.971 -24.379 1.00 20.31 C ATOM 1689 C MET A 106 7.815 -8.117 -24.972 1.00 43.33 C ATOM 1690 O MET A 106 6.618 -7.980 -25.220 1.00 3.02 O ATOM 1691 CB MET A 106 8.459 -6.944 -22.858 1.00 44.33 C ATOM 1692 CG MET A 106 9.635 -6.316 -22.128 1.00 71.01 C ATOM 1693 SD MET A 106 9.287 -6.011 -20.385 1.00 50.21 S ATOM 1694 CE MET A 106 10.655 -6.869 -19.611 1.00 61.54 C ATOM 0 H MET A 106 7.242 -5.455 -24.804 1.00 74.33 H new ATOM 0 HA MET A 106 9.679 -7.133 -24.618 1.00 20.31 H new ATOM 0 HB2 MET A 106 7.552 -6.392 -22.611 1.00 44.33 H new ATOM 0 HB3 MET A 106 8.320 -7.963 -22.498 1.00 44.33 H new ATOM 0 HG2 MET A 106 10.502 -6.971 -22.212 1.00 71.01 H new ATOM 0 HG3 MET A 106 9.898 -5.375 -22.612 1.00 71.01 H new ATOM 0 HE1 MET A 106 10.580 -6.771 -18.528 1.00 61.54 H new ATOM 0 HE2 MET A 106 10.624 -7.924 -19.883 1.00 61.54 H new ATOM 0 HE3 MET A 106 11.595 -6.435 -19.950 1.00 61.54 H new ATOM 1704 N VAL A 107 8.475 -9.249 -25.198 1.00 75.01 N ATOM 1705 CA VAL A 107 7.815 -10.420 -25.762 1.00 61.12 C ATOM 1706 C VAL A 107 7.291 -11.337 -24.663 1.00 44.11 C ATOM 1707 O VAL A 107 7.985 -11.613 -23.686 1.00 61.33 O ATOM 1708 CB VAL A 107 8.767 -11.219 -26.672 1.00 11.11 C ATOM 1709 CG1 VAL A 107 9.306 -10.336 -27.787 1.00 22.41 C ATOM 1710 CG2 VAL A 107 9.904 -11.817 -25.858 1.00 1.13 C ATOM 0 H VAL A 107 9.467 -9.379 -24.999 1.00 75.01 H new ATOM 0 HA VAL A 107 6.978 -10.055 -26.357 1.00 61.12 H new ATOM 0 HB VAL A 107 8.207 -12.036 -27.127 1.00 11.11 H new ATOM 0 HG11 VAL A 107 9.977 -10.917 -28.420 1.00 22.41 H new ATOM 0 HG12 VAL A 107 8.477 -9.960 -28.386 1.00 22.41 H new ATOM 0 HG13 VAL A 107 9.851 -9.497 -27.355 1.00 22.41 H new ATOM 0 HG21 VAL A 107 10.567 -12.378 -26.517 1.00 1.13 H new ATOM 0 HG22 VAL A 107 10.465 -11.017 -25.374 1.00 1.13 H new ATOM 0 HG23 VAL A 107 9.496 -12.485 -25.099 1.00 1.13 H new ATOM 1720 N GLY A 108 6.059 -11.809 -24.830 1.00 3.25 N ATOM 1721 CA GLY A 108 5.462 -12.692 -23.845 1.00 34.24 C ATOM 1722 C GLY A 108 6.217 -13.998 -23.704 1.00 63.12 C ATOM 1723 O GLY A 108 7.038 -14.345 -24.553 1.00 74.34 O ATOM 0 H GLY A 108 5.464 -11.595 -25.630 1.00 3.25 H new ATOM 0 HA2 GLY A 108 5.432 -12.187 -22.879 1.00 34.24 H new ATOM 0 HA3 GLY A 108 4.430 -12.901 -24.127 1.00 34.24 H new ATOM 1727 N PHE A 109 5.942 -14.725 -22.626 1.00 65.53 N ATOM 1728 CA PHE A 109 6.603 -16.001 -22.375 1.00 34.22 C ATOM 1729 C PHE A 109 5.636 -17.001 -21.750 1.00 13.12 C ATOM 1730 O PHE A 109 4.649 -16.620 -21.120 1.00 33.42 O ATOM 1731 CB PHE A 109 7.811 -15.800 -21.456 1.00 43.33 C ATOM 1732 CG PHE A 109 8.964 -15.109 -22.126 1.00 4.44 C ATOM 1733 CD1 PHE A 109 9.632 -15.710 -23.181 1.00 74.21 C ATOM 1734 CD2 PHE A 109 9.383 -13.858 -21.699 1.00 64.54 C ATOM 1735 CE1 PHE A 109 10.694 -15.076 -23.799 1.00 22.11 C ATOM 1736 CE2 PHE A 109 10.443 -13.220 -22.314 1.00 30.44 C ATOM 1737 CZ PHE A 109 11.100 -13.831 -23.364 1.00 13.51 C ATOM 0 H PHE A 109 5.266 -14.453 -21.912 1.00 65.53 H new ATOM 0 HA PHE A 109 6.943 -16.400 -23.331 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.504 -15.218 -20.587 1.00 43.33 H new ATOM 0 HB3 PHE A 109 8.143 -16.771 -21.088 1.00 43.33 H new ATOM 0 HD1 PHE A 109 9.319 -16.685 -23.524 1.00 74.21 H new ATOM 0 HD2 PHE A 109 8.875 -13.377 -20.876 1.00 64.54 H new ATOM 0 HE1 PHE A 109 11.205 -15.555 -24.621 1.00 22.11 H new ATOM 0 HE2 PHE A 109 10.758 -12.244 -21.974 1.00 30.44 H new ATOM 0 HZ PHE A 109 11.931 -13.335 -23.844 1.00 13.51 H new ATOM 1747 N LYS A 110 5.926 -18.286 -21.929 1.00 53.10 N ATOM 1748 CA LYS A 110 5.084 -19.344 -21.384 1.00 31.01 C ATOM 1749 C LYS A 110 4.845 -19.134 -19.892 1.00 43.41 C ATOM 1750 O LYS A 110 5.581 -18.415 -19.216 1.00 73.41 O ATOM 1751 CB LYS A 110 5.729 -20.711 -21.621 1.00 1.21 C ATOM 1752 CG LYS A 110 5.260 -21.393 -22.895 1.00 30.45 C ATOM 1753 CD LYS A 110 5.685 -20.617 -24.131 1.00 25.15 C ATOM 1754 CE LYS A 110 5.321 -21.360 -25.407 1.00 71.12 C ATOM 1755 NZ LYS A 110 6.200 -22.541 -25.630 1.00 33.33 N ATOM 0 H LYS A 110 6.738 -18.619 -22.448 1.00 53.10 H new ATOM 0 HA LYS A 110 4.123 -19.310 -21.897 1.00 31.01 H new ATOM 0 HB2 LYS A 110 6.812 -20.590 -21.661 1.00 1.21 H new ATOM 0 HB3 LYS A 110 5.511 -21.358 -20.771 1.00 1.21 H new ATOM 0 HG2 LYS A 110 5.668 -22.403 -22.940 1.00 30.45 H new ATOM 0 HG3 LYS A 110 4.174 -21.488 -22.879 1.00 30.45 H new ATOM 0 HD2 LYS A 110 5.206 -19.638 -24.130 1.00 25.15 H new ATOM 0 HD3 LYS A 110 6.761 -20.446 -24.103 1.00 25.15 H new ATOM 0 HE2 LYS A 110 4.282 -21.685 -25.354 1.00 71.12 H new ATOM 0 HE3 LYS A 110 5.400 -20.682 -26.257 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 6.012 -22.941 -26.572 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 7.196 -22.248 -25.571 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 6.006 -23.260 -24.904 1.00 33.33 H new ATOM 1769 N PRO A 111 3.793 -19.778 -19.365 1.00 3.22 N ATOM 1770 CA PRO A 111 3.434 -19.679 -17.946 1.00 31.43 C ATOM 1771 C PRO A 111 4.442 -20.382 -17.043 1.00 53.03 C ATOM 1772 O PRO A 111 4.901 -19.817 -16.052 1.00 72.25 O ATOM 1773 CB PRO A 111 2.074 -20.377 -17.875 1.00 2.05 C ATOM 1774 CG PRO A 111 2.071 -21.320 -19.028 1.00 62.33 C ATOM 1775 CD PRO A 111 2.873 -20.652 -20.111 1.00 71.40 C ATOM 0 HA PRO A 111 3.416 -18.645 -17.601 1.00 31.43 H new ATOM 0 HB2 PRO A 111 1.950 -20.906 -16.930 1.00 2.05 H new ATOM 0 HB3 PRO A 111 1.257 -19.660 -17.948 1.00 2.05 H new ATOM 0 HG2 PRO A 111 2.512 -22.278 -18.750 1.00 62.33 H new ATOM 0 HG3 PRO A 111 1.054 -21.523 -19.364 1.00 62.33 H new ATOM 0 HD2 PRO A 111 3.413 -21.379 -20.718 1.00 71.40 H new ATOM 0 HD3 PRO A 111 2.237 -20.081 -20.788 1.00 71.40 H new ATOM 1783 N ALA A 112 4.782 -21.618 -17.394 1.00 62.44 N ATOM 1784 CA ALA A 112 5.737 -22.397 -16.616 1.00 52.52 C ATOM 1785 C ALA A 112 7.075 -21.673 -16.505 1.00 34.24 C ATOM 1786 O ALA A 112 7.695 -21.656 -15.442 1.00 74.33 O ATOM 1787 CB ALA A 112 5.929 -23.772 -17.239 1.00 45.03 C ATOM 0 H ALA A 112 4.410 -22.101 -18.212 1.00 62.44 H new ATOM 0 HA ALA A 112 5.335 -22.519 -15.610 1.00 52.52 H new ATOM 0 HB1 ALA A 112 6.645 -24.343 -16.647 1.00 45.03 H new ATOM 0 HB2 ALA A 112 4.975 -24.298 -17.260 1.00 45.03 H new ATOM 0 HB3 ALA A 112 6.305 -23.661 -18.256 1.00 45.03 H new ATOM 1793 N GLN A 113 7.513 -21.076 -17.610 1.00 34.25 N ATOM 1794 CA GLN A 113 8.778 -20.352 -17.635 1.00 42.12 C ATOM 1795 C GLN A 113 8.691 -19.073 -16.809 1.00 63.54 C ATOM 1796 O GLN A 113 9.548 -18.804 -15.968 1.00 30.03 O ATOM 1797 CB GLN A 113 9.170 -20.017 -19.076 1.00 62.35 C ATOM 1798 CG GLN A 113 9.104 -21.210 -20.016 1.00 53.13 C ATOM 1799 CD GLN A 113 9.906 -22.395 -19.514 1.00 30.34 C ATOM 1800 OE1 GLN A 113 10.890 -22.232 -18.792 1.00 1.43 O ATOM 1801 NE2 GLN A 113 9.489 -23.597 -19.896 1.00 31.33 N ATOM 0 H GLN A 113 7.011 -21.080 -18.498 1.00 34.25 H new ATOM 0 HA GLN A 113 9.543 -20.994 -17.197 1.00 42.12 H new ATOM 0 HB2 GLN A 113 8.512 -19.233 -19.450 1.00 62.35 H new ATOM 0 HB3 GLN A 113 10.183 -19.614 -19.084 1.00 62.35 H new ATOM 0 HG2 GLN A 113 8.064 -21.509 -20.145 1.00 53.13 H new ATOM 0 HG3 GLN A 113 9.475 -20.915 -20.998 1.00 53.13 H new ATOM 0 HE21 GLN A 113 8.668 -23.685 -20.495 1.00 31.33 H new ATOM 0 HE22 GLN A 113 9.990 -24.431 -19.590 1.00 31.33 H new ATOM 1810 N TYR A 114 7.649 -18.287 -17.056 1.00 74.31 N ATOM 1811 CA TYR A 114 7.449 -17.034 -16.337 1.00 32.54 C ATOM 1812 C TYR A 114 7.455 -17.264 -14.829 1.00 30.52 C ATOM 1813 O TYR A 114 8.014 -16.470 -14.072 1.00 21.43 O ATOM 1814 CB TYR A 114 6.131 -16.383 -16.760 1.00 52.21 C ATOM 1815 CG TYR A 114 6.151 -14.872 -16.687 1.00 71.23 C ATOM 1816 CD1 TYR A 114 7.118 -14.138 -17.361 1.00 2.14 C ATOM 1817 CD2 TYR A 114 5.201 -14.181 -15.945 1.00 72.04 C ATOM 1818 CE1 TYR A 114 7.140 -12.758 -17.297 1.00 70.32 C ATOM 1819 CE2 TYR A 114 5.215 -12.801 -15.877 1.00 0.14 C ATOM 1820 CZ TYR A 114 6.187 -12.094 -16.554 1.00 74.52 C ATOM 1821 OH TYR A 114 6.204 -10.720 -16.488 1.00 24.42 O ATOM 0 H TYR A 114 6.930 -18.495 -17.749 1.00 74.31 H new ATOM 0 HA TYR A 114 8.273 -16.366 -16.587 1.00 32.54 H new ATOM 0 HB2 TYR A 114 5.897 -16.686 -17.781 1.00 52.21 H new ATOM 0 HB3 TYR A 114 5.329 -16.759 -16.124 1.00 52.21 H new ATOM 0 HD1 TYR A 114 7.865 -14.654 -17.945 1.00 2.14 H new ATOM 0 HD2 TYR A 114 4.439 -14.731 -15.413 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.900 -12.202 -17.826 1.00 70.32 H new ATOM 0 HE2 TYR A 114 4.469 -12.279 -15.297 1.00 0.14 H new ATOM 0 HH TYR A 114 5.464 -10.410 -15.925 1.00 24.42 H new ATOM 1831 N GLU A 115 6.830 -18.355 -14.401 1.00 14.02 N ATOM 1832 CA GLU A 115 6.763 -18.691 -12.983 1.00 22.21 C ATOM 1833 C GLU A 115 8.130 -19.125 -12.462 1.00 15.44 C ATOM 1834 O GLU A 115 8.603 -18.626 -11.440 1.00 4.40 O ATOM 1835 CB GLU A 115 5.739 -19.802 -12.747 1.00 5.22 C ATOM 1836 CG GLU A 115 4.341 -19.454 -13.231 1.00 30.50 C ATOM 1837 CD GLU A 115 3.339 -19.354 -12.098 1.00 42.21 C ATOM 1838 OE1 GLU A 115 3.572 -18.551 -11.170 1.00 14.10 O ATOM 1839 OE2 GLU A 115 2.322 -20.078 -12.137 1.00 54.12 O ATOM 0 H GLU A 115 6.363 -19.022 -15.015 1.00 14.02 H new ATOM 0 HA GLU A 115 6.452 -17.799 -12.439 1.00 22.21 H new ATOM 0 HB2 GLU A 115 6.075 -20.707 -13.253 1.00 5.22 H new ATOM 0 HB3 GLU A 115 5.700 -20.028 -11.681 1.00 5.22 H new ATOM 0 HG2 GLU A 115 4.372 -18.506 -13.768 1.00 30.50 H new ATOM 0 HG3 GLU A 115 4.007 -20.211 -13.940 1.00 30.50 H new ATOM 1846 N ALA A 116 8.759 -20.056 -13.171 1.00 50.22 N ATOM 1847 CA ALA A 116 10.071 -20.556 -12.781 1.00 4.31 C ATOM 1848 C ALA A 116 11.105 -19.436 -12.771 1.00 51.44 C ATOM 1849 O ALA A 116 12.085 -19.489 -12.028 1.00 72.23 O ATOM 1850 CB ALA A 116 10.510 -21.673 -13.717 1.00 54.13 C ATOM 0 H ALA A 116 8.381 -20.479 -14.019 1.00 50.22 H new ATOM 0 HA ALA A 116 9.994 -20.953 -11.769 1.00 4.31 H new ATOM 0 HB1 ALA A 116 11.492 -22.037 -13.414 1.00 54.13 H new ATOM 0 HB2 ALA A 116 9.790 -22.490 -13.671 1.00 54.13 H new ATOM 0 HB3 ALA A 116 10.563 -21.293 -14.737 1.00 54.13 H new ATOM 1856 N TYR A 117 10.880 -18.422 -13.600 1.00 54.32 N ATOM 1857 CA TYR A 117 11.795 -17.289 -13.688 1.00 43.12 C ATOM 1858 C TYR A 117 11.519 -16.279 -12.579 1.00 23.32 C ATOM 1859 O TYR A 117 12.443 -15.715 -11.993 1.00 72.22 O ATOM 1860 CB TYR A 117 11.670 -16.612 -15.053 1.00 24.03 C ATOM 1861 CG TYR A 117 12.540 -15.385 -15.202 1.00 64.05 C ATOM 1862 CD1 TYR A 117 13.910 -15.449 -14.984 1.00 53.14 C ATOM 1863 CD2 TYR A 117 11.991 -14.159 -15.561 1.00 22.44 C ATOM 1864 CE1 TYR A 117 14.709 -14.330 -15.117 1.00 11.13 C ATOM 1865 CE2 TYR A 117 12.782 -13.034 -15.698 1.00 40.30 C ATOM 1866 CZ TYR A 117 14.141 -13.125 -15.475 1.00 14.53 C ATOM 1867 OH TYR A 117 14.933 -12.008 -15.611 1.00 31.20 O ATOM 0 H TYR A 117 10.073 -18.361 -14.220 1.00 54.32 H new ATOM 0 HA TYR A 117 12.811 -17.664 -13.568 1.00 43.12 H new ATOM 0 HB2 TYR A 117 11.932 -17.330 -15.830 1.00 24.03 H new ATOM 0 HB3 TYR A 117 10.629 -16.331 -15.216 1.00 24.03 H new ATOM 0 HD1 TYR A 117 14.359 -16.391 -14.705 1.00 53.14 H new ATOM 0 HD2 TYR A 117 10.928 -14.085 -15.736 1.00 22.44 H new ATOM 0 HE1 TYR A 117 15.772 -14.398 -14.942 1.00 11.13 H new ATOM 0 HE2 TYR A 117 12.339 -12.089 -15.978 1.00 40.30 H new ATOM 0 HH TYR A 117 14.378 -11.243 -15.869 1.00 31.20 H new ATOM 1877 N PHE A 118 10.240 -16.055 -12.295 1.00 14.14 N ATOM 1878 CA PHE A 118 9.841 -15.113 -11.257 1.00 2.10 C ATOM 1879 C PHE A 118 10.481 -15.473 -9.920 1.00 23.32 C ATOM 1880 O PHE A 118 10.768 -14.600 -9.101 1.00 14.34 O ATOM 1881 CB PHE A 118 8.317 -15.092 -11.117 1.00 24.24 C ATOM 1882 CG PHE A 118 7.769 -13.751 -10.718 1.00 65.14 C ATOM 1883 CD1 PHE A 118 8.011 -13.237 -9.454 1.00 41.02 C ATOM 1884 CD2 PHE A 118 7.016 -13.004 -11.609 1.00 55.11 C ATOM 1885 CE1 PHE A 118 7.507 -12.003 -9.086 1.00 73.25 C ATOM 1886 CE2 PHE A 118 6.511 -11.770 -11.246 1.00 41.31 C ATOM 1887 CZ PHE A 118 6.757 -11.268 -9.983 1.00 31.03 C ATOM 0 H PHE A 118 9.462 -16.514 -12.770 1.00 14.14 H new ATOM 0 HA PHE A 118 10.186 -14.121 -11.549 1.00 2.10 H new ATOM 0 HB2 PHE A 118 7.869 -15.391 -12.065 1.00 24.24 H new ATOM 0 HB3 PHE A 118 8.018 -15.833 -10.375 1.00 24.24 H new ATOM 0 HD1 PHE A 118 8.599 -13.806 -8.749 1.00 41.02 H new ATOM 0 HD2 PHE A 118 6.821 -13.390 -12.599 1.00 55.11 H new ATOM 0 HE1 PHE A 118 7.700 -11.614 -8.097 1.00 73.25 H new ATOM 0 HE2 PHE A 118 5.924 -11.198 -11.950 1.00 41.31 H new ATOM 0 HZ PHE A 118 6.364 -10.303 -9.698 1.00 31.03 H new ATOM 1897 N LYS A 119 10.702 -16.766 -9.706 1.00 45.31 N ATOM 1898 CA LYS A 119 11.309 -17.244 -8.469 1.00 73.12 C ATOM 1899 C LYS A 119 12.816 -17.010 -8.477 1.00 53.44 C ATOM 1900 O LYS A 119 13.510 -17.393 -9.420 1.00 11.14 O ATOM 1901 CB LYS A 119 11.015 -18.733 -8.275 1.00 41.45 C ATOM 1902 CG LYS A 119 11.785 -19.362 -7.127 1.00 3.34 C ATOM 1903 CD LYS A 119 11.121 -20.638 -6.643 1.00 40.53 C ATOM 1904 CE LYS A 119 10.018 -20.346 -5.636 1.00 22.25 C ATOM 1905 NZ LYS A 119 9.388 -21.595 -5.125 1.00 11.40 N ATOM 0 H LYS A 119 10.470 -17.502 -10.373 1.00 45.31 H new ATOM 0 HA LYS A 119 10.876 -16.683 -7.641 1.00 73.12 H new ATOM 0 HB2 LYS A 119 9.947 -18.864 -8.100 1.00 41.45 H new ATOM 0 HB3 LYS A 119 11.254 -19.265 -9.196 1.00 41.45 H new ATOM 0 HG2 LYS A 119 12.804 -19.580 -7.447 1.00 3.34 H new ATOM 0 HG3 LYS A 119 11.855 -18.652 -6.303 1.00 3.34 H new ATOM 0 HD2 LYS A 119 10.705 -21.178 -7.494 1.00 40.53 H new ATOM 0 HD3 LYS A 119 11.868 -21.288 -6.187 1.00 40.53 H new ATOM 0 HE2 LYS A 119 10.430 -19.779 -4.801 1.00 22.25 H new ATOM 0 HE3 LYS A 119 9.257 -19.720 -6.102 1.00 22.25 H new ATOM 0 HZ1 LYS A 119 8.642 -21.353 -4.442 1.00 11.40 H new ATOM 0 HZ2 LYS A 119 8.973 -22.124 -5.918 1.00 11.40 H new ATOM 0 HZ3 LYS A 119 10.109 -22.181 -4.657 1.00 11.40 H new ATOM 1919 N LEU A 120 13.318 -16.380 -7.420 1.00 51.43 N ATOM 1920 CA LEU A 120 14.744 -16.097 -7.305 1.00 62.11 C ATOM 1921 C LEU A 120 15.384 -16.953 -6.218 1.00 51.03 C ATOM 1922 O LEU A 120 15.033 -16.848 -5.043 1.00 22.42 O ATOM 1923 CB LEU A 120 14.965 -14.614 -6.998 1.00 40.12 C ATOM 1924 CG LEU A 120 16.268 -14.008 -7.521 1.00 62.42 C ATOM 1925 CD1 LEU A 120 16.257 -12.496 -7.358 1.00 62.14 C ATOM 1926 CD2 LEU A 120 17.465 -14.614 -6.805 1.00 30.24 C ATOM 0 H LEU A 120 12.759 -16.056 -6.631 1.00 51.43 H new ATOM 0 HA LEU A 120 15.216 -16.340 -8.257 1.00 62.11 H new ATOM 0 HB2 LEU A 120 14.132 -14.049 -7.415 1.00 40.12 H new ATOM 0 HB3 LEU A 120 14.933 -14.478 -5.917 1.00 40.12 H new ATOM 0 HG LEU A 120 16.351 -14.238 -8.583 1.00 62.42 H new ATOM 0 HD11 LEU A 120 17.192 -12.083 -7.736 1.00 62.14 H new ATOM 0 HD12 LEU A 120 15.422 -12.076 -7.918 1.00 62.14 H new ATOM 0 HD13 LEU A 120 16.149 -12.245 -6.303 1.00 62.14 H new ATOM 0 HD21 LEU A 120 18.383 -14.170 -7.191 1.00 30.24 H new ATOM 0 HD22 LEU A 120 17.388 -14.416 -5.736 1.00 30.24 H new ATOM 0 HD23 LEU A 120 17.484 -15.691 -6.974 1.00 30.24 H new TER 1938 LEU A 120