USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 890 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 93 LYS NZ :NH3+ -174:sc= 0.897 (180deg=-0.0519) USER MOD Set 1.2: A 96 GLN : amide:sc= 0.648 K(o=1.5,f=-6.6!) USER MOD Set 2.1: A 22 THR OG1 : rot -46:sc= -0.117 USER MOD Set 2.2: A 72 GLN : amide:sc= 0.485 K(o=0.37,f=-0.7) USER MOD Single : A 21 MET CE :methyl -165:sc= -0.0604 (180deg=-0.369) USER MOD Single : A 29 SER OG : rot -150:sc=-0.00528 USER MOD Single : A 30 ASN : amide:sc=-0.00275 K(o=-0.0028,f=-0.6) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= -0.0213 (180deg=-0.163) USER MOD Single : A 40 LYS NZ :NH3+ 155:sc= 1.3 (180deg=0.946) USER MOD Single : A 41 MET CE :methyl -169:sc= -0.0634 (180deg=-0.267) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= -0.0322 (180deg=-0.203) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -166:sc= -0.0325 (180deg=-0.254) USER MOD Single : A 60 LYS NZ :NH3+ 163:sc= 1.12 (180deg=0.703) USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= 1.44 (180deg=0.885) USER MOD Single : A 64 LYS NZ :NH3+ 157:sc= -1.89! (180deg=-3.16!) USER MOD Single : A 70 LYS NZ :NH3+ -120:sc= 0.412 (180deg=0.256) USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= -0.0113 (180deg=-0.12) USER MOD Single : A 73 ASN : amide:sc= -4.65! C(o=-4.7!,f=-6.6!) USER MOD Single : A 74 SER OG : rot -34:sc= 0.778 USER MOD Single : A 75 SER OG : rot 180:sc= 0.00486 USER MOD Single : A 78 LYS NZ :NH3+ 148:sc= 1.02! (180deg=-0.00615!) USER MOD Single : A 85 LYS NZ :NH3+ 174:sc= 1.2 (180deg=1.17) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 163:sc= -0.0526 (180deg=-0.324) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -33:sc= 0.713 USER MOD Single : A 110 SER OG : rot 180:sc= -0.056 USER MOD Single : A 115 LYS NZ :NH3+ -166:sc= 2.01 (180deg=1.73) USER MOD Single : A 119 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0825) USER MOD Single : A 122 SER OG : rot 81:sc= 0.644 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -6.634 -14.145 4.012 1.00 0.86 N ATOM 2 CA MET A 21 -7.028 -12.754 3.695 1.00 0.65 C ATOM 3 C MET A 21 -6.101 -12.183 2.631 1.00 0.55 C ATOM 4 O MET A 21 -4.886 -12.368 2.695 1.00 0.75 O ATOM 5 CB MET A 21 -7.004 -11.880 4.962 1.00 0.73 C ATOM 6 CG MET A 21 -5.615 -11.635 5.545 1.00 1.04 C ATOM 7 SD MET A 21 -4.776 -13.147 6.069 1.00 1.93 S ATOM 8 CE MET A 21 -5.863 -13.723 7.373 1.00 2.17 C ATOM 0 HA MET A 21 -8.047 -12.757 3.308 1.00 0.65 H new ATOM 0 HB2 MET A 21 -7.460 -10.918 4.731 1.00 0.73 H new ATOM 0 HB3 MET A 21 -7.624 -12.352 5.724 1.00 0.73 H new ATOM 0 HG2 MET A 21 -5.001 -11.128 4.800 1.00 1.04 H new ATOM 0 HG3 MET A 21 -5.701 -10.962 6.398 1.00 1.04 H new ATOM 0 HE1 MET A 21 -5.352 -14.483 7.963 1.00 2.17 H new ATOM 0 HE2 MET A 21 -6.135 -12.886 8.016 1.00 2.17 H new ATOM 0 HE3 MET A 21 -6.764 -14.150 6.933 1.00 2.17 H new ATOM 17 N THR A 22 -6.671 -11.509 1.642 1.00 0.43 N ATOM 18 CA THR A 22 -5.880 -10.979 0.543 1.00 0.41 C ATOM 19 C THR A 22 -5.133 -9.720 0.977 1.00 0.35 C ATOM 20 O THR A 22 -5.741 -8.760 1.459 1.00 0.38 O ATOM 21 CB THR A 22 -6.761 -10.665 -0.682 1.00 0.52 C ATOM 22 OG1 THR A 22 -7.694 -11.733 -0.898 1.00 0.82 O ATOM 23 CG2 THR A 22 -5.906 -10.491 -1.926 1.00 0.63 C ATOM 0 H THR A 22 -7.671 -11.318 1.579 1.00 0.43 H new ATOM 0 HA THR A 22 -5.158 -11.745 0.260 1.00 0.41 H new ATOM 0 HB THR A 22 -7.299 -9.737 -0.488 1.00 0.52 H new ATOM 0 HG1 THR A 22 -7.227 -12.593 -0.836 1.00 0.82 H new ATOM 0 HG21 THR A 22 -6.547 -10.270 -2.780 1.00 0.63 H new ATOM 0 HG22 THR A 22 -5.207 -9.669 -1.775 1.00 0.63 H new ATOM 0 HG23 THR A 22 -5.351 -11.409 -2.117 1.00 0.63 H new ATOM 31 N LEU A 23 -3.815 -9.741 0.829 1.00 0.32 N ATOM 32 CA LEU A 23 -2.987 -8.615 1.223 1.00 0.29 C ATOM 33 C LEU A 23 -2.520 -7.838 -0.001 1.00 0.26 C ATOM 34 O LEU A 23 -1.972 -8.413 -0.944 1.00 0.30 O ATOM 35 CB LEU A 23 -1.771 -9.096 2.016 1.00 0.30 C ATOM 36 CG LEU A 23 -2.073 -9.947 3.253 1.00 0.36 C ATOM 37 CD1 LEU A 23 -0.786 -10.288 3.985 1.00 0.39 C ATOM 38 CD2 LEU A 23 -3.033 -9.228 4.182 1.00 0.39 C ATOM 0 H LEU A 23 -3.298 -10.528 0.438 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.588 -7.959 1.852 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -1.132 -9.674 1.349 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -1.198 -8.224 2.330 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.546 -10.872 2.924 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -1.016 -10.893 4.862 1.00 0.39 H new ATOM 0 HD12 LEU A 23 -0.127 -10.847 3.321 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.291 -9.369 4.298 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.232 -9.852 5.053 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.590 -8.286 4.504 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -3.967 -9.029 3.657 1.00 0.39 H new ATOM 50 N PHE A 24 -2.741 -6.534 0.018 1.00 0.25 N ATOM 51 CA PHE A 24 -2.328 -5.669 -1.077 1.00 0.25 C ATOM 52 C PHE A 24 -1.315 -4.653 -0.584 1.00 0.26 C ATOM 53 O PHE A 24 -1.374 -4.215 0.564 1.00 0.30 O ATOM 54 CB PHE A 24 -3.527 -4.915 -1.660 1.00 0.28 C ATOM 55 CG PHE A 24 -4.664 -5.790 -2.090 1.00 0.34 C ATOM 56 CD1 PHE A 24 -4.746 -6.251 -3.392 1.00 1.24 C ATOM 57 CD2 PHE A 24 -5.659 -6.145 -1.194 1.00 1.25 C ATOM 58 CE1 PHE A 24 -5.796 -7.048 -3.792 1.00 1.25 C ATOM 59 CE2 PHE A 24 -6.711 -6.945 -1.587 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.780 -7.396 -2.890 1.00 0.51 C ATOM 0 H PHE A 24 -3.207 -6.048 0.784 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.886 -6.298 -1.849 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -3.892 -4.207 -0.915 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -3.191 -4.331 -2.517 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -3.978 -5.983 -4.103 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -5.610 -5.791 -0.175 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -5.849 -7.400 -4.812 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -7.478 -7.218 -0.878 1.00 1.30 H new ATOM 0 HZ PHE A 24 -7.604 -8.021 -3.203 1.00 0.51 H new ATOM 70 N VAL A 25 -0.390 -4.271 -1.444 1.00 0.29 N ATOM 71 CA VAL A 25 0.514 -3.185 -1.128 1.00 0.31 C ATOM 72 C VAL A 25 0.643 -2.231 -2.304 1.00 0.30 C ATOM 73 O VAL A 25 0.852 -2.634 -3.449 1.00 0.35 O ATOM 74 CB VAL A 25 1.912 -3.661 -0.669 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.525 -4.634 -1.660 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.826 -2.460 -0.455 1.00 0.98 C ATOM 0 H VAL A 25 -0.246 -4.694 -2.361 1.00 0.29 H new ATOM 0 HA VAL A 25 0.070 -2.661 -0.281 1.00 0.31 H new ATOM 0 HB VAL A 25 1.796 -4.192 0.276 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.507 -4.946 -1.304 1.00 1.08 H new ATOM 0 HG12 VAL A 25 1.880 -5.507 -1.759 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.629 -4.148 -2.630 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.809 -2.804 -0.132 1.00 0.98 H new ATOM 0 HG22 VAL A 25 2.924 -1.906 -1.389 1.00 0.98 H new ATOM 0 HG23 VAL A 25 2.400 -1.810 0.309 1.00 0.98 H new ATOM 86 N LEU A 26 0.483 -0.964 -1.997 1.00 0.34 N ATOM 87 CA LEU A 26 0.582 0.100 -2.968 1.00 0.35 C ATOM 88 C LEU A 26 1.770 0.977 -2.622 1.00 0.34 C ATOM 89 O LEU A 26 2.231 0.980 -1.482 1.00 0.36 O ATOM 90 CB LEU A 26 -0.686 0.953 -2.951 1.00 0.40 C ATOM 91 CG LEU A 26 -1.890 0.422 -3.741 1.00 0.44 C ATOM 92 CD1 LEU A 26 -2.356 -0.921 -3.218 1.00 1.18 C ATOM 93 CD2 LEU A 26 -3.036 1.414 -3.682 1.00 1.09 C ATOM 0 H LEU A 26 0.278 -0.640 -1.052 1.00 0.34 H new ATOM 0 HA LEU A 26 0.707 -0.335 -3.960 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -0.992 1.085 -1.913 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.436 1.941 -3.337 1.00 0.40 H new ATOM 0 HG LEU A 26 -1.570 0.292 -4.775 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -3.210 -1.263 -3.803 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.545 -1.645 -3.301 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -2.649 -0.823 -2.173 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -3.883 1.025 -4.246 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -3.331 1.568 -2.644 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -2.718 2.363 -4.113 1.00 1.09 H new ATOM 105 N ILE A 27 2.263 1.715 -3.592 1.00 0.34 N ATOM 106 CA ILE A 27 3.336 2.655 -3.343 1.00 0.32 C ATOM 107 C ILE A 27 3.250 3.826 -4.313 1.00 0.30 C ATOM 108 O ILE A 27 3.195 3.629 -5.527 1.00 0.36 O ATOM 109 CB ILE A 27 4.729 1.975 -3.436 1.00 0.33 C ATOM 110 CG1 ILE A 27 5.847 2.992 -3.188 1.00 0.33 C ATOM 111 CG2 ILE A 27 4.917 1.293 -4.786 1.00 0.35 C ATOM 112 CD1 ILE A 27 7.229 2.376 -3.145 1.00 0.55 C ATOM 0 H ILE A 27 1.940 1.683 -4.559 1.00 0.34 H new ATOM 0 HA ILE A 27 3.219 3.028 -2.325 1.00 0.32 H new ATOM 0 HB ILE A 27 4.780 1.211 -2.661 1.00 0.33 H new ATOM 0 HG12 ILE A 27 5.820 3.748 -3.973 1.00 0.33 H new ATOM 0 HG13 ILE A 27 5.658 3.505 -2.245 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.901 0.825 -4.823 1.00 0.35 H new ATOM 0 HG22 ILE A 27 4.148 0.532 -4.919 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.837 2.033 -5.582 1.00 0.35 H new ATOM 0 HD11 ILE A 27 7.969 3.156 -2.966 1.00 0.55 H new ATOM 0 HD12 ILE A 27 7.275 1.641 -2.342 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.439 1.888 -4.096 1.00 0.55 H new ATOM 124 N LEU A 28 3.196 5.041 -3.784 1.00 0.30 N ATOM 125 CA LEU A 28 3.254 6.209 -4.637 1.00 0.36 C ATOM 126 C LEU A 28 4.605 6.877 -4.441 1.00 0.38 C ATOM 127 O LEU A 28 4.738 7.891 -3.749 1.00 0.41 O ATOM 128 CB LEU A 28 2.130 7.177 -4.262 1.00 0.46 C ATOM 129 CG LEU A 28 1.485 7.917 -5.427 1.00 0.62 C ATOM 130 CD1 LEU A 28 0.742 6.940 -6.315 1.00 1.24 C ATOM 131 CD2 LEU A 28 0.541 8.991 -4.918 1.00 1.18 C ATOM 0 H LEU A 28 3.114 5.237 -2.786 1.00 0.30 H new ATOM 0 HA LEU A 28 3.130 5.921 -5.681 1.00 0.36 H new ATOM 0 HB2 LEU A 28 1.355 6.620 -3.735 1.00 0.46 H new ATOM 0 HB3 LEU A 28 2.526 7.913 -3.562 1.00 0.46 H new ATOM 0 HG LEU A 28 2.269 8.398 -6.012 1.00 0.62 H new ATOM 0 HD11 LEU A 28 0.284 7.478 -7.145 1.00 1.24 H new ATOM 0 HD12 LEU A 28 1.440 6.199 -6.704 1.00 1.24 H new ATOM 0 HD13 LEU A 28 -0.034 6.439 -5.736 1.00 1.24 H new ATOM 0 HD21 LEU A 28 0.089 9.509 -5.764 1.00 1.18 H new ATOM 0 HD22 LEU A 28 -0.242 8.531 -4.314 1.00 1.18 H new ATOM 0 HD23 LEU A 28 1.096 9.705 -4.310 1.00 1.18 H new ATOM 143 N SER A 29 5.604 6.271 -5.048 1.00 0.44 N ATOM 144 CA SER A 29 6.959 6.783 -5.065 1.00 0.56 C ATOM 145 C SER A 29 7.636 6.319 -6.342 1.00 0.68 C ATOM 146 O SER A 29 7.342 5.219 -6.814 1.00 1.05 O ATOM 147 CB SER A 29 7.728 6.287 -3.836 1.00 0.61 C ATOM 148 OG SER A 29 7.096 6.710 -2.640 1.00 1.27 O ATOM 0 H SER A 29 5.495 5.392 -5.553 1.00 0.44 H new ATOM 0 HA SER A 29 6.945 7.872 -5.035 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.789 5.199 -3.855 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.750 6.664 -3.865 1.00 0.61 H new ATOM 0 HG SER A 29 7.769 6.824 -1.937 1.00 1.27 H new ATOM 154 N ASN A 30 8.512 7.112 -6.928 1.00 0.60 N ATOM 155 CA ASN A 30 9.329 6.569 -7.994 1.00 0.67 C ATOM 156 C ASN A 30 10.803 6.804 -7.717 1.00 0.64 C ATOM 157 O ASN A 30 11.382 7.817 -8.117 1.00 0.68 O ATOM 158 CB ASN A 30 8.938 7.183 -9.341 1.00 0.79 C ATOM 159 CG ASN A 30 9.788 6.664 -10.488 1.00 1.85 C ATOM 160 OD1 ASN A 30 10.281 5.536 -10.456 1.00 2.75 O ATOM 161 ND2 ASN A 30 9.968 7.487 -11.508 1.00 2.45 N ATOM 0 H ASN A 30 8.673 8.093 -6.698 1.00 0.60 H new ATOM 0 HA ASN A 30 9.154 5.494 -8.039 1.00 0.67 H new ATOM 0 HB2 ASN A 30 7.889 6.967 -9.544 1.00 0.79 H new ATOM 0 HB3 ASN A 30 9.035 8.267 -9.284 1.00 0.79 H new ATOM 0 HD21 ASN A 30 10.532 7.195 -12.306 1.00 2.45 H new ATOM 0 HD22 ASN A 30 9.542 8.414 -11.497 1.00 2.45 H new ATOM 168 N ASP A 31 11.390 5.859 -7.005 1.00 0.63 N ATOM 169 CA ASP A 31 12.828 5.662 -6.978 1.00 0.67 C ATOM 170 C ASP A 31 13.110 4.266 -7.498 1.00 0.72 C ATOM 171 O ASP A 31 12.515 3.298 -7.024 1.00 0.81 O ATOM 172 CB ASP A 31 13.408 5.833 -5.577 1.00 0.72 C ATOM 173 CG ASP A 31 14.910 5.624 -5.567 1.00 0.92 C ATOM 174 OD1 ASP A 31 15.655 6.595 -5.810 1.00 1.45 O ATOM 175 OD2 ASP A 31 15.354 4.485 -5.333 1.00 1.57 O ATOM 0 H ASP A 31 10.875 5.199 -6.422 1.00 0.63 H new ATOM 0 HA ASP A 31 13.305 6.417 -7.603 1.00 0.67 H new ATOM 0 HB2 ASP A 31 13.176 6.831 -5.206 1.00 0.72 H new ATOM 0 HB3 ASP A 31 12.936 5.123 -4.898 1.00 0.72 H new ATOM 180 N LYS A 32 14.014 4.156 -8.450 1.00 0.78 N ATOM 181 CA LYS A 32 14.251 2.891 -9.129 1.00 0.82 C ATOM 182 C LYS A 32 14.837 1.838 -8.189 1.00 0.79 C ATOM 183 O LYS A 32 14.612 0.640 -8.373 1.00 0.81 O ATOM 184 CB LYS A 32 15.159 3.112 -10.329 1.00 0.99 C ATOM 185 CG LYS A 32 14.592 4.131 -11.297 1.00 1.10 C ATOM 186 CD LYS A 32 15.136 3.932 -12.690 1.00 1.61 C ATOM 187 CE LYS A 32 14.509 4.911 -13.668 1.00 2.22 C ATOM 188 NZ LYS A 32 15.012 4.722 -15.051 1.00 2.93 N ATOM 0 H LYS A 32 14.599 4.926 -8.774 1.00 0.78 H new ATOM 0 HA LYS A 32 13.290 2.508 -9.473 1.00 0.82 H new ATOM 0 HB2 LYS A 32 16.138 3.446 -9.985 1.00 0.99 H new ATOM 0 HB3 LYS A 32 15.309 2.165 -10.848 1.00 0.99 H new ATOM 0 HG2 LYS A 32 13.505 4.052 -11.315 1.00 1.10 H new ATOM 0 HG3 LYS A 32 14.833 5.136 -10.951 1.00 1.10 H new ATOM 0 HD2 LYS A 32 16.218 4.063 -12.683 1.00 1.61 H new ATOM 0 HD3 LYS A 32 14.941 2.911 -13.017 1.00 1.61 H new ATOM 0 HE2 LYS A 32 13.426 4.789 -13.657 1.00 2.22 H new ATOM 0 HE3 LYS A 32 14.718 5.930 -13.343 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 14.557 5.411 -15.683 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 16.042 4.864 -15.068 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 14.790 3.758 -15.372 1.00 2.93 H new ATOM 202 N LYS A 33 15.565 2.282 -7.173 1.00 0.84 N ATOM 203 CA LYS A 33 16.190 1.362 -6.233 1.00 0.86 C ATOM 204 C LYS A 33 15.255 1.072 -5.056 1.00 0.74 C ATOM 205 O LYS A 33 15.214 -0.047 -4.542 1.00 0.70 O ATOM 206 CB LYS A 33 17.524 1.934 -5.743 1.00 1.02 C ATOM 207 CG LYS A 33 18.297 0.995 -4.831 1.00 1.56 C ATOM 208 CD LYS A 33 19.719 1.483 -4.589 1.00 2.24 C ATOM 209 CE LYS A 33 19.755 2.827 -3.878 1.00 2.94 C ATOM 210 NZ LYS A 33 19.108 2.775 -2.539 1.00 3.44 N ATOM 0 H LYS A 33 15.737 3.269 -6.979 1.00 0.84 H new ATOM 0 HA LYS A 33 16.385 0.420 -6.745 1.00 0.86 H new ATOM 0 HB2 LYS A 33 18.143 2.178 -6.606 1.00 1.02 H new ATOM 0 HB3 LYS A 33 17.335 2.867 -5.212 1.00 1.02 H new ATOM 0 HG2 LYS A 33 17.777 0.905 -3.877 1.00 1.56 H new ATOM 0 HG3 LYS A 33 18.325 -0.000 -5.274 1.00 1.56 H new ATOM 0 HD2 LYS A 33 20.258 0.745 -3.994 1.00 2.24 H new ATOM 0 HD3 LYS A 33 20.240 1.565 -5.543 1.00 2.24 H new ATOM 0 HE2 LYS A 33 20.790 3.149 -3.766 1.00 2.94 H new ATOM 0 HE3 LYS A 33 19.253 3.574 -4.493 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 19.317 3.650 -2.018 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 18.079 2.678 -2.654 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 19.475 1.960 -2.008 1.00 3.44 H new ATOM 224 N LEU A 34 14.500 2.085 -4.642 1.00 0.72 N ATOM 225 CA LEU A 34 13.533 1.934 -3.559 1.00 0.64 C ATOM 226 C LEU A 34 12.452 0.933 -3.959 1.00 0.58 C ATOM 227 O LEU A 34 12.106 0.042 -3.184 1.00 0.62 O ATOM 228 CB LEU A 34 12.908 3.296 -3.215 1.00 0.63 C ATOM 229 CG LEU A 34 12.192 3.397 -1.859 1.00 0.69 C ATOM 230 CD1 LEU A 34 11.997 4.855 -1.478 1.00 1.37 C ATOM 231 CD2 LEU A 34 10.843 2.693 -1.887 1.00 1.46 C ATOM 0 H LEU A 34 14.539 3.023 -5.042 1.00 0.72 H new ATOM 0 HA LEU A 34 14.046 1.556 -2.674 1.00 0.64 H new ATOM 0 HB2 LEU A 34 13.695 4.050 -3.243 1.00 0.63 H new ATOM 0 HB3 LEU A 34 12.194 3.552 -3.998 1.00 0.63 H new ATOM 0 HG LEU A 34 12.819 2.904 -1.116 1.00 0.69 H new ATOM 0 HD11 LEU A 34 11.489 4.915 -0.516 1.00 1.37 H new ATOM 0 HD12 LEU A 34 12.968 5.345 -1.407 1.00 1.37 H new ATOM 0 HD13 LEU A 34 11.394 5.352 -2.238 1.00 1.37 H new ATOM 0 HD21 LEU A 34 10.365 2.784 -0.912 1.00 1.46 H new ATOM 0 HD22 LEU A 34 10.209 3.151 -2.646 1.00 1.46 H new ATOM 0 HD23 LEU A 34 10.988 1.639 -2.123 1.00 1.46 H new ATOM 243 N ILE A 35 11.932 1.085 -5.179 1.00 0.54 N ATOM 244 CA ILE A 35 10.905 0.182 -5.694 1.00 0.52 C ATOM 245 C ILE A 35 11.403 -1.261 -5.676 1.00 0.55 C ATOM 246 O ILE A 35 10.656 -2.181 -5.331 1.00 0.58 O ATOM 247 CB ILE A 35 10.463 0.573 -7.126 1.00 0.56 C ATOM 248 CG1 ILE A 35 9.750 1.930 -7.104 1.00 0.57 C ATOM 249 CG2 ILE A 35 9.554 -0.494 -7.729 1.00 0.61 C ATOM 250 CD1 ILE A 35 9.341 2.431 -8.473 1.00 0.69 C ATOM 0 H ILE A 35 12.206 1.824 -5.826 1.00 0.54 H new ATOM 0 HA ILE A 35 10.037 0.269 -5.040 1.00 0.52 H new ATOM 0 HB ILE A 35 11.353 0.649 -7.750 1.00 0.56 H new ATOM 0 HG12 ILE A 35 8.862 1.853 -6.476 1.00 0.57 H new ATOM 0 HG13 ILE A 35 10.406 2.666 -6.640 1.00 0.57 H new ATOM 0 HG21 ILE A 35 9.258 -0.194 -8.734 1.00 0.61 H new ATOM 0 HG22 ILE A 35 10.088 -1.443 -7.776 1.00 0.61 H new ATOM 0 HG23 ILE A 35 8.665 -0.608 -7.108 1.00 0.61 H new ATOM 0 HD11 ILE A 35 8.843 3.396 -8.374 1.00 0.69 H new ATOM 0 HD12 ILE A 35 10.226 2.542 -9.099 1.00 0.69 H new ATOM 0 HD13 ILE A 35 8.659 1.716 -8.933 1.00 0.69 H new ATOM 262 N GLU A 36 12.672 -1.450 -6.030 1.00 0.59 N ATOM 263 CA GLU A 36 13.299 -2.759 -5.936 1.00 0.66 C ATOM 264 C GLU A 36 13.184 -3.317 -4.525 1.00 0.62 C ATOM 265 O GLU A 36 12.542 -4.342 -4.313 1.00 0.62 O ATOM 266 CB GLU A 36 14.768 -2.681 -6.346 1.00 0.79 C ATOM 267 CG GLU A 36 14.974 -2.680 -7.845 1.00 0.76 C ATOM 268 CD GLU A 36 14.664 -4.024 -8.471 1.00 1.34 C ATOM 269 OE1 GLU A 36 15.479 -4.959 -8.317 1.00 2.15 O ATOM 270 OE2 GLU A 36 13.606 -4.157 -9.117 1.00 1.87 O ATOM 0 H GLU A 36 13.282 -0.713 -6.383 1.00 0.59 H new ATOM 0 HA GLU A 36 12.776 -3.430 -6.618 1.00 0.66 H new ATOM 0 HB2 GLU A 36 15.207 -1.776 -5.926 1.00 0.79 H new ATOM 0 HB3 GLU A 36 15.304 -3.526 -5.914 1.00 0.79 H new ATOM 0 HG2 GLU A 36 14.339 -1.917 -8.296 1.00 0.76 H new ATOM 0 HG3 GLU A 36 16.006 -2.408 -8.067 1.00 0.76 H new ATOM 277 N GLU A 37 13.780 -2.618 -3.565 1.00 0.62 N ATOM 278 CA GLU A 37 13.824 -3.078 -2.177 1.00 0.65 C ATOM 279 C GLU A 37 12.428 -3.301 -1.604 1.00 0.56 C ATOM 280 O GLU A 37 12.204 -4.253 -0.853 1.00 0.57 O ATOM 281 CB GLU A 37 14.578 -2.071 -1.309 1.00 0.73 C ATOM 282 CG GLU A 37 16.071 -2.034 -1.570 1.00 0.85 C ATOM 283 CD GLU A 37 16.763 -3.315 -1.154 1.00 1.30 C ATOM 284 OE1 GLU A 37 16.928 -3.536 0.066 1.00 2.05 O ATOM 285 OE2 GLU A 37 17.161 -4.101 -2.040 1.00 1.84 O ATOM 0 H GLU A 37 14.244 -1.723 -3.722 1.00 0.62 H new ATOM 0 HA GLU A 37 14.347 -4.035 -2.171 1.00 0.65 H new ATOM 0 HB2 GLU A 37 14.164 -1.077 -1.480 1.00 0.73 H new ATOM 0 HB3 GLU A 37 14.408 -2.311 -0.259 1.00 0.73 H new ATOM 0 HG2 GLU A 37 16.247 -1.858 -2.631 1.00 0.85 H new ATOM 0 HG3 GLU A 37 16.511 -1.195 -1.030 1.00 0.85 H new ATOM 292 N ALA A 38 11.495 -2.423 -1.953 1.00 0.51 N ATOM 293 CA ALA A 38 10.121 -2.558 -1.492 1.00 0.46 C ATOM 294 C ALA A 38 9.518 -3.862 -1.998 1.00 0.42 C ATOM 295 O ALA A 38 8.867 -4.593 -1.246 1.00 0.43 O ATOM 296 CB ALA A 38 9.286 -1.369 -1.945 1.00 0.50 C ATOM 0 H ALA A 38 11.665 -1.614 -2.551 1.00 0.51 H new ATOM 0 HA ALA A 38 10.122 -2.579 -0.402 1.00 0.46 H new ATOM 0 HB1 ALA A 38 8.262 -1.488 -1.591 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.708 -0.451 -1.535 1.00 0.50 H new ATOM 0 HB3 ALA A 38 9.290 -1.315 -3.034 1.00 0.50 H new ATOM 302 N ARG A 39 9.762 -4.174 -3.263 1.00 0.43 N ATOM 303 CA ARG A 39 9.246 -5.403 -3.838 1.00 0.45 C ATOM 304 C ARG A 39 10.004 -6.609 -3.296 1.00 0.45 C ATOM 305 O ARG A 39 9.454 -7.693 -3.229 1.00 0.49 O ATOM 306 CB ARG A 39 9.321 -5.382 -5.363 1.00 0.53 C ATOM 307 CG ARG A 39 8.617 -6.568 -6.014 1.00 0.60 C ATOM 308 CD ARG A 39 8.790 -6.556 -7.523 1.00 0.77 C ATOM 309 NE ARG A 39 8.042 -5.466 -8.151 1.00 1.46 N ATOM 310 CZ ARG A 39 8.563 -4.606 -9.026 1.00 1.90 C ATOM 311 NH1 ARG A 39 9.843 -4.694 -9.371 1.00 1.82 N ATOM 312 NH2 ARG A 39 7.798 -3.656 -9.557 1.00 2.96 N ATOM 0 H ARG A 39 10.309 -3.598 -3.903 1.00 0.43 H new ATOM 0 HA ARG A 39 8.198 -5.483 -3.551 1.00 0.45 H new ATOM 0 HB2 ARG A 39 8.876 -4.457 -5.730 1.00 0.53 H new ATOM 0 HB3 ARG A 39 10.367 -5.376 -5.669 1.00 0.53 H new ATOM 0 HG2 ARG A 39 9.016 -7.497 -5.608 1.00 0.60 H new ATOM 0 HG3 ARG A 39 7.555 -6.543 -5.768 1.00 0.60 H new ATOM 0 HD2 ARG A 39 9.848 -6.457 -7.766 1.00 0.77 H new ATOM 0 HD3 ARG A 39 8.456 -7.509 -7.934 1.00 0.77 H new ATOM 0 HE ARG A 39 7.059 -5.357 -7.903 1.00 1.46 H new ATOM 0 HH11 ARG A 39 10.431 -5.422 -8.966 1.00 1.82 H new ATOM 0 HH12 ARG A 39 10.237 -4.034 -10.041 1.00 1.82 H new ATOM 0 HH21 ARG A 39 6.815 -3.587 -9.294 1.00 2.96 H new ATOM 0 HH22 ARG A 39 8.195 -2.997 -10.227 1.00 2.96 H new ATOM 326 N LYS A 40 11.260 -6.423 -2.901 1.00 0.49 N ATOM 327 CA LYS A 40 12.049 -7.525 -2.348 1.00 0.55 C ATOM 328 C LYS A 40 11.336 -8.119 -1.140 1.00 0.49 C ATOM 329 O LYS A 40 11.278 -9.336 -0.969 1.00 0.54 O ATOM 330 CB LYS A 40 13.457 -7.064 -1.937 1.00 0.70 C ATOM 331 CG LYS A 40 14.248 -6.382 -3.045 1.00 0.85 C ATOM 332 CD LYS A 40 14.188 -7.155 -4.345 1.00 1.27 C ATOM 333 CE LYS A 40 14.972 -6.454 -5.442 1.00 1.34 C ATOM 334 NZ LYS A 40 14.805 -7.115 -6.762 1.00 1.88 N ATOM 0 H LYS A 40 11.751 -5.531 -2.951 1.00 0.49 H new ATOM 0 HA LYS A 40 12.153 -8.281 -3.126 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.369 -6.377 -1.095 1.00 0.70 H new ATOM 0 HB3 LYS A 40 14.020 -7.928 -1.585 1.00 0.70 H new ATOM 0 HG2 LYS A 40 13.857 -5.377 -3.203 1.00 0.85 H new ATOM 0 HG3 LYS A 40 15.287 -6.275 -2.735 1.00 0.85 H new ATOM 0 HD2 LYS A 40 14.588 -8.157 -4.193 1.00 1.27 H new ATOM 0 HD3 LYS A 40 13.149 -7.270 -4.654 1.00 1.27 H new ATOM 0 HE2 LYS A 40 14.645 -5.417 -5.513 1.00 1.34 H new ATOM 0 HE3 LYS A 40 16.029 -6.438 -5.177 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 14.975 -6.424 -7.520 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 15.486 -7.897 -6.847 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 13.838 -7.488 -6.844 1.00 1.88 H new ATOM 348 N MET A 41 10.772 -7.245 -0.321 1.00 0.45 N ATOM 349 CA MET A 41 10.029 -7.671 0.854 1.00 0.46 C ATOM 350 C MET A 41 8.636 -8.145 0.477 1.00 0.41 C ATOM 351 O MET A 41 8.209 -9.218 0.894 1.00 0.46 O ATOM 352 CB MET A 41 9.933 -6.537 1.869 1.00 0.57 C ATOM 353 CG MET A 41 11.226 -6.289 2.618 1.00 0.89 C ATOM 354 SD MET A 41 11.684 -7.675 3.677 1.00 1.10 S ATOM 355 CE MET A 41 13.191 -7.053 4.415 1.00 1.68 C ATOM 0 H MET A 41 10.815 -6.234 -0.449 1.00 0.45 H new ATOM 0 HA MET A 41 10.569 -8.505 1.303 1.00 0.46 H new ATOM 0 HB2 MET A 41 9.639 -5.622 1.354 1.00 0.57 H new ATOM 0 HB3 MET A 41 9.145 -6.767 2.586 1.00 0.57 H new ATOM 0 HG2 MET A 41 12.027 -6.102 1.903 1.00 0.89 H new ATOM 0 HG3 MET A 41 11.124 -5.390 3.225 1.00 0.89 H new ATOM 0 HE1 MET A 41 13.699 -7.861 4.941 1.00 1.68 H new ATOM 0 HE2 MET A 41 13.844 -6.662 3.635 1.00 1.68 H new ATOM 0 HE3 MET A 41 12.950 -6.257 5.119 1.00 1.68 H new ATOM 365 N ALA A 42 7.938 -7.348 -0.323 1.00 0.37 N ATOM 366 CA ALA A 42 6.555 -7.643 -0.687 1.00 0.39 C ATOM 367 C ALA A 42 6.444 -8.907 -1.532 1.00 0.42 C ATOM 368 O ALA A 42 5.467 -9.646 -1.420 1.00 0.49 O ATOM 369 CB ALA A 42 5.936 -6.469 -1.418 1.00 0.43 C ATOM 0 H ALA A 42 8.307 -6.490 -0.734 1.00 0.37 H new ATOM 0 HA ALA A 42 6.007 -7.817 0.239 1.00 0.39 H new ATOM 0 HB1 ALA A 42 4.905 -6.707 -1.681 1.00 0.43 H new ATOM 0 HB2 ALA A 42 5.952 -5.590 -0.774 1.00 0.43 H new ATOM 0 HB3 ALA A 42 6.504 -6.265 -2.325 1.00 0.43 H new ATOM 375 N GLU A 43 7.442 -9.150 -2.373 1.00 0.45 N ATOM 376 CA GLU A 43 7.466 -10.338 -3.212 1.00 0.59 C ATOM 377 C GLU A 43 7.492 -11.577 -2.327 1.00 0.63 C ATOM 378 O GLU A 43 6.664 -12.476 -2.462 1.00 0.75 O ATOM 379 CB GLU A 43 8.695 -10.319 -4.128 1.00 0.71 C ATOM 380 CG GLU A 43 8.460 -10.919 -5.506 1.00 0.87 C ATOM 381 CD GLU A 43 8.170 -12.402 -5.471 1.00 1.66 C ATOM 382 OE1 GLU A 43 6.982 -12.784 -5.512 1.00 2.36 O ATOM 383 OE2 GLU A 43 9.131 -13.196 -5.423 1.00 2.41 O ATOM 0 H GLU A 43 8.248 -8.536 -2.491 1.00 0.45 H new ATOM 0 HA GLU A 43 6.573 -10.355 -3.836 1.00 0.59 H new ATOM 0 HB2 GLU A 43 9.029 -9.288 -4.246 1.00 0.71 H new ATOM 0 HB3 GLU A 43 9.504 -10.863 -3.641 1.00 0.71 H new ATOM 0 HG2 GLU A 43 7.625 -10.404 -5.981 1.00 0.87 H new ATOM 0 HG3 GLU A 43 9.339 -10.742 -6.126 1.00 0.87 H new ATOM 390 N LYS A 44 8.430 -11.594 -1.386 1.00 0.60 N ATOM 391 CA LYS A 44 8.568 -12.719 -0.465 1.00 0.70 C ATOM 392 C LYS A 44 7.420 -12.748 0.543 1.00 0.66 C ATOM 393 O LYS A 44 7.091 -13.797 1.093 1.00 0.75 O ATOM 394 CB LYS A 44 9.913 -12.665 0.268 1.00 0.81 C ATOM 395 CG LYS A 44 11.091 -13.192 -0.546 1.00 1.39 C ATOM 396 CD LYS A 44 11.358 -12.352 -1.785 1.00 2.35 C ATOM 397 CE LYS A 44 12.514 -12.907 -2.600 1.00 3.19 C ATOM 398 NZ LYS A 44 13.780 -12.943 -1.825 1.00 3.63 N ATOM 0 H LYS A 44 9.105 -10.844 -1.240 1.00 0.60 H new ATOM 0 HA LYS A 44 8.531 -13.634 -1.055 1.00 0.70 H new ATOM 0 HB2 LYS A 44 10.117 -11.633 0.555 1.00 0.81 H new ATOM 0 HB3 LYS A 44 9.835 -13.242 1.189 1.00 0.81 H new ATOM 0 HG2 LYS A 44 11.984 -13.207 0.079 1.00 1.39 H new ATOM 0 HG3 LYS A 44 10.892 -14.222 -0.844 1.00 1.39 H new ATOM 0 HD2 LYS A 44 10.460 -12.318 -2.402 1.00 2.35 H new ATOM 0 HD3 LYS A 44 11.580 -11.327 -1.489 1.00 2.35 H new ATOM 0 HE2 LYS A 44 12.268 -13.914 -2.938 1.00 3.19 H new ATOM 0 HE3 LYS A 44 12.653 -12.297 -3.492 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 14.575 -13.132 -2.468 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 13.925 -12.027 -1.355 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 13.727 -13.695 -1.109 1.00 3.63 H new ATOM 412 N ALA A 45 6.810 -11.592 0.776 1.00 0.57 N ATOM 413 CA ALA A 45 5.673 -11.496 1.683 1.00 0.59 C ATOM 414 C ALA A 45 4.386 -11.907 0.980 1.00 0.59 C ATOM 415 O ALA A 45 3.324 -11.992 1.600 1.00 0.66 O ATOM 416 CB ALA A 45 5.551 -10.087 2.240 1.00 0.56 C ATOM 0 H ALA A 45 7.084 -10.707 0.349 1.00 0.57 H new ATOM 0 HA ALA A 45 5.841 -12.181 2.514 1.00 0.59 H new ATOM 0 HB1 ALA A 45 4.697 -10.035 2.915 1.00 0.56 H new ATOM 0 HB2 ALA A 45 6.460 -9.831 2.785 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.409 -9.383 1.420 1.00 0.56 H new ATOM 422 N ASN A 46 4.505 -12.159 -0.323 1.00 0.56 N ATOM 423 CA ASN A 46 3.386 -12.589 -1.161 1.00 0.60 C ATOM 424 C ASN A 46 2.304 -11.524 -1.214 1.00 0.54 C ATOM 425 O ASN A 46 1.118 -11.827 -1.339 1.00 0.63 O ATOM 426 CB ASN A 46 2.797 -13.919 -0.675 1.00 0.76 C ATOM 427 CG ASN A 46 3.789 -15.064 -0.747 1.00 1.41 C ATOM 428 OD1 ASN A 46 4.502 -15.347 0.218 1.00 2.03 O ATOM 429 ND2 ASN A 46 3.846 -15.730 -1.890 1.00 2.18 N ATOM 0 H ASN A 46 5.386 -12.070 -0.830 1.00 0.56 H new ATOM 0 HA ASN A 46 3.776 -12.740 -2.168 1.00 0.60 H new ATOM 0 HB2 ASN A 46 2.455 -13.805 0.354 1.00 0.76 H new ATOM 0 HB3 ASN A 46 1.922 -14.165 -1.276 1.00 0.76 H new ATOM 0 HD21 ASN A 46 4.497 -16.508 -1.995 1.00 2.18 H new ATOM 0 HD22 ASN A 46 3.239 -15.465 -2.666 1.00 2.18 H new ATOM 436 N LEU A 47 2.723 -10.275 -1.128 1.00 0.44 N ATOM 437 CA LEU A 47 1.799 -9.162 -1.176 1.00 0.42 C ATOM 438 C LEU A 47 1.542 -8.766 -2.619 1.00 0.41 C ATOM 439 O LEU A 47 2.469 -8.730 -3.430 1.00 0.58 O ATOM 440 CB LEU A 47 2.363 -7.958 -0.423 1.00 0.43 C ATOM 441 CG LEU A 47 2.805 -8.210 1.018 1.00 0.45 C ATOM 442 CD1 LEU A 47 3.365 -6.935 1.626 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.652 -8.731 1.855 1.00 0.59 C ATOM 0 H LEU A 47 3.702 -10.007 -1.024 1.00 0.44 H new ATOM 0 HA LEU A 47 0.867 -9.473 -0.704 1.00 0.42 H new ATOM 0 HB2 LEU A 47 3.217 -7.574 -0.981 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.607 -7.173 -0.417 1.00 0.43 H new ATOM 0 HG LEU A 47 3.587 -8.969 1.008 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.676 -7.128 2.653 1.00 0.47 H new ATOM 0 HD12 LEU A 47 4.223 -6.600 1.043 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.598 -6.161 1.619 1.00 0.47 H new ATOM 0 HD21 LEU A 47 1.992 -8.902 2.876 1.00 0.59 H new ATOM 0 HD22 LEU A 47 0.845 -7.998 1.859 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.289 -9.667 1.431 1.00 0.59 H new ATOM 455 N ILE A 48 0.290 -8.475 -2.938 1.00 0.30 N ATOM 456 CA ILE A 48 -0.051 -7.986 -4.263 1.00 0.32 C ATOM 457 C ILE A 48 0.396 -6.535 -4.397 1.00 0.32 C ATOM 458 O ILE A 48 -0.282 -5.616 -3.934 1.00 0.33 O ATOM 459 CB ILE A 48 -1.565 -8.101 -4.550 1.00 0.36 C ATOM 460 CG1 ILE A 48 -2.016 -9.560 -4.425 1.00 0.40 C ATOM 461 CG2 ILE A 48 -1.892 -7.556 -5.938 1.00 0.43 C ATOM 462 CD1 ILE A 48 -3.494 -9.771 -4.680 1.00 0.53 C ATOM 0 H ILE A 48 -0.501 -8.568 -2.301 1.00 0.30 H new ATOM 0 HA ILE A 48 0.467 -8.606 -4.995 1.00 0.32 H new ATOM 0 HB ILE A 48 -2.105 -7.504 -3.815 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -1.446 -10.167 -5.128 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.775 -9.920 -3.425 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -2.963 -7.646 -6.121 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.601 -6.507 -5.995 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -1.346 -8.125 -6.690 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -3.734 -10.829 -4.573 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -4.074 -9.192 -3.961 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -3.739 -9.444 -5.690 1.00 0.53 H new ATOM 474 N LEU A 49 1.560 -6.346 -4.999 1.00 0.34 N ATOM 475 CA LEU A 49 2.145 -5.025 -5.144 1.00 0.35 C ATOM 476 C LEU A 49 1.623 -4.336 -6.391 1.00 0.35 C ATOM 477 O LEU A 49 1.704 -4.878 -7.496 1.00 0.44 O ATOM 478 CB LEU A 49 3.674 -5.120 -5.204 1.00 0.44 C ATOM 479 CG LEU A 49 4.410 -3.795 -5.433 1.00 0.58 C ATOM 480 CD1 LEU A 49 4.237 -2.860 -4.246 1.00 0.90 C ATOM 481 CD2 LEU A 49 5.885 -4.044 -5.697 1.00 1.14 C ATOM 0 H LEU A 49 2.121 -7.099 -5.398 1.00 0.34 H new ATOM 0 HA LEU A 49 1.859 -4.434 -4.274 1.00 0.35 H new ATOM 0 HB2 LEU A 49 4.030 -5.557 -4.271 1.00 0.44 H new ATOM 0 HB3 LEU A 49 3.947 -5.810 -6.003 1.00 0.44 H new ATOM 0 HG LEU A 49 3.973 -3.316 -6.309 1.00 0.58 H new ATOM 0 HD11 LEU A 49 4.770 -1.928 -4.436 1.00 0.90 H new ATOM 0 HD12 LEU A 49 3.178 -2.649 -4.100 1.00 0.90 H new ATOM 0 HD13 LEU A 49 4.640 -3.332 -3.350 1.00 0.90 H new ATOM 0 HD21 LEU A 49 6.392 -3.092 -5.857 1.00 1.14 H new ATOM 0 HD22 LEU A 49 6.328 -4.551 -4.839 1.00 1.14 H new ATOM 0 HD23 LEU A 49 5.996 -4.668 -6.584 1.00 1.14 H new ATOM 493 N ILE A 50 1.079 -3.147 -6.208 1.00 0.33 N ATOM 494 CA ILE A 50 0.637 -2.330 -7.320 1.00 0.34 C ATOM 495 C ILE A 50 1.424 -1.023 -7.329 1.00 0.32 C ATOM 496 O ILE A 50 1.135 -0.104 -6.562 1.00 0.36 O ATOM 497 CB ILE A 50 -0.874 -2.025 -7.242 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.663 -3.299 -6.920 1.00 0.48 C ATOM 499 CG2 ILE A 50 -1.351 -1.430 -8.560 1.00 0.46 C ATOM 500 CD1 ILE A 50 -3.141 -3.062 -6.687 1.00 0.94 C ATOM 0 H ILE A 50 0.932 -2.724 -5.291 1.00 0.33 H new ATOM 0 HA ILE A 50 0.816 -2.886 -8.240 1.00 0.34 H new ATOM 0 HB ILE A 50 -1.045 -1.303 -6.443 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -1.543 -4.006 -7.741 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -1.235 -3.765 -6.032 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -2.418 -1.217 -8.498 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.808 -0.506 -8.760 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -1.169 -2.140 -9.367 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -3.631 -4.010 -6.465 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -3.272 -2.380 -5.847 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -3.585 -2.625 -7.581 1.00 0.94 H new ATOM 512 N THR A 51 2.434 -0.961 -8.181 1.00 0.32 N ATOM 513 CA THR A 51 3.314 0.194 -8.245 1.00 0.35 C ATOM 514 C THR A 51 2.716 1.273 -9.144 1.00 0.38 C ATOM 515 O THR A 51 2.464 1.034 -10.327 1.00 0.55 O ATOM 516 CB THR A 51 4.702 -0.214 -8.778 1.00 0.47 C ATOM 517 OG1 THR A 51 5.149 -1.402 -8.108 1.00 1.17 O ATOM 518 CG2 THR A 51 5.717 0.898 -8.563 1.00 0.89 C ATOM 0 H THR A 51 2.666 -1.702 -8.842 1.00 0.32 H new ATOM 0 HA THR A 51 3.424 0.593 -7.237 1.00 0.35 H new ATOM 0 HB THR A 51 4.614 -0.403 -9.848 1.00 0.47 H new ATOM 0 HG1 THR A 51 6.030 -1.659 -8.451 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.687 0.584 -8.948 1.00 0.89 H new ATOM 0 HG22 THR A 51 5.391 1.795 -9.089 1.00 0.89 H new ATOM 0 HG23 THR A 51 5.801 1.113 -7.498 1.00 0.89 H new ATOM 526 N VAL A 52 2.478 2.453 -8.584 1.00 0.39 N ATOM 527 CA VAL A 52 1.885 3.553 -9.331 1.00 0.49 C ATOM 528 C VAL A 52 2.617 4.859 -9.040 1.00 0.58 C ATOM 529 O VAL A 52 3.394 4.941 -8.089 1.00 0.80 O ATOM 530 CB VAL A 52 0.385 3.719 -8.996 1.00 0.59 C ATOM 531 CG1 VAL A 52 -0.447 2.653 -9.692 1.00 1.38 C ATOM 532 CG2 VAL A 52 0.165 3.659 -7.493 1.00 1.04 C ATOM 0 H VAL A 52 2.688 2.672 -7.610 1.00 0.39 H new ATOM 0 HA VAL A 52 1.981 3.314 -10.390 1.00 0.49 H new ATOM 0 HB VAL A 52 0.064 4.696 -9.358 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -1.499 2.791 -9.441 1.00 1.38 H new ATOM 0 HG12 VAL A 52 -0.318 2.737 -10.771 1.00 1.38 H new ATOM 0 HG13 VAL A 52 -0.122 1.666 -9.364 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -0.896 3.778 -7.276 1.00 1.04 H new ATOM 0 HG22 VAL A 52 0.508 2.697 -7.113 1.00 1.04 H new ATOM 0 HG23 VAL A 52 0.726 4.460 -7.011 1.00 1.04 H new ATOM 542 N GLY A 53 2.391 5.871 -9.869 1.00 0.66 N ATOM 543 CA GLY A 53 3.002 7.164 -9.627 1.00 0.75 C ATOM 544 C GLY A 53 2.144 8.313 -10.115 1.00 0.81 C ATOM 545 O GLY A 53 2.207 8.672 -11.290 1.00 1.24 O ATOM 0 H GLY A 53 1.800 5.821 -10.699 1.00 0.66 H new ATOM 0 HA2 GLY A 53 3.186 7.281 -8.559 1.00 0.75 H new ATOM 0 HA3 GLY A 53 3.971 7.203 -10.124 1.00 0.75 H new ATOM 549 N ASP A 54 1.383 8.884 -9.173 1.00 0.71 N ATOM 550 CA ASP A 54 0.456 10.014 -9.383 1.00 0.82 C ATOM 551 C ASP A 54 -0.773 9.795 -8.507 1.00 0.70 C ATOM 552 O ASP A 54 -1.095 8.652 -8.182 1.00 0.64 O ATOM 553 CB ASP A 54 -0.006 10.173 -10.840 1.00 1.08 C ATOM 554 CG ASP A 54 -0.823 11.430 -11.059 1.00 1.34 C ATOM 555 OD1 ASP A 54 -2.064 11.366 -10.960 1.00 1.75 O ATOM 556 OD2 ASP A 54 -0.226 12.496 -11.325 1.00 1.98 O ATOM 0 H ASP A 54 1.393 8.563 -8.205 1.00 0.71 H new ATOM 0 HA ASP A 54 0.997 10.924 -9.122 1.00 0.82 H new ATOM 0 HB2 ASP A 54 0.866 10.193 -11.494 1.00 1.08 H new ATOM 0 HB3 ASP A 54 -0.599 9.304 -11.126 1.00 1.08 H new ATOM 561 N GLU A 55 -1.460 10.860 -8.124 1.00 0.80 N ATOM 562 CA GLU A 55 -2.645 10.729 -7.283 1.00 0.79 C ATOM 563 C GLU A 55 -3.732 9.940 -7.997 1.00 0.69 C ATOM 564 O GLU A 55 -4.339 9.035 -7.421 1.00 0.71 O ATOM 565 CB GLU A 55 -3.188 12.100 -6.883 1.00 0.95 C ATOM 566 CG GLU A 55 -2.321 12.832 -5.870 1.00 0.90 C ATOM 567 CD GLU A 55 -0.925 13.123 -6.378 1.00 1.53 C ATOM 568 OE1 GLU A 55 -0.789 13.818 -7.406 1.00 2.16 O ATOM 569 OE2 GLU A 55 0.047 12.668 -5.744 1.00 2.21 O ATOM 0 H GLU A 55 -1.222 11.819 -8.378 1.00 0.80 H new ATOM 0 HA GLU A 55 -2.349 10.191 -6.382 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -3.286 12.717 -7.777 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -4.189 11.977 -6.469 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -2.805 13.770 -5.599 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -2.252 12.234 -4.961 1.00 0.90 H new ATOM 576 N GLU A 56 -3.952 10.267 -9.263 1.00 0.70 N ATOM 577 CA GLU A 56 -4.977 9.603 -10.049 1.00 0.70 C ATOM 578 C GLU A 56 -4.561 8.170 -10.341 1.00 0.66 C ATOM 579 O GLU A 56 -5.401 7.288 -10.482 1.00 0.67 O ATOM 580 CB GLU A 56 -5.231 10.363 -11.349 1.00 0.82 C ATOM 581 CG GLU A 56 -5.717 11.787 -11.134 1.00 0.93 C ATOM 582 CD GLU A 56 -7.037 11.851 -10.392 1.00 1.33 C ATOM 583 OE1 GLU A 56 -7.980 11.129 -10.785 1.00 2.04 O ATOM 584 OE2 GLU A 56 -7.144 12.642 -9.430 1.00 1.89 O ATOM 0 H GLU A 56 -3.434 10.988 -9.765 1.00 0.70 H new ATOM 0 HA GLU A 56 -5.904 9.589 -9.476 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -4.311 10.386 -11.933 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -5.970 9.821 -11.939 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -4.964 12.343 -10.575 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -5.824 12.279 -12.101 1.00 0.93 H new ATOM 591 N GLU A 57 -3.255 7.945 -10.409 1.00 0.65 N ATOM 592 CA GLU A 57 -2.722 6.608 -10.614 1.00 0.65 C ATOM 593 C GLU A 57 -2.916 5.755 -9.368 1.00 0.55 C ATOM 594 O GLU A 57 -3.149 4.550 -9.461 1.00 0.52 O ATOM 595 CB GLU A 57 -1.247 6.664 -11.001 1.00 0.73 C ATOM 596 CG GLU A 57 -1.026 7.139 -12.426 1.00 1.11 C ATOM 597 CD GLU A 57 -1.682 6.224 -13.435 1.00 1.52 C ATOM 598 OE1 GLU A 57 -2.843 6.484 -13.816 1.00 2.13 O ATOM 599 OE2 GLU A 57 -1.045 5.232 -13.847 1.00 2.16 O ATOM 0 H GLU A 57 -2.546 8.673 -10.325 1.00 0.65 H new ATOM 0 HA GLU A 57 -3.272 6.147 -11.435 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -0.722 7.330 -10.316 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -0.808 5.674 -10.882 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -1.424 8.147 -12.538 1.00 1.11 H new ATOM 0 HG3 GLU A 57 0.044 7.194 -12.628 1.00 1.11 H new ATOM 606 N LEU A 58 -2.840 6.378 -8.199 1.00 0.52 N ATOM 607 CA LEU A 58 -3.126 5.674 -6.959 1.00 0.48 C ATOM 608 C LEU A 58 -4.594 5.279 -6.930 1.00 0.46 C ATOM 609 O LEU A 58 -4.957 4.253 -6.368 1.00 0.44 O ATOM 610 CB LEU A 58 -2.778 6.527 -5.733 1.00 0.52 C ATOM 611 CG LEU A 58 -2.877 5.796 -4.387 1.00 0.55 C ATOM 612 CD1 LEU A 58 -1.907 4.622 -4.334 1.00 0.83 C ATOM 613 CD2 LEU A 58 -2.610 6.750 -3.235 1.00 0.74 C ATOM 0 H LEU A 58 -2.585 7.359 -8.085 1.00 0.52 H new ATOM 0 HA LEU A 58 -2.505 4.779 -6.920 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -1.763 6.907 -5.849 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -3.442 7.391 -5.710 1.00 0.52 H new ATOM 0 HG LEU A 58 -3.892 5.410 -4.290 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -1.996 4.120 -3.371 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -2.143 3.919 -5.133 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -0.888 4.986 -4.461 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -2.685 6.211 -2.291 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -1.609 7.169 -3.334 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -3.344 7.556 -3.252 1.00 0.74 H new ATOM 625 N LYS A 59 -5.431 6.087 -7.573 1.00 0.52 N ATOM 626 CA LYS A 59 -6.858 5.794 -7.670 1.00 0.57 C ATOM 627 C LYS A 59 -7.109 4.576 -8.544 1.00 0.51 C ATOM 628 O LYS A 59 -8.164 3.946 -8.477 1.00 0.58 O ATOM 629 CB LYS A 59 -7.622 7.006 -8.200 1.00 0.69 C ATOM 630 CG LYS A 59 -7.518 8.223 -7.295 1.00 0.76 C ATOM 631 CD LYS A 59 -8.291 9.403 -7.856 1.00 0.97 C ATOM 632 CE LYS A 59 -8.214 10.609 -6.937 1.00 1.64 C ATOM 633 NZ LYS A 59 -8.810 10.334 -5.602 1.00 2.26 N ATOM 0 H LYS A 59 -5.146 6.951 -8.035 1.00 0.52 H new ATOM 0 HA LYS A 59 -7.223 5.568 -6.668 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -7.242 7.263 -9.189 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -8.672 6.741 -8.322 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -7.900 7.975 -6.305 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -6.470 8.498 -7.173 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -7.894 9.666 -8.836 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -9.334 9.120 -8.000 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -7.172 10.905 -6.814 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -8.732 11.450 -7.399 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -8.954 11.230 -5.095 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -9.725 9.854 -5.722 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -8.169 9.725 -5.054 1.00 2.26 H new ATOM 647 N LYS A 60 -6.123 4.241 -9.348 1.00 0.49 N ATOM 648 CA LYS A 60 -6.198 3.080 -10.214 1.00 0.48 C ATOM 649 C LYS A 60 -5.787 1.840 -9.440 1.00 0.41 C ATOM 650 O LYS A 60 -6.309 0.750 -9.659 1.00 0.41 O ATOM 651 CB LYS A 60 -5.276 3.282 -11.403 1.00 0.58 C ATOM 652 CG LYS A 60 -5.350 4.686 -11.957 1.00 0.72 C ATOM 653 CD LYS A 60 -6.594 4.905 -12.795 1.00 1.19 C ATOM 654 CE LYS A 60 -6.518 6.218 -13.556 1.00 1.91 C ATOM 655 NZ LYS A 60 -5.401 6.221 -14.541 1.00 2.35 N ATOM 0 H LYS A 60 -5.249 4.762 -9.421 1.00 0.49 H new ATOM 0 HA LYS A 60 -7.220 2.951 -10.570 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -4.250 3.066 -11.105 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -5.537 2.571 -12.187 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -5.338 5.401 -11.134 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -4.466 4.883 -12.563 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -6.712 4.080 -13.498 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -7.474 4.904 -12.152 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -7.461 6.393 -14.075 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -6.384 7.039 -12.852 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -5.547 6.987 -15.229 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -4.500 6.369 -14.043 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -5.375 5.309 -15.040 1.00 2.35 H new ATOM 669 N ALA A 61 -4.848 2.026 -8.522 1.00 0.40 N ATOM 670 CA ALA A 61 -4.358 0.945 -7.688 1.00 0.39 C ATOM 671 C ALA A 61 -5.323 0.670 -6.540 1.00 0.32 C ATOM 672 O ALA A 61 -5.624 -0.481 -6.232 1.00 0.34 O ATOM 673 CB ALA A 61 -2.978 1.289 -7.155 1.00 0.47 C ATOM 0 H ALA A 61 -4.408 2.928 -8.338 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.287 0.041 -8.292 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.616 0.473 -6.529 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.293 1.438 -7.989 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -3.034 2.203 -6.563 1.00 0.47 H new ATOM 679 N ILE A 62 -5.809 1.739 -5.920 1.00 0.31 N ATOM 680 CA ILE A 62 -6.773 1.634 -4.830 1.00 0.37 C ATOM 681 C ILE A 62 -8.047 0.935 -5.300 1.00 0.36 C ATOM 682 O ILE A 62 -8.509 -0.018 -4.673 1.00 0.38 O ATOM 683 CB ILE A 62 -7.120 3.028 -4.252 1.00 0.49 C ATOM 684 CG1 ILE A 62 -5.922 3.600 -3.486 1.00 0.45 C ATOM 685 CG2 ILE A 62 -8.342 2.959 -3.344 1.00 0.83 C ATOM 686 CD1 ILE A 62 -6.136 5.013 -2.987 1.00 0.53 C ATOM 0 H ILE A 62 -5.549 2.697 -6.156 1.00 0.31 H new ATOM 0 HA ILE A 62 -6.313 1.039 -4.041 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.355 3.689 -5.086 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -5.703 2.953 -2.636 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -5.046 3.582 -4.134 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -8.561 3.953 -2.953 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -9.198 2.596 -3.913 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -8.142 2.279 -2.516 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -5.246 5.350 -2.455 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -6.324 5.673 -3.834 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -6.992 5.035 -2.313 1.00 0.53 H new ATOM 698 N LYS A 63 -8.598 1.397 -6.417 1.00 0.37 N ATOM 699 CA LYS A 63 -9.811 0.805 -6.966 1.00 0.40 C ATOM 700 C LYS A 63 -9.545 -0.625 -7.427 1.00 0.35 C ATOM 701 O LYS A 63 -10.435 -1.477 -7.383 1.00 0.40 O ATOM 702 CB LYS A 63 -10.338 1.650 -8.130 1.00 0.49 C ATOM 703 CG LYS A 63 -11.642 1.151 -8.751 1.00 0.59 C ATOM 704 CD LYS A 63 -12.881 1.625 -7.992 1.00 1.21 C ATOM 705 CE LYS A 63 -13.167 0.797 -6.745 1.00 1.94 C ATOM 706 NZ LYS A 63 -13.376 -0.643 -7.060 1.00 2.76 N ATOM 0 H LYS A 63 -8.225 2.177 -6.958 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.569 0.781 -6.183 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -10.487 2.671 -7.780 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -9.574 1.688 -8.907 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -11.701 1.494 -9.784 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -11.633 0.061 -8.777 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -12.748 2.668 -7.706 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -13.745 1.583 -8.655 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -12.336 0.897 -6.046 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -14.053 1.190 -6.246 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -13.857 -1.106 -6.263 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -13.961 -0.730 -7.915 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -12.456 -1.100 -7.222 1.00 2.76 H new ATOM 720 N LYS A 64 -8.312 -0.879 -7.857 1.00 0.34 N ATOM 721 CA LYS A 64 -7.899 -2.211 -8.278 1.00 0.39 C ATOM 722 C LYS A 64 -7.869 -3.156 -7.083 1.00 0.35 C ATOM 723 O LYS A 64 -8.453 -4.236 -7.123 1.00 0.40 O ATOM 724 CB LYS A 64 -6.520 -2.148 -8.938 1.00 0.51 C ATOM 725 CG LYS A 64 -6.028 -3.478 -9.487 1.00 1.05 C ATOM 726 CD LYS A 64 -4.701 -3.332 -10.225 1.00 1.04 C ATOM 727 CE LYS A 64 -4.877 -2.832 -11.658 1.00 1.59 C ATOM 728 NZ LYS A 64 -5.449 -1.458 -11.733 1.00 2.11 N ATOM 0 H LYS A 64 -7.578 -0.173 -7.923 1.00 0.34 H new ATOM 0 HA LYS A 64 -8.619 -2.590 -9.003 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -6.552 -1.422 -9.751 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -5.798 -1.779 -8.209 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -5.912 -4.188 -8.668 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -6.776 -3.891 -10.164 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -4.060 -2.640 -9.679 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -4.190 -4.295 -10.240 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -3.911 -2.844 -12.162 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -5.527 -3.520 -12.199 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -5.194 -1.025 -12.643 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -6.485 -1.508 -11.652 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -5.068 -0.881 -10.956 1.00 2.11 H new ATOM 742 N ALA A 65 -7.197 -2.731 -6.018 1.00 0.30 N ATOM 743 CA ALA A 65 -7.117 -3.518 -4.794 1.00 0.30 C ATOM 744 C ALA A 65 -8.511 -3.773 -4.232 1.00 0.33 C ATOM 745 O ALA A 65 -8.828 -4.886 -3.811 1.00 0.38 O ATOM 746 CB ALA A 65 -6.250 -2.806 -3.767 1.00 0.31 C ATOM 0 H ALA A 65 -6.698 -1.842 -5.979 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.660 -4.480 -5.027 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -6.198 -3.404 -2.857 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -5.246 -2.670 -4.170 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.683 -1.833 -3.537 1.00 0.31 H new ATOM 752 N ASP A 66 -9.337 -2.731 -4.246 1.00 0.35 N ATOM 753 CA ASP A 66 -10.732 -2.831 -3.824 1.00 0.41 C ATOM 754 C ASP A 66 -11.458 -3.919 -4.607 1.00 0.40 C ATOM 755 O ASP A 66 -12.154 -4.760 -4.033 1.00 0.47 O ATOM 756 CB ASP A 66 -11.432 -1.484 -4.035 1.00 0.48 C ATOM 757 CG ASP A 66 -12.907 -1.515 -3.683 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.737 -1.736 -4.593 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.248 -1.292 -2.506 1.00 1.36 O ATOM 0 H ASP A 66 -9.061 -1.797 -4.549 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.757 -3.094 -2.766 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -10.936 -0.726 -3.429 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.320 -1.183 -5.077 1.00 0.48 H new ATOM 764 N ASP A 67 -11.267 -3.908 -5.920 1.00 0.36 N ATOM 765 CA ASP A 67 -11.929 -4.863 -6.803 1.00 0.38 C ATOM 766 C ASP A 67 -11.428 -6.282 -6.565 1.00 0.40 C ATOM 767 O ASP A 67 -12.228 -7.206 -6.410 1.00 0.48 O ATOM 768 CB ASP A 67 -11.713 -4.475 -8.266 1.00 0.42 C ATOM 769 CG ASP A 67 -12.264 -5.512 -9.222 1.00 0.95 C ATOM 770 OD1 ASP A 67 -13.501 -5.591 -9.375 1.00 1.66 O ATOM 771 OD2 ASP A 67 -11.461 -6.254 -9.824 1.00 1.68 O ATOM 0 H ASP A 67 -10.657 -3.246 -6.400 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.995 -4.836 -6.577 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -12.191 -3.515 -8.460 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -10.647 -4.343 -8.451 1.00 0.42 H new ATOM 776 N ILE A 68 -10.110 -6.448 -6.521 1.00 0.37 N ATOM 777 CA ILE A 68 -9.510 -7.765 -6.334 1.00 0.41 C ATOM 778 C ILE A 68 -9.920 -8.358 -4.989 1.00 0.41 C ATOM 779 O ILE A 68 -10.170 -9.559 -4.874 1.00 0.47 O ATOM 780 CB ILE A 68 -7.970 -7.705 -6.418 1.00 0.43 C ATOM 781 CG1 ILE A 68 -7.527 -7.120 -7.762 1.00 0.46 C ATOM 782 CG2 ILE A 68 -7.370 -9.093 -6.222 1.00 0.48 C ATOM 783 CD1 ILE A 68 -6.037 -6.870 -7.855 1.00 0.51 C ATOM 0 H ILE A 68 -9.437 -5.687 -6.612 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.876 -8.402 -7.139 1.00 0.41 H new ATOM 0 HB ILE A 68 -7.609 -7.055 -5.621 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -7.823 -7.801 -8.560 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -8.055 -6.182 -7.932 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -6.284 -9.032 -6.284 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -7.656 -9.478 -5.243 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -7.741 -9.763 -6.998 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.798 -6.456 -8.834 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.737 -6.165 -7.080 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -5.501 -7.809 -7.718 1.00 0.51 H new ATOM 795 N ALA A 69 -9.999 -7.507 -3.974 1.00 0.39 N ATOM 796 CA ALA A 69 -10.415 -7.942 -2.652 1.00 0.43 C ATOM 797 C ALA A 69 -11.848 -8.449 -2.679 1.00 0.47 C ATOM 798 O ALA A 69 -12.115 -9.592 -2.328 1.00 0.53 O ATOM 799 CB ALA A 69 -10.273 -6.812 -1.647 1.00 0.46 C ATOM 0 H ALA A 69 -9.780 -6.513 -4.043 1.00 0.39 H new ATOM 0 HA ALA A 69 -9.765 -8.762 -2.345 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -10.590 -7.158 -0.663 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -9.231 -6.494 -1.602 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.896 -5.972 -1.954 1.00 0.46 H new ATOM 805 N LYS A 70 -12.763 -7.597 -3.121 1.00 0.52 N ATOM 806 CA LYS A 70 -14.187 -7.934 -3.158 1.00 0.65 C ATOM 807 C LYS A 70 -14.459 -9.079 -4.108 1.00 0.63 C ATOM 808 O LYS A 70 -15.462 -9.783 -3.975 1.00 0.72 O ATOM 809 CB LYS A 70 -14.988 -6.730 -3.600 1.00 0.87 C ATOM 810 CG LYS A 70 -14.950 -5.573 -2.618 1.00 1.09 C ATOM 811 CD LYS A 70 -15.585 -4.327 -3.204 1.00 1.14 C ATOM 812 CE LYS A 70 -15.664 -3.209 -2.179 1.00 1.14 C ATOM 813 NZ LYS A 70 -16.033 -1.916 -2.807 1.00 1.50 N ATOM 0 H LYS A 70 -12.546 -6.660 -3.462 1.00 0.52 H new ATOM 0 HA LYS A 70 -14.482 -8.236 -2.153 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -14.611 -6.388 -4.564 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -16.025 -7.031 -3.752 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -15.472 -5.853 -1.703 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -13.917 -5.361 -2.343 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -15.006 -3.993 -4.065 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -16.586 -4.563 -3.565 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -16.398 -3.466 -1.416 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -14.703 -3.108 -1.675 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -15.277 -1.221 -2.642 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -16.161 -2.051 -3.830 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -16.920 -1.568 -2.390 1.00 1.50 H new ATOM 827 N LYS A 71 -13.579 -9.243 -5.080 1.00 0.62 N ATOM 828 CA LYS A 71 -13.650 -10.369 -5.982 1.00 0.76 C ATOM 829 C LYS A 71 -13.740 -11.654 -5.177 1.00 0.83 C ATOM 830 O LYS A 71 -14.576 -12.514 -5.451 1.00 1.03 O ATOM 831 CB LYS A 71 -12.414 -10.398 -6.888 1.00 0.84 C ATOM 832 CG LYS A 71 -12.383 -11.556 -7.874 1.00 1.26 C ATOM 833 CD LYS A 71 -11.064 -11.597 -8.631 1.00 1.71 C ATOM 834 CE LYS A 71 -11.031 -12.716 -9.662 1.00 2.27 C ATOM 835 NZ LYS A 71 -11.204 -14.059 -9.045 1.00 2.71 N ATOM 0 H LYS A 71 -12.805 -8.605 -5.262 1.00 0.62 H new ATOM 0 HA LYS A 71 -14.536 -10.274 -6.609 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -12.365 -9.462 -7.444 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -11.522 -10.445 -6.263 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -12.529 -12.495 -7.341 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -13.208 -11.459 -8.580 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -10.902 -10.641 -9.129 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -10.245 -11.731 -7.924 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -11.819 -12.553 -10.397 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -10.083 -12.685 -10.198 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -11.023 -14.794 -9.758 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -10.534 -14.168 -8.257 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -12.176 -14.154 -8.688 1.00 2.71 H new ATOM 849 N GLN A 72 -12.880 -11.779 -4.173 1.00 0.79 N ATOM 850 CA GLN A 72 -12.836 -13.017 -3.404 1.00 1.04 C ATOM 851 C GLN A 72 -12.953 -12.845 -1.877 1.00 1.06 C ATOM 852 O GLN A 72 -13.864 -13.387 -1.258 1.00 1.22 O ATOM 853 CB GLN A 72 -11.552 -13.779 -3.749 1.00 1.24 C ATOM 854 CG GLN A 72 -10.281 -12.956 -3.586 1.00 1.20 C ATOM 855 CD GLN A 72 -9.038 -13.702 -4.026 1.00 1.56 C ATOM 856 OE1 GLN A 72 -9.087 -14.533 -4.933 1.00 2.22 O ATOM 857 NE2 GLN A 72 -7.917 -13.413 -3.389 1.00 1.60 N ATOM 0 H GLN A 72 -12.220 -11.060 -3.878 1.00 0.79 H new ATOM 0 HA GLN A 72 -13.724 -13.579 -3.693 1.00 1.04 H new ATOM 0 HB2 GLN A 72 -11.484 -14.663 -3.114 1.00 1.24 H new ATOM 0 HB3 GLN A 72 -11.616 -14.130 -4.779 1.00 1.24 H new ATOM 0 HG2 GLN A 72 -10.372 -12.037 -4.165 1.00 1.20 H new ATOM 0 HG3 GLN A 72 -10.174 -12.665 -2.541 1.00 1.20 H new ATOM 0 HE21 GLN A 72 -7.919 -12.718 -2.643 1.00 1.60 H new ATOM 0 HE22 GLN A 72 -7.049 -13.885 -3.644 1.00 1.60 H new ATOM 866 N ASN A 73 -12.043 -12.078 -1.282 1.00 1.03 N ATOM 867 CA ASN A 73 -11.798 -12.177 0.160 1.00 1.18 C ATOM 868 C ASN A 73 -12.085 -10.897 0.952 1.00 1.00 C ATOM 869 O ASN A 73 -11.625 -10.765 2.083 1.00 1.24 O ATOM 870 CB ASN A 73 -10.370 -12.673 0.417 1.00 1.56 C ATOM 871 CG ASN A 73 -10.198 -13.283 1.799 1.00 1.73 C ATOM 872 OD1 ASN A 73 -9.768 -12.619 2.740 1.00 2.41 O ATOM 873 ND2 ASN A 73 -10.538 -14.555 1.929 1.00 2.12 N ATOM 0 H ASN A 73 -11.468 -11.388 -1.766 1.00 1.03 H new ATOM 0 HA ASN A 73 -12.520 -12.902 0.535 1.00 1.18 H new ATOM 0 HB2 ASN A 73 -10.106 -13.414 -0.338 1.00 1.56 H new ATOM 0 HB3 ASN A 73 -9.675 -11.841 0.303 1.00 1.56 H new ATOM 0 HD21 ASN A 73 -10.447 -15.017 2.834 1.00 2.12 H new ATOM 0 HD22 ASN A 73 -10.891 -15.073 1.125 1.00 2.12 H new ATOM 880 N SER A 74 -12.795 -9.940 0.371 1.00 1.13 N ATOM 881 CA SER A 74 -12.968 -8.618 0.999 1.00 1.53 C ATOM 882 C SER A 74 -13.668 -8.662 2.374 1.00 1.47 C ATOM 883 O SER A 74 -13.978 -7.613 2.942 1.00 1.93 O ATOM 884 CB SER A 74 -13.721 -7.681 0.056 1.00 2.50 C ATOM 885 OG SER A 74 -13.750 -6.348 0.545 1.00 3.38 O ATOM 0 H SER A 74 -13.262 -10.044 -0.530 1.00 1.13 H new ATOM 0 HA SER A 74 -11.963 -8.239 1.184 1.00 1.53 H new ATOM 0 HB2 SER A 74 -13.248 -7.697 -0.926 1.00 2.50 H new ATOM 0 HB3 SER A 74 -14.741 -8.042 -0.076 1.00 2.50 H new ATOM 0 HG SER A 74 -13.791 -6.360 1.524 1.00 3.38 H new ATOM 891 N SER A 75 -13.913 -9.854 2.914 1.00 1.40 N ATOM 892 CA SER A 75 -14.337 -9.981 4.303 1.00 2.05 C ATOM 893 C SER A 75 -13.283 -9.337 5.208 1.00 1.90 C ATOM 894 O SER A 75 -13.602 -8.713 6.223 1.00 2.43 O ATOM 895 CB SER A 75 -14.548 -11.454 4.658 1.00 2.46 C ATOM 896 OG SER A 75 -13.494 -12.257 4.149 1.00 2.75 O ATOM 0 H SER A 75 -13.826 -10.739 2.414 1.00 1.40 H new ATOM 0 HA SER A 75 -15.287 -9.467 4.449 1.00 2.05 H new ATOM 0 HB2 SER A 75 -14.605 -11.566 5.741 1.00 2.46 H new ATOM 0 HB3 SER A 75 -15.500 -11.797 4.252 1.00 2.46 H new ATOM 0 HG SER A 75 -13.651 -13.194 4.390 1.00 2.75 H new ATOM 902 N GLU A 76 -12.024 -9.491 4.814 1.00 1.26 N ATOM 903 CA GLU A 76 -10.931 -8.729 5.393 1.00 1.12 C ATOM 904 C GLU A 76 -9.921 -8.397 4.308 1.00 0.74 C ATOM 905 O GLU A 76 -9.280 -9.288 3.748 1.00 0.88 O ATOM 906 CB GLU A 76 -10.229 -9.478 6.526 1.00 1.46 C ATOM 907 CG GLU A 76 -9.071 -8.683 7.114 1.00 1.50 C ATOM 908 CD GLU A 76 -8.315 -9.426 8.191 1.00 2.10 C ATOM 909 OE1 GLU A 76 -7.117 -9.717 7.985 1.00 2.76 O ATOM 910 OE2 GLU A 76 -8.897 -9.700 9.259 1.00 2.59 O ATOM 0 H GLU A 76 -11.736 -10.146 4.087 1.00 1.26 H new ATOM 0 HA GLU A 76 -11.356 -7.819 5.818 1.00 1.12 H new ATOM 0 HB2 GLU A 76 -10.950 -9.701 7.312 1.00 1.46 H new ATOM 0 HB3 GLU A 76 -9.859 -10.433 6.153 1.00 1.46 H new ATOM 0 HG2 GLU A 76 -8.380 -8.417 6.314 1.00 1.50 H new ATOM 0 HG3 GLU A 76 -9.454 -7.750 7.528 1.00 1.50 H new ATOM 917 N ALA A 77 -9.788 -7.119 4.008 1.00 0.55 N ATOM 918 CA ALA A 77 -8.850 -6.680 2.995 1.00 0.44 C ATOM 919 C ALA A 77 -7.809 -5.757 3.604 1.00 0.37 C ATOM 920 O ALA A 77 -8.112 -4.633 3.999 1.00 0.42 O ATOM 921 CB ALA A 77 -9.584 -5.990 1.857 1.00 0.71 C ATOM 0 H ALA A 77 -10.317 -6.368 4.451 1.00 0.55 H new ATOM 0 HA ALA A 77 -8.338 -7.553 2.591 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -8.865 -5.666 1.104 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -10.293 -6.685 1.407 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -10.121 -5.123 2.243 1.00 0.71 H new ATOM 927 N LYS A 78 -6.586 -6.243 3.698 1.00 0.35 N ATOM 928 CA LYS A 78 -5.497 -5.449 4.233 1.00 0.37 C ATOM 929 C LYS A 78 -4.683 -4.845 3.101 1.00 0.33 C ATOM 930 O LYS A 78 -4.175 -5.561 2.236 1.00 0.37 O ATOM 931 CB LYS A 78 -4.605 -6.299 5.140 1.00 0.50 C ATOM 932 CG LYS A 78 -5.146 -6.474 6.552 1.00 0.63 C ATOM 933 CD LYS A 78 -4.284 -7.431 7.361 1.00 0.89 C ATOM 934 CE LYS A 78 -4.593 -7.352 8.850 1.00 1.04 C ATOM 935 NZ LYS A 78 -6.042 -7.504 9.139 1.00 1.67 N ATOM 0 H LYS A 78 -6.322 -7.185 3.410 1.00 0.35 H new ATOM 0 HA LYS A 78 -5.918 -4.640 4.830 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.475 -7.282 4.687 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -3.618 -5.840 5.194 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -5.185 -5.506 7.051 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -6.168 -6.851 6.508 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -4.446 -8.450 7.010 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -3.232 -7.200 7.196 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -4.038 -8.129 9.375 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -4.247 -6.395 9.239 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -6.165 -7.972 10.060 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -6.491 -6.566 9.164 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -6.486 -8.080 8.396 1.00 1.67 H new ATOM 949 N ILE A 79 -4.578 -3.527 3.102 1.00 0.29 N ATOM 950 CA ILE A 79 -3.827 -2.821 2.079 1.00 0.29 C ATOM 951 C ILE A 79 -2.774 -1.930 2.729 1.00 0.29 C ATOM 952 O ILE A 79 -3.050 -1.250 3.714 1.00 0.40 O ATOM 953 CB ILE A 79 -4.752 -1.954 1.190 1.00 0.31 C ATOM 954 CG1 ILE A 79 -5.915 -2.789 0.645 1.00 0.37 C ATOM 955 CG2 ILE A 79 -3.960 -1.333 0.044 1.00 0.35 C ATOM 956 CD1 ILE A 79 -6.914 -1.985 -0.162 1.00 0.49 C ATOM 0 H ILE A 79 -5.006 -2.922 3.803 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.346 -3.568 1.447 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.163 -1.152 1.803 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.516 -3.588 0.021 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.432 -3.264 1.479 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -4.625 -0.727 -0.571 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.167 -0.705 0.449 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.522 -2.123 -0.566 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.709 -2.642 -0.515 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.342 -1.202 0.464 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.411 -1.532 -1.016 1.00 0.49 H new ATOM 968 N LEU A 80 -1.562 -1.964 2.205 1.00 0.23 N ATOM 969 CA LEU A 80 -0.500 -1.089 2.681 1.00 0.28 C ATOM 970 C LEU A 80 -0.121 -0.093 1.594 1.00 0.30 C ATOM 971 O LEU A 80 0.411 -0.481 0.566 1.00 0.45 O ATOM 972 CB LEU A 80 0.728 -1.916 3.071 1.00 0.40 C ATOM 973 CG LEU A 80 1.911 -1.120 3.631 1.00 0.57 C ATOM 974 CD1 LEU A 80 1.575 -0.543 4.996 1.00 1.22 C ATOM 975 CD2 LEU A 80 3.149 -1.999 3.708 1.00 1.40 C ATOM 0 H LEU A 80 -1.286 -2.589 1.448 1.00 0.23 H new ATOM 0 HA LEU A 80 -0.858 -0.547 3.556 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.426 -2.654 3.814 1.00 0.40 H new ATOM 0 HB3 LEU A 80 1.067 -2.467 2.193 1.00 0.40 H new ATOM 0 HG LEU A 80 2.118 -0.289 2.956 1.00 0.57 H new ATOM 0 HD11 LEU A 80 2.430 0.018 5.374 1.00 1.22 H new ATOM 0 HD12 LEU A 80 0.715 0.121 4.909 1.00 1.22 H new ATOM 0 HD13 LEU A 80 1.339 -1.354 5.686 1.00 1.22 H new ATOM 0 HD21 LEU A 80 3.982 -1.420 4.108 1.00 1.40 H new ATOM 0 HD22 LEU A 80 2.952 -2.849 4.361 1.00 1.40 H new ATOM 0 HD23 LEU A 80 3.403 -2.359 2.711 1.00 1.40 H new ATOM 987 N ILE A 81 -0.406 1.183 1.806 1.00 0.27 N ATOM 988 CA ILE A 81 -0.028 2.203 0.834 1.00 0.27 C ATOM 989 C ILE A 81 1.228 2.927 1.298 1.00 0.27 C ATOM 990 O ILE A 81 1.208 3.630 2.307 1.00 0.33 O ATOM 991 CB ILE A 81 -1.143 3.250 0.592 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.421 2.582 0.081 1.00 0.28 C ATOM 993 CG2 ILE A 81 -0.670 4.295 -0.414 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.596 3.532 -0.037 1.00 0.38 C ATOM 0 H ILE A 81 -0.891 1.536 2.631 1.00 0.27 H new ATOM 0 HA ILE A 81 0.150 1.681 -0.106 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.364 3.736 1.542 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.224 2.138 -0.895 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.689 1.767 0.754 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.461 5.027 -0.578 1.00 0.34 H new ATOM 0 HG22 ILE A 81 0.216 4.798 -0.026 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.426 3.807 -1.358 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.467 2.990 -0.405 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -3.820 3.957 0.941 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.347 4.334 -0.733 1.00 0.38 H new ATOM 1006 N LEU A 82 2.315 2.737 0.574 1.00 0.27 N ATOM 1007 CA LEU A 82 3.557 3.434 0.860 1.00 0.31 C ATOM 1008 C LEU A 82 3.639 4.707 0.030 1.00 0.34 C ATOM 1009 O LEU A 82 3.747 4.655 -1.190 1.00 0.59 O ATOM 1010 CB LEU A 82 4.758 2.534 0.557 1.00 0.43 C ATOM 1011 CG LEU A 82 4.821 1.230 1.354 1.00 0.76 C ATOM 1012 CD1 LEU A 82 6.011 0.396 0.911 1.00 1.61 C ATOM 1013 CD2 LEU A 82 4.905 1.518 2.844 1.00 1.08 C ATOM 0 H LEU A 82 2.364 2.101 -0.222 1.00 0.27 H new ATOM 0 HA LEU A 82 3.576 3.694 1.918 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.748 2.290 -0.505 1.00 0.43 H new ATOM 0 HB3 LEU A 82 5.671 3.099 0.746 1.00 0.43 H new ATOM 0 HG LEU A 82 3.908 0.666 1.162 1.00 0.76 H new ATOM 0 HD11 LEU A 82 6.042 -0.529 1.487 1.00 1.61 H new ATOM 0 HD12 LEU A 82 5.915 0.160 -0.149 1.00 1.61 H new ATOM 0 HD13 LEU A 82 6.931 0.958 1.076 1.00 1.61 H new ATOM 0 HD21 LEU A 82 4.949 0.578 3.394 1.00 1.08 H new ATOM 0 HD22 LEU A 82 5.801 2.102 3.052 1.00 1.08 H new ATOM 0 HD23 LEU A 82 4.025 2.080 3.156 1.00 1.08 H new ATOM 1025 N LEU A 83 3.570 5.847 0.685 1.00 0.35 N ATOM 1026 CA LEU A 83 3.636 7.124 -0.006 1.00 0.42 C ATOM 1027 C LEU A 83 4.497 8.094 0.765 1.00 0.44 C ATOM 1028 O LEU A 83 4.441 8.134 1.991 1.00 0.55 O ATOM 1029 CB LEU A 83 2.240 7.745 -0.200 1.00 0.45 C ATOM 1030 CG LEU A 83 1.414 8.026 1.074 1.00 0.49 C ATOM 1031 CD1 LEU A 83 0.251 8.937 0.737 1.00 1.17 C ATOM 1032 CD2 LEU A 83 0.883 6.746 1.695 1.00 1.13 C ATOM 0 H LEU A 83 3.468 5.919 1.697 1.00 0.35 H new ATOM 0 HA LEU A 83 4.071 6.933 -0.987 1.00 0.42 H new ATOM 0 HB2 LEU A 83 2.359 8.684 -0.740 1.00 0.45 H new ATOM 0 HB3 LEU A 83 1.660 7.080 -0.840 1.00 0.45 H new ATOM 0 HG LEU A 83 2.073 8.506 1.797 1.00 0.49 H new ATOM 0 HD11 LEU A 83 -0.330 9.134 1.638 1.00 1.17 H new ATOM 0 HD12 LEU A 83 0.630 9.878 0.337 1.00 1.17 H new ATOM 0 HD13 LEU A 83 -0.384 8.456 -0.007 1.00 1.17 H new ATOM 0 HD21 LEU A 83 0.307 6.987 2.589 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.242 6.232 0.978 1.00 1.13 H new ATOM 0 HD23 LEU A 83 1.718 6.099 1.964 1.00 1.13 H new ATOM 1044 N GLU A 84 5.312 8.872 0.071 1.00 0.43 N ATOM 1045 CA GLU A 84 5.986 9.955 0.746 1.00 0.45 C ATOM 1046 C GLU A 84 5.075 11.171 0.745 1.00 0.47 C ATOM 1047 O GLU A 84 4.994 11.913 -0.235 1.00 0.54 O ATOM 1048 CB GLU A 84 7.336 10.267 0.080 1.00 0.55 C ATOM 1049 CG GLU A 84 7.277 10.390 -1.436 1.00 1.29 C ATOM 1050 CD GLU A 84 8.610 10.789 -2.037 1.00 1.47 C ATOM 1051 OE1 GLU A 84 8.956 11.989 -1.979 1.00 1.94 O ATOM 1052 OE2 GLU A 84 9.312 9.914 -2.584 1.00 2.04 O ATOM 0 H GLU A 84 5.515 8.776 -0.924 1.00 0.43 H new ATOM 0 HA GLU A 84 6.201 9.666 1.775 1.00 0.45 H new ATOM 0 HB2 GLU A 84 7.724 11.198 0.493 1.00 0.55 H new ATOM 0 HB3 GLU A 84 8.046 9.482 0.341 1.00 0.55 H new ATOM 0 HG2 GLU A 84 6.960 9.438 -1.863 1.00 1.29 H new ATOM 0 HG3 GLU A 84 6.523 11.129 -1.709 1.00 1.29 H new ATOM 1059 N LYS A 85 4.419 11.357 1.882 1.00 0.45 N ATOM 1060 CA LYS A 85 3.516 12.475 2.145 1.00 0.56 C ATOM 1061 C LYS A 85 3.160 12.465 3.625 1.00 0.53 C ATOM 1062 O LYS A 85 3.085 11.395 4.232 1.00 0.53 O ATOM 1063 CB LYS A 85 2.214 12.361 1.327 1.00 0.74 C ATOM 1064 CG LYS A 85 2.329 12.808 -0.122 1.00 1.00 C ATOM 1065 CD LYS A 85 1.021 12.631 -0.873 1.00 0.91 C ATOM 1066 CE LYS A 85 1.188 12.942 -2.351 1.00 1.66 C ATOM 1067 NZ LYS A 85 -0.082 12.771 -3.102 1.00 2.02 N ATOM 0 H LYS A 85 4.501 10.717 2.672 1.00 0.45 H new ATOM 0 HA LYS A 85 4.019 13.399 1.859 1.00 0.56 H new ATOM 0 HB2 LYS A 85 1.879 11.324 1.347 1.00 0.74 H new ATOM 0 HB3 LYS A 85 1.442 12.955 1.815 1.00 0.74 H new ATOM 0 HG2 LYS A 85 2.629 13.855 -0.156 1.00 1.00 H new ATOM 0 HG3 LYS A 85 3.113 12.236 -0.618 1.00 1.00 H new ATOM 0 HD2 LYS A 85 0.665 11.608 -0.752 1.00 0.91 H new ATOM 0 HD3 LYS A 85 0.262 13.285 -0.445 1.00 0.91 H new ATOM 0 HE2 LYS A 85 1.544 13.966 -2.468 1.00 1.66 H new ATOM 0 HE3 LYS A 85 1.951 12.289 -2.775 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 0.049 13.090 -4.083 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 -0.356 11.768 -3.097 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 -0.830 13.336 -2.652 1.00 2.02 H new ATOM 1081 N PRO A 86 2.968 13.638 4.239 1.00 0.60 N ATOM 1082 CA PRO A 86 2.445 13.719 5.601 1.00 0.62 C ATOM 1083 C PRO A 86 0.979 13.291 5.644 1.00 0.61 C ATOM 1084 O PRO A 86 0.121 13.910 5.008 1.00 0.68 O ATOM 1085 CB PRO A 86 2.596 15.200 5.960 1.00 0.74 C ATOM 1086 CG PRO A 86 2.629 15.913 4.652 1.00 0.85 C ATOM 1087 CD PRO A 86 3.262 14.965 3.672 1.00 0.74 C ATOM 0 HA PRO A 86 2.968 13.063 6.297 1.00 0.62 H new ATOM 0 HB2 PRO A 86 1.765 15.543 6.576 1.00 0.74 H new ATOM 0 HB3 PRO A 86 3.509 15.377 6.529 1.00 0.74 H new ATOM 0 HG2 PRO A 86 1.624 16.188 4.333 1.00 0.85 H new ATOM 0 HG3 PRO A 86 3.203 16.836 4.727 1.00 0.85 H new ATOM 0 HD2 PRO A 86 2.839 15.078 2.674 1.00 0.74 H new ATOM 0 HD3 PRO A 86 4.335 15.135 3.584 1.00 0.74 H new ATOM 1095 N VAL A 87 0.689 12.236 6.390 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.644 11.651 6.385 1.00 0.62 C ATOM 1097 C VAL A 87 -1.332 11.792 7.738 1.00 0.62 C ATOM 1098 O VAL A 87 -0.725 11.578 8.791 1.00 0.66 O ATOM 1099 CB VAL A 87 -0.612 10.160 5.972 1.00 0.69 C ATOM 1100 CG1 VAL A 87 -0.108 10.008 4.545 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.246 9.340 6.928 1.00 0.88 C ATOM 0 H VAL A 87 1.356 11.769 7.005 1.00 0.59 H new ATOM 0 HA VAL A 87 -1.219 12.207 5.645 1.00 0.62 H new ATOM 0 HB VAL A 87 -1.632 9.780 6.023 1.00 0.69 H new ATOM 0 HG11 VAL A 87 -0.093 8.952 4.275 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -0.769 10.547 3.866 1.00 1.17 H new ATOM 0 HG13 VAL A 87 0.900 10.416 4.470 1.00 1.17 H new ATOM 0 HG21 VAL A 87 0.249 8.297 6.611 1.00 0.88 H new ATOM 0 HG22 VAL A 87 1.266 9.724 6.921 1.00 0.88 H new ATOM 0 HG23 VAL A 87 -0.162 9.412 7.936 1.00 0.88 H new ATOM 1111 N SER A 88 -2.595 12.182 7.699 1.00 0.69 N ATOM 1112 CA SER A 88 -3.409 12.267 8.897 1.00 0.76 C ATOM 1113 C SER A 88 -4.325 11.044 8.996 1.00 0.72 C ATOM 1114 O SER A 88 -4.585 10.400 7.977 1.00 0.69 O ATOM 1115 CB SER A 88 -4.237 13.555 8.866 1.00 0.92 C ATOM 1116 OG SER A 88 -3.419 14.674 8.557 1.00 1.44 O ATOM 0 H SER A 88 -3.081 12.447 6.842 1.00 0.69 H new ATOM 0 HA SER A 88 -2.761 12.285 9.773 1.00 0.76 H new ATOM 0 HB2 SER A 88 -5.031 13.464 8.125 1.00 0.92 H new ATOM 0 HB3 SER A 88 -4.718 13.707 9.832 1.00 0.92 H new ATOM 0 HG SER A 88 -3.968 15.486 8.541 1.00 1.44 H new ATOM 1122 N PRO A 89 -4.808 10.691 10.200 1.00 0.78 N ATOM 1123 CA PRO A 89 -5.727 9.557 10.381 1.00 0.79 C ATOM 1124 C PRO A 89 -6.900 9.596 9.400 1.00 0.67 C ATOM 1125 O PRO A 89 -7.219 8.596 8.752 1.00 0.65 O ATOM 1126 CB PRO A 89 -6.220 9.732 11.817 1.00 0.98 C ATOM 1127 CG PRO A 89 -5.108 10.437 12.510 1.00 1.14 C ATOM 1128 CD PRO A 89 -4.481 11.342 11.483 1.00 0.92 C ATOM 0 HA PRO A 89 -5.239 8.600 10.197 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -7.141 10.313 11.852 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -6.432 8.770 12.284 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -5.480 11.010 13.359 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -4.379 9.726 12.900 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -4.889 12.351 11.536 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -3.404 11.426 11.627 1.00 0.92 H new ATOM 1136 N GLU A 90 -7.513 10.770 9.269 1.00 0.71 N ATOM 1137 CA GLU A 90 -8.645 10.949 8.369 1.00 0.72 C ATOM 1138 C GLU A 90 -8.239 10.685 6.921 1.00 0.64 C ATOM 1139 O GLU A 90 -9.018 10.139 6.145 1.00 0.68 O ATOM 1140 CB GLU A 90 -9.219 12.359 8.506 1.00 0.87 C ATOM 1141 CG GLU A 90 -10.404 12.624 7.592 1.00 1.24 C ATOM 1142 CD GLU A 90 -10.980 14.009 7.775 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -11.937 14.160 8.567 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -10.479 14.955 7.135 1.00 2.37 O ATOM 0 H GLU A 90 -7.243 11.612 9.777 1.00 0.71 H new ATOM 0 HA GLU A 90 -9.413 10.227 8.647 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -9.525 12.519 9.540 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -8.435 13.084 8.290 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -10.094 12.498 6.555 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -11.180 11.883 7.785 1.00 1.24 H new ATOM 1151 N TYR A 91 -7.011 11.051 6.570 1.00 0.62 N ATOM 1152 CA TYR A 91 -6.507 10.841 5.216 1.00 0.62 C ATOM 1153 C TYR A 91 -6.480 9.351 4.896 1.00 0.52 C ATOM 1154 O TYR A 91 -6.835 8.935 3.790 1.00 0.52 O ATOM 1155 CB TYR A 91 -5.110 11.452 5.065 1.00 0.72 C ATOM 1156 CG TYR A 91 -4.527 11.318 3.675 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -4.908 12.179 2.654 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -3.590 10.333 3.386 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -4.372 12.064 1.386 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -3.051 10.211 2.120 1.00 3.00 C ATOM 1161 CZ TYR A 91 -3.444 11.078 1.123 1.00 2.89 C ATOM 1162 OH TYR A 91 -2.904 10.963 -0.137 1.00 3.78 O ATOM 0 H TYR A 91 -6.346 11.494 7.203 1.00 0.62 H new ATOM 0 HA TYR A 91 -7.173 11.337 4.510 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -5.156 12.509 5.328 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -4.437 10.975 5.778 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -5.636 12.951 2.855 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -3.278 9.652 4.164 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -4.678 12.743 0.604 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -2.325 9.439 1.912 1.00 3.00 H new ATOM 0 HH TYR A 91 -2.266 10.219 -0.153 1.00 3.78 H new ATOM 1172 N GLU A 92 -6.074 8.552 5.878 1.00 0.48 N ATOM 1173 CA GLU A 92 -6.111 7.108 5.757 1.00 0.42 C ATOM 1174 C GLU A 92 -7.536 6.638 5.527 1.00 0.42 C ATOM 1175 O GLU A 92 -7.797 5.829 4.646 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.555 6.466 7.027 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.580 4.951 7.004 1.00 0.49 C ATOM 1178 CD GLU A 92 -4.972 4.350 8.254 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -5.699 4.185 9.258 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -3.760 4.047 8.247 1.00 1.14 O ATOM 0 H GLU A 92 -5.714 8.889 6.771 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.498 6.811 4.906 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.528 6.802 7.174 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -6.131 6.817 7.883 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.609 4.608 6.902 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -5.036 4.594 6.130 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.454 7.189 6.307 1.00 0.47 N ATOM 1188 CA LYS A 93 -9.851 6.792 6.267 1.00 0.54 C ATOM 1189 C LYS A 93 -10.540 7.276 4.997 1.00 0.53 C ATOM 1190 O LYS A 93 -11.598 6.770 4.633 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.574 7.316 7.506 1.00 0.69 C ATOM 1192 CG LYS A 93 -10.138 6.629 8.790 1.00 1.51 C ATOM 1193 CD LYS A 93 -10.623 5.187 8.835 1.00 2.25 C ATOM 1194 CE LYS A 93 -10.080 4.444 10.045 1.00 2.80 C ATOM 1195 NZ LYS A 93 -8.624 4.167 9.922 1.00 3.25 N ATOM 0 H LYS A 93 -8.250 7.924 6.985 1.00 0.47 H new ATOM 0 HA LYS A 93 -9.893 5.703 6.261 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.396 8.388 7.596 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -11.648 7.181 7.376 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -9.051 6.652 8.867 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -10.530 7.174 9.649 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -11.713 5.171 8.858 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -10.316 4.672 7.925 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -10.262 5.033 10.944 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -10.619 3.504 10.165 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -8.315 3.572 10.717 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -8.439 3.671 9.027 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -8.098 5.064 9.936 1.00 3.25 H new ATOM 1209 N LYS A 94 -9.945 8.253 4.325 1.00 0.54 N ATOM 1210 CA LYS A 94 -10.462 8.710 3.042 1.00 0.59 C ATOM 1211 C LYS A 94 -10.098 7.715 1.951 1.00 0.52 C ATOM 1212 O LYS A 94 -10.927 7.367 1.113 1.00 0.57 O ATOM 1213 CB LYS A 94 -9.926 10.100 2.692 1.00 0.67 C ATOM 1214 CG LYS A 94 -10.414 11.192 3.630 1.00 1.19 C ATOM 1215 CD LYS A 94 -9.951 12.570 3.184 1.00 1.48 C ATOM 1216 CE LYS A 94 -10.635 13.008 1.897 1.00 1.97 C ATOM 1217 NZ LYS A 94 -12.107 13.133 2.063 1.00 2.44 N ATOM 0 H LYS A 94 -9.109 8.742 4.645 1.00 0.54 H new ATOM 0 HA LYS A 94 -11.547 8.779 3.117 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -8.836 10.076 2.711 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -10.222 10.349 1.673 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -11.503 11.172 3.676 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -10.049 10.995 4.638 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -10.159 13.295 3.971 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -8.871 12.560 3.036 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -10.224 13.965 1.576 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -10.419 12.287 1.108 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -12.498 13.696 1.281 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -12.538 12.187 2.058 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -12.316 13.604 2.966 1.00 2.44 H new ATOM 1231 N LEU A 95 -8.860 7.240 1.978 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.422 6.215 1.039 1.00 0.45 C ATOM 1233 C LEU A 95 -9.061 4.882 1.406 1.00 0.39 C ATOM 1234 O LEU A 95 -9.418 4.082 0.540 1.00 0.41 O ATOM 1235 CB LEU A 95 -6.894 6.094 1.045 1.00 0.46 C ATOM 1236 CG LEU A 95 -6.135 7.387 0.726 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -4.635 7.140 0.736 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -6.567 7.951 -0.619 1.00 1.12 C ATOM 0 H LEU A 95 -8.144 7.546 2.637 1.00 0.47 H new ATOM 0 HA LEU A 95 -8.735 6.499 0.034 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.578 5.739 2.026 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -6.603 5.333 0.321 1.00 0.46 H new ATOM 0 HG LEU A 95 -6.374 8.119 1.497 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -4.112 8.069 0.508 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -4.331 6.785 1.721 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -4.385 6.389 -0.013 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -6.015 8.868 -0.823 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -6.361 7.222 -1.402 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -7.635 8.168 -0.596 1.00 1.12 H new ATOM 1250 N GLN A 96 -9.220 4.675 2.707 1.00 0.37 N ATOM 1251 CA GLN A 96 -9.883 3.497 3.249 1.00 0.40 C ATOM 1252 C GLN A 96 -11.382 3.564 2.945 1.00 0.45 C ATOM 1253 O GLN A 96 -12.099 2.572 3.045 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.639 3.439 4.763 1.00 0.53 C ATOM 1255 CG GLN A 96 -9.866 2.079 5.401 1.00 0.60 C ATOM 1256 CD GLN A 96 -9.575 2.078 6.888 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -8.747 2.849 7.374 1.00 1.79 O ATOM 1258 NE2 GLN A 96 -10.245 1.204 7.620 1.00 2.20 N ATOM 0 H GLN A 96 -8.890 5.325 3.420 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.479 2.595 2.789 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -8.613 3.750 4.962 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -10.292 4.164 5.249 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -10.899 1.772 5.236 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -9.232 1.341 4.910 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -10.923 0.582 7.179 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -10.084 1.151 8.626 1.00 2.20 H new ATOM 1267 N LYS A 97 -11.849 4.761 2.602 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.228 4.957 2.168 1.00 0.64 C ATOM 1269 C LYS A 97 -13.387 4.571 0.698 1.00 0.65 C ATOM 1270 O LYS A 97 -14.379 3.948 0.317 1.00 0.72 O ATOM 1271 CB LYS A 97 -13.652 6.415 2.378 1.00 0.78 C ATOM 1272 CG LYS A 97 -15.112 6.691 2.053 1.00 1.44 C ATOM 1273 CD LYS A 97 -15.461 8.155 2.269 1.00 1.95 C ATOM 1274 CE LYS A 97 -16.933 8.426 2.004 1.00 2.39 C ATOM 1275 NZ LYS A 97 -17.286 9.855 2.221 1.00 2.87 N ATOM 0 H LYS A 97 -11.289 5.614 2.617 1.00 0.52 H new ATOM 0 HA LYS A 97 -13.871 4.314 2.769 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.464 6.691 3.416 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -13.026 7.057 1.759 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -15.314 6.416 1.018 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -15.750 6.067 2.679 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -15.217 8.440 3.292 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -14.852 8.775 1.611 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -17.174 8.145 0.979 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -17.540 7.800 2.658 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -18.298 9.995 2.029 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -17.080 10.118 3.206 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -16.726 10.452 1.580 1.00 2.87 H new ATOM 1289 N TYR A 98 -12.400 4.940 -0.117 1.00 0.63 N ATOM 1290 CA TYR A 98 -12.435 4.648 -1.550 1.00 0.68 C ATOM 1291 C TYR A 98 -12.390 3.145 -1.794 1.00 0.64 C ATOM 1292 O TYR A 98 -13.101 2.623 -2.655 1.00 0.73 O ATOM 1293 CB TYR A 98 -11.268 5.324 -2.277 1.00 0.71 C ATOM 1294 CG TYR A 98 -11.251 6.831 -2.155 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -10.058 7.510 -1.946 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -12.422 7.573 -2.243 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -10.033 8.885 -1.829 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -12.404 8.949 -2.126 1.00 2.50 C ATOM 1299 CZ TYR A 98 -11.207 9.599 -1.919 1.00 2.73 C ATOM 1300 OH TYR A 98 -11.185 10.970 -1.799 1.00 3.64 O ATOM 0 H TYR A 98 -11.566 5.441 0.190 1.00 0.63 H new ATOM 0 HA TYR A 98 -13.370 5.045 -1.946 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -10.332 4.928 -1.884 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -11.309 5.057 -3.333 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -9.135 6.954 -1.874 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -13.362 7.066 -2.406 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -9.097 9.399 -1.668 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -13.323 9.512 -2.196 1.00 2.50 H new ATOM 0 HH TYR A 98 -12.096 11.321 -1.887 1.00 3.64 H new ATOM 1310 N ALA A 99 -11.544 2.459 -1.045 1.00 0.56 N ATOM 1311 CA ALA A 99 -11.468 1.010 -1.111 1.00 0.56 C ATOM 1312 C ALA A 99 -11.923 0.420 0.203 1.00 0.52 C ATOM 1313 O ALA A 99 -11.321 0.689 1.242 1.00 0.60 O ATOM 1314 CB ALA A 99 -10.048 0.561 -1.424 1.00 0.59 C ATOM 0 H ALA A 99 -10.897 2.885 -0.381 1.00 0.56 H new ATOM 0 HA ALA A 99 -12.121 0.659 -1.910 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -10.012 -0.527 -1.469 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -9.739 0.974 -2.384 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -9.374 0.914 -0.643 1.00 0.59 H new ATOM 1320 N ASP A 100 -12.979 -0.384 0.170 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.500 -0.953 1.399 1.00 0.53 C ATOM 1322 C ASP A 100 -12.540 -2.012 1.894 1.00 0.47 C ATOM 1323 O ASP A 100 -12.504 -3.141 1.395 1.00 0.51 O ATOM 1324 CB ASP A 100 -14.898 -1.545 1.198 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.453 -2.150 2.474 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -15.137 -1.639 3.573 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -16.218 -3.137 2.391 1.00 1.73 O ATOM 0 H ASP A 100 -13.480 -0.651 -0.677 1.00 0.54 H new ATOM 0 HA ASP A 100 -13.592 -0.161 2.142 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -15.573 -0.766 0.844 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -14.859 -2.310 0.422 1.00 0.66 H new ATOM 1332 N ALA A 101 -11.788 -1.626 2.900 1.00 0.42 N ATOM 1333 CA ALA A 101 -10.703 -2.424 3.418 1.00 0.39 C ATOM 1334 C ALA A 101 -10.168 -1.783 4.673 1.00 0.37 C ATOM 1335 O ALA A 101 -10.790 -0.881 5.237 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.604 -2.529 2.370 1.00 0.43 C ATOM 0 H ALA A 101 -11.915 -0.738 3.386 1.00 0.42 H new ATOM 0 HA ALA A 101 -11.061 -3.426 3.655 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -8.784 -3.132 2.761 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -10.003 -2.999 1.471 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -9.237 -1.532 2.127 1.00 0.43 H new ATOM 1342 N GLU A 102 -9.031 -2.261 5.111 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.324 -1.641 6.197 1.00 0.31 C ATOM 1344 C GLU A 102 -6.909 -1.310 5.744 1.00 0.29 C ATOM 1345 O GLU A 102 -5.977 -2.108 5.892 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.339 -2.561 7.412 1.00 0.41 C ATOM 1347 CG GLU A 102 -7.922 -3.993 7.110 1.00 0.76 C ATOM 1348 CD GLU A 102 -7.974 -4.885 8.323 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -9.024 -5.517 8.551 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -6.960 -4.968 9.049 1.00 1.77 O ATOM 0 H GLU A 102 -8.573 -3.087 4.726 1.00 0.31 H new ATOM 0 HA GLU A 102 -8.811 -0.710 6.489 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -7.673 -2.152 8.172 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -9.343 -2.568 7.837 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -8.573 -4.401 6.337 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -6.909 -3.994 6.707 1.00 0.76 H new ATOM 1357 N VAL A 103 -6.763 -0.129 5.167 1.00 0.27 N ATOM 1358 CA VAL A 103 -5.499 0.277 4.588 1.00 0.32 C ATOM 1359 C VAL A 103 -4.643 0.984 5.625 1.00 0.32 C ATOM 1360 O VAL A 103 -5.141 1.763 6.435 1.00 0.38 O ATOM 1361 CB VAL A 103 -5.698 1.190 3.349 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -6.239 2.556 3.735 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -4.403 1.348 2.576 1.00 1.05 C ATOM 0 H VAL A 103 -7.507 0.564 5.088 1.00 0.27 H new ATOM 0 HA VAL A 103 -4.988 -0.627 4.256 1.00 0.32 H new ATOM 0 HB VAL A 103 -6.434 0.702 2.711 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -6.364 3.164 2.839 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -7.202 2.439 4.231 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -5.539 3.046 4.412 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -4.571 1.992 1.713 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -3.646 1.795 3.221 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -4.060 0.370 2.238 1.00 1.05 H new ATOM 1373 N ARG A 104 -3.366 0.671 5.622 1.00 0.33 N ATOM 1374 CA ARG A 104 -2.411 1.365 6.458 1.00 0.37 C ATOM 1375 C ARG A 104 -1.594 2.307 5.593 1.00 0.33 C ATOM 1376 O ARG A 104 -0.683 1.869 4.891 1.00 0.38 O ATOM 1377 CB ARG A 104 -1.466 0.382 7.156 1.00 0.46 C ATOM 1378 CG ARG A 104 -2.145 -0.590 8.106 1.00 1.23 C ATOM 1379 CD ARG A 104 -1.114 -1.474 8.789 1.00 1.26 C ATOM 1380 NE ARG A 104 -1.710 -2.434 9.716 1.00 1.50 N ATOM 1381 CZ ARG A 104 -1.014 -3.076 10.658 1.00 1.82 C ATOM 1382 NH1 ARG A 104 0.287 -2.843 10.801 1.00 1.78 N ATOM 1383 NH2 ARG A 104 -1.613 -3.944 11.463 1.00 2.71 N ATOM 0 H ARG A 104 -2.962 -0.066 5.044 1.00 0.33 H new ATOM 0 HA ARG A 104 -2.957 1.918 7.222 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -0.932 -0.188 6.396 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -0.720 0.950 7.712 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -2.713 -0.039 8.855 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -2.856 -1.208 7.557 1.00 1.23 H new ATOM 0 HD2 ARG A 104 -0.547 -2.014 8.031 1.00 1.26 H new ATOM 0 HD3 ARG A 104 -0.406 -0.846 9.330 1.00 1.26 H new ATOM 0 HE ARG A 104 -2.709 -2.624 9.640 1.00 1.50 H new ATOM 0 HH11 ARG A 104 0.755 -2.173 10.191 1.00 1.78 H new ATOM 0 HH12 ARG A 104 0.817 -3.334 11.521 1.00 1.78 H new ATOM 0 HH21 ARG A 104 -2.612 -4.125 11.365 1.00 2.71 H new ATOM 0 HH22 ARG A 104 -1.074 -4.430 12.180 1.00 2.71 H new ATOM 1397 N VAL A 105 -1.930 3.587 5.604 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.157 4.543 4.830 1.00 0.31 C ATOM 1399 C VAL A 105 0.167 4.816 5.545 1.00 0.31 C ATOM 1400 O VAL A 105 0.190 5.157 6.729 1.00 0.41 O ATOM 1401 CB VAL A 105 -1.918 5.865 4.555 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.214 5.587 3.811 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -2.193 6.639 5.832 1.00 0.71 C ATOM 0 H VAL A 105 -2.713 3.981 6.126 1.00 0.31 H new ATOM 0 HA VAL A 105 -0.970 4.099 3.852 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.277 6.487 3.930 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.736 6.526 3.626 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -2.991 5.102 2.860 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -3.846 4.933 4.412 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.728 7.558 5.592 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -2.800 6.031 6.503 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -1.249 6.885 6.319 1.00 0.71 H new ATOM 1413 N ARG A 106 1.265 4.605 4.843 1.00 0.31 N ATOM 1414 CA ARG A 106 2.590 4.711 5.442 1.00 0.35 C ATOM 1415 C ARG A 106 3.460 5.687 4.668 1.00 0.29 C ATOM 1416 O ARG A 106 3.495 5.652 3.439 1.00 0.31 O ATOM 1417 CB ARG A 106 3.262 3.336 5.460 1.00 0.46 C ATOM 1418 CG ARG A 106 3.224 2.622 6.804 1.00 0.79 C ATOM 1419 CD ARG A 106 1.812 2.431 7.327 1.00 0.87 C ATOM 1420 NE ARG A 106 1.796 1.608 8.536 1.00 1.30 N ATOM 1421 CZ ARG A 106 1.003 1.827 9.585 1.00 1.70 C ATOM 1422 NH1 ARG A 106 0.168 2.858 9.592 1.00 1.88 N ATOM 1423 NH2 ARG A 106 1.055 1.017 10.635 1.00 2.63 N ATOM 0 H ARG A 106 1.269 4.358 3.853 1.00 0.31 H new ATOM 0 HA ARG A 106 2.475 5.080 6.461 1.00 0.35 H new ATOM 0 HB2 ARG A 106 2.781 2.703 4.715 1.00 0.46 H new ATOM 0 HB3 ARG A 106 4.302 3.452 5.156 1.00 0.46 H new ATOM 0 HG2 ARG A 106 3.706 1.649 6.707 1.00 0.79 H new ATOM 0 HG3 ARG A 106 3.802 3.193 7.531 1.00 0.79 H new ATOM 0 HD2 ARG A 106 1.367 3.403 7.541 1.00 0.87 H new ATOM 0 HD3 ARG A 106 1.198 1.962 6.558 1.00 0.87 H new ATOM 0 HE ARG A 106 2.434 0.813 8.579 1.00 1.30 H new ATOM 0 HH11 ARG A 106 0.130 3.489 8.791 1.00 1.88 H new ATOM 0 HH12 ARG A 106 -0.436 3.020 10.398 1.00 1.88 H new ATOM 0 HH21 ARG A 106 1.701 0.228 10.639 1.00 2.63 H new ATOM 0 HH22 ARG A 106 0.449 1.184 11.438 1.00 2.63 H new ATOM 1437 N THR A 107 4.161 6.551 5.385 1.00 0.34 N ATOM 1438 CA THR A 107 5.064 7.496 4.751 1.00 0.36 C ATOM 1439 C THR A 107 6.427 6.842 4.497 1.00 0.40 C ATOM 1440 O THR A 107 7.044 6.271 5.403 1.00 0.56 O ATOM 1441 CB THR A 107 5.224 8.794 5.582 1.00 0.50 C ATOM 1442 OG1 THR A 107 6.064 9.729 4.892 1.00 0.56 O ATOM 1443 CG2 THR A 107 5.803 8.515 6.963 1.00 0.64 C ATOM 0 H THR A 107 4.122 6.617 6.402 1.00 0.34 H new ATOM 0 HA THR A 107 4.625 7.780 3.795 1.00 0.36 H new ATOM 0 HB THR A 107 4.229 9.219 5.710 1.00 0.50 H new ATOM 0 HG1 THR A 107 6.155 10.545 5.428 1.00 0.56 H new ATOM 0 HG21 THR A 107 5.899 9.451 7.513 1.00 0.64 H new ATOM 0 HG22 THR A 107 5.140 7.841 7.506 1.00 0.64 H new ATOM 0 HG23 THR A 107 6.785 8.053 6.859 1.00 0.64 H new ATOM 1451 N VAL A 108 6.883 6.904 3.253 1.00 0.44 N ATOM 1452 CA VAL A 108 8.136 6.272 2.870 1.00 0.60 C ATOM 1453 C VAL A 108 9.097 7.273 2.228 1.00 0.68 C ATOM 1454 O VAL A 108 8.812 7.850 1.183 1.00 0.86 O ATOM 1455 CB VAL A 108 7.903 5.077 1.911 1.00 0.71 C ATOM 1456 CG1 VAL A 108 7.079 5.490 0.701 1.00 1.34 C ATOM 1457 CG2 VAL A 108 9.228 4.477 1.471 1.00 0.97 C ATOM 0 H VAL A 108 6.403 7.386 2.493 1.00 0.44 H new ATOM 0 HA VAL A 108 8.589 5.896 3.787 1.00 0.60 H new ATOM 0 HB VAL A 108 7.341 4.319 2.457 1.00 0.71 H new ATOM 0 HG11 VAL A 108 6.934 4.629 0.049 1.00 1.34 H new ATOM 0 HG12 VAL A 108 6.109 5.863 1.031 1.00 1.34 H new ATOM 0 HG13 VAL A 108 7.603 6.275 0.155 1.00 1.34 H new ATOM 0 HG21 VAL A 108 9.043 3.640 0.798 1.00 0.97 H new ATOM 0 HG22 VAL A 108 9.817 5.235 0.954 1.00 0.97 H new ATOM 0 HG23 VAL A 108 9.776 4.126 2.345 1.00 0.97 H new ATOM 1467 N THR A 109 10.232 7.490 2.874 1.00 0.68 N ATOM 1468 CA THR A 109 11.266 8.347 2.317 1.00 0.78 C ATOM 1469 C THR A 109 12.600 7.602 2.267 1.00 0.71 C ATOM 1470 O THR A 109 13.642 8.177 1.948 1.00 0.88 O ATOM 1471 CB THR A 109 11.410 9.656 3.129 1.00 0.96 C ATOM 1472 OG1 THR A 109 12.352 10.536 2.501 1.00 1.22 O ATOM 1473 CG2 THR A 109 11.850 9.373 4.559 1.00 1.11 C ATOM 0 H THR A 109 10.460 7.086 3.782 1.00 0.68 H new ATOM 0 HA THR A 109 10.971 8.614 1.302 1.00 0.78 H new ATOM 0 HB THR A 109 10.432 10.136 3.156 1.00 0.96 H new ATOM 0 HG1 THR A 109 13.052 10.008 2.063 1.00 1.22 H new ATOM 0 HG21 THR A 109 11.942 10.312 5.104 1.00 1.11 H new ATOM 0 HG22 THR A 109 11.110 8.740 5.049 1.00 1.11 H new ATOM 0 HG23 THR A 109 12.813 8.863 4.549 1.00 1.11 H new ATOM 1481 N SER A 110 12.558 6.313 2.587 1.00 0.59 N ATOM 1482 CA SER A 110 13.748 5.474 2.583 1.00 0.54 C ATOM 1483 C SER A 110 13.359 4.016 2.353 1.00 0.49 C ATOM 1484 O SER A 110 12.399 3.519 2.945 1.00 0.51 O ATOM 1485 CB SER A 110 14.494 5.605 3.912 1.00 0.62 C ATOM 1486 OG SER A 110 14.873 6.948 4.160 1.00 0.93 O ATOM 0 H SER A 110 11.704 5.824 2.855 1.00 0.59 H new ATOM 0 HA SER A 110 14.403 5.802 1.776 1.00 0.54 H new ATOM 0 HB2 SER A 110 13.860 5.248 4.724 1.00 0.62 H new ATOM 0 HB3 SER A 110 15.381 4.971 3.898 1.00 0.62 H new ATOM 0 HG SER A 110 15.346 7.002 5.016 1.00 0.93 H new ATOM 1492 N PRO A 111 14.102 3.324 1.468 1.00 0.49 N ATOM 1493 CA PRO A 111 13.867 1.911 1.141 1.00 0.49 C ATOM 1494 C PRO A 111 13.833 1.000 2.367 1.00 0.45 C ATOM 1495 O PRO A 111 13.038 0.063 2.426 1.00 0.50 O ATOM 1496 CB PRO A 111 15.058 1.540 0.256 1.00 0.58 C ATOM 1497 CG PRO A 111 15.516 2.826 -0.335 1.00 0.60 C ATOM 1498 CD PRO A 111 15.221 3.888 0.685 1.00 0.54 C ATOM 0 HA PRO A 111 12.894 1.781 0.667 1.00 0.49 H new ATOM 0 HB2 PRO A 111 15.850 1.069 0.838 1.00 0.58 H new ATOM 0 HB3 PRO A 111 14.768 0.831 -0.519 1.00 0.58 H new ATOM 0 HG2 PRO A 111 16.581 2.791 -0.563 1.00 0.60 H new ATOM 0 HG3 PRO A 111 14.996 3.031 -1.271 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.088 4.090 1.314 1.00 0.54 H new ATOM 0 HD3 PRO A 111 14.944 4.830 0.213 1.00 0.54 H new ATOM 1506 N ASP A 112 14.696 1.270 3.340 1.00 0.47 N ATOM 1507 CA ASP A 112 14.759 0.451 4.547 1.00 0.49 C ATOM 1508 C ASP A 112 13.523 0.655 5.407 1.00 0.43 C ATOM 1509 O ASP A 112 12.972 -0.303 5.952 1.00 0.45 O ATOM 1510 CB ASP A 112 16.021 0.747 5.359 1.00 0.60 C ATOM 1511 CG ASP A 112 17.273 0.204 4.703 1.00 1.16 C ATOM 1512 OD1 ASP A 112 18.172 1.002 4.368 1.00 1.71 O ATOM 1513 OD2 ASP A 112 17.364 -1.025 4.510 1.00 2.04 O ATOM 0 H ASP A 112 15.359 2.045 3.318 1.00 0.47 H new ATOM 0 HA ASP A 112 14.796 -0.591 4.230 1.00 0.49 H new ATOM 0 HB2 ASP A 112 16.121 1.825 5.489 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.919 0.314 6.354 1.00 0.60 H new ATOM 1518 N GLU A 113 13.079 1.900 5.511 1.00 0.43 N ATOM 1519 CA GLU A 113 11.865 2.217 6.253 1.00 0.45 C ATOM 1520 C GLU A 113 10.668 1.533 5.601 1.00 0.37 C ATOM 1521 O GLU A 113 9.799 0.995 6.286 1.00 0.40 O ATOM 1522 CB GLU A 113 11.646 3.731 6.305 1.00 0.57 C ATOM 1523 CG GLU A 113 12.785 4.493 6.966 1.00 0.78 C ATOM 1524 CD GLU A 113 12.999 4.097 8.412 1.00 1.46 C ATOM 1525 OE1 GLU A 113 13.981 3.379 8.698 1.00 2.21 O ATOM 1526 OE2 GLU A 113 12.193 4.509 9.272 1.00 2.13 O ATOM 0 H GLU A 113 13.540 2.707 5.091 1.00 0.43 H new ATOM 0 HA GLU A 113 11.973 1.851 7.274 1.00 0.45 H new ATOM 0 HB2 GLU A 113 11.512 4.105 5.290 1.00 0.57 H new ATOM 0 HB3 GLU A 113 10.722 3.937 6.845 1.00 0.57 H new ATOM 0 HG2 GLU A 113 13.704 4.319 6.407 1.00 0.78 H new ATOM 0 HG3 GLU A 113 12.578 5.562 6.914 1.00 0.78 H new ATOM 1533 N ALA A 114 10.651 1.538 4.269 1.00 0.37 N ATOM 1534 CA ALA A 114 9.605 0.869 3.504 1.00 0.39 C ATOM 1535 C ALA A 114 9.552 -0.612 3.848 1.00 0.36 C ATOM 1536 O ALA A 114 8.485 -1.158 4.127 1.00 0.38 O ATOM 1537 CB ALA A 114 9.843 1.048 2.013 1.00 0.48 C ATOM 0 H ALA A 114 11.356 2.002 3.696 1.00 0.37 H new ATOM 0 HA ALA A 114 8.649 1.322 3.766 1.00 0.39 H new ATOM 0 HB1 ALA A 114 9.054 0.543 1.455 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.837 2.110 1.769 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.808 0.619 1.745 1.00 0.48 H new ATOM 1543 N LYS A 115 10.717 -1.247 3.846 1.00 0.38 N ATOM 1544 CA LYS A 115 10.824 -2.667 4.163 1.00 0.45 C ATOM 1545 C LYS A 115 10.350 -2.945 5.587 1.00 0.39 C ATOM 1546 O LYS A 115 9.786 -4.003 5.867 1.00 0.44 O ATOM 1547 CB LYS A 115 12.267 -3.143 3.969 1.00 0.57 C ATOM 1548 CG LYS A 115 12.710 -3.146 2.511 1.00 0.75 C ATOM 1549 CD LYS A 115 14.146 -3.628 2.348 1.00 0.77 C ATOM 1550 CE LYS A 115 15.140 -2.639 2.936 1.00 1.22 C ATOM 1551 NZ LYS A 115 16.550 -3.045 2.695 1.00 1.53 N ATOM 0 H LYS A 115 11.607 -0.799 3.627 1.00 0.38 H new ATOM 0 HA LYS A 115 10.179 -3.222 3.482 1.00 0.45 H new ATOM 0 HB2 LYS A 115 12.934 -2.500 4.543 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.368 -4.150 4.374 1.00 0.57 H new ATOM 0 HG2 LYS A 115 12.045 -3.787 1.932 1.00 0.75 H new ATOM 0 HG3 LYS A 115 12.618 -2.140 2.103 1.00 0.75 H new ATOM 0 HD2 LYS A 115 14.263 -4.596 2.836 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.362 -3.776 1.290 1.00 0.77 H new ATOM 0 HE2 LYS A 115 14.969 -1.654 2.502 1.00 1.22 H new ATOM 0 HE3 LYS A 115 14.968 -2.549 4.009 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 17.181 -2.486 3.304 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 16.663 -4.055 2.915 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 16.794 -2.878 1.698 1.00 1.53 H new ATOM 1565 N ARG A 116 10.563 -1.982 6.476 1.00 0.36 N ATOM 1566 CA ARG A 116 10.113 -2.102 7.855 1.00 0.39 C ATOM 1567 C ARG A 116 8.584 -2.061 7.909 1.00 0.35 C ATOM 1568 O ARG A 116 7.958 -2.857 8.612 1.00 0.42 O ATOM 1569 CB ARG A 116 10.733 -0.981 8.711 1.00 0.50 C ATOM 1570 CG ARG A 116 10.520 -1.136 10.215 1.00 1.14 C ATOM 1571 CD ARG A 116 9.152 -0.634 10.653 1.00 1.65 C ATOM 1572 NE ARG A 116 8.866 -0.963 12.047 1.00 2.40 N ATOM 1573 CZ ARG A 116 7.643 -0.964 12.571 1.00 3.29 C ATOM 1574 NH1 ARG A 116 6.600 -0.635 11.821 1.00 3.61 N ATOM 1575 NH2 ARG A 116 7.465 -1.296 13.844 1.00 4.21 N ATOM 0 H ARG A 116 11.045 -1.109 6.265 1.00 0.36 H new ATOM 0 HA ARG A 116 10.441 -3.058 8.262 1.00 0.39 H new ATOM 0 HB2 ARG A 116 11.804 -0.940 8.512 1.00 0.50 H new ATOM 0 HB3 ARG A 116 10.313 -0.026 8.395 1.00 0.50 H new ATOM 0 HG2 ARG A 116 10.626 -2.186 10.490 1.00 1.14 H new ATOM 0 HG3 ARG A 116 11.295 -0.587 10.749 1.00 1.14 H new ATOM 0 HD2 ARG A 116 9.103 0.447 10.519 1.00 1.65 H new ATOM 0 HD3 ARG A 116 8.385 -1.070 10.013 1.00 1.65 H new ATOM 0 HE ARG A 116 9.649 -1.206 12.654 1.00 2.40 H new ATOM 0 HH11 ARG A 116 6.735 -0.381 10.842 1.00 3.61 H new ATOM 0 HH12 ARG A 116 5.662 -0.636 12.223 1.00 3.61 H new ATOM 0 HH21 ARG A 116 8.266 -1.551 14.421 1.00 4.21 H new ATOM 0 HH22 ARG A 116 6.527 -1.296 14.245 1.00 4.21 H new ATOM 1589 N TRP A 117 7.989 -1.143 7.153 1.00 0.31 N ATOM 1590 CA TRP A 117 6.535 -1.031 7.087 1.00 0.32 C ATOM 1591 C TRP A 117 5.920 -2.308 6.526 1.00 0.30 C ATOM 1592 O TRP A 117 4.921 -2.810 7.045 1.00 0.36 O ATOM 1593 CB TRP A 117 6.108 0.155 6.216 1.00 0.36 C ATOM 1594 CG TRP A 117 6.543 1.497 6.727 1.00 0.40 C ATOM 1595 CD1 TRP A 117 7.147 2.485 6.003 1.00 0.47 C ATOM 1596 CD2 TRP A 117 6.398 2.009 8.060 1.00 0.56 C ATOM 1597 NE1 TRP A 117 7.390 3.574 6.800 1.00 0.53 N ATOM 1598 CE2 TRP A 117 6.941 3.308 8.066 1.00 0.60 C ATOM 1599 CE3 TRP A 117 5.866 1.497 9.250 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 6.965 4.100 9.210 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 5.891 2.286 10.383 1.00 0.98 C ATOM 1602 CH2 TRP A 117 6.436 3.575 10.357 1.00 0.99 C ATOM 0 H TRP A 117 8.491 -0.466 6.578 1.00 0.31 H new ATOM 0 HA TRP A 117 6.177 -0.871 8.104 1.00 0.32 H new ATOM 0 HB2 TRP A 117 6.511 0.015 5.213 1.00 0.36 H new ATOM 0 HB3 TRP A 117 5.022 0.150 6.127 1.00 0.36 H new ATOM 0 HD1 TRP A 117 7.397 2.418 4.954 1.00 0.47 H new ATOM 0 HE1 TRP A 117 7.833 4.442 6.499 1.00 0.53 H new ATOM 0 HE3 TRP A 117 5.444 0.503 9.281 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 7.386 5.094 9.193 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 5.483 1.902 11.306 1.00 0.98 H new ATOM 0 HH2 TRP A 117 6.439 4.167 11.260 1.00 0.99 H new ATOM 1613 N ILE A 118 6.530 -2.825 5.467 1.00 0.29 N ATOM 1614 CA ILE A 118 6.053 -4.034 4.809 1.00 0.32 C ATOM 1615 C ILE A 118 6.083 -5.226 5.761 1.00 0.36 C ATOM 1616 O ILE A 118 5.143 -6.023 5.798 1.00 0.40 O ATOM 1617 CB ILE A 118 6.892 -4.345 3.551 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.755 -3.199 2.544 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.460 -5.665 2.924 1.00 0.51 C ATOM 1620 CD1 ILE A 118 7.661 -3.333 1.342 1.00 0.57 C ATOM 0 H ILE A 118 7.365 -2.421 5.042 1.00 0.29 H new ATOM 0 HA ILE A 118 5.021 -3.857 4.507 1.00 0.32 H new ATOM 0 HB ILE A 118 7.938 -4.440 3.841 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.721 -3.148 2.204 1.00 0.44 H new ATOM 0 HG13 ILE A 118 6.972 -2.257 3.048 1.00 0.44 H new ATOM 0 HG21 ILE A 118 7.065 -5.863 2.039 1.00 0.51 H new ATOM 0 HG22 ILE A 118 6.596 -6.472 3.644 1.00 0.51 H new ATOM 0 HG23 ILE A 118 5.410 -5.606 2.639 1.00 0.51 H new ATOM 0 HD11 ILE A 118 7.507 -2.485 0.674 1.00 0.57 H new ATOM 0 HD12 ILE A 118 8.700 -3.353 1.670 1.00 0.57 H new ATOM 0 HD13 ILE A 118 7.430 -4.258 0.813 1.00 0.57 H new ATOM 1632 N LYS A 119 7.154 -5.335 6.541 1.00 0.41 N ATOM 1633 CA LYS A 119 7.290 -6.427 7.495 1.00 0.53 C ATOM 1634 C LYS A 119 6.200 -6.341 8.559 1.00 0.55 C ATOM 1635 O LYS A 119 5.588 -7.348 8.916 1.00 0.67 O ATOM 1636 CB LYS A 119 8.672 -6.404 8.150 1.00 0.63 C ATOM 1637 CG LYS A 119 8.960 -7.624 9.013 1.00 1.09 C ATOM 1638 CD LYS A 119 10.384 -7.612 9.545 1.00 1.34 C ATOM 1639 CE LYS A 119 10.589 -6.534 10.598 1.00 2.05 C ATOM 1640 NZ LYS A 119 9.882 -6.850 11.869 1.00 2.66 N ATOM 0 H LYS A 119 7.937 -4.682 6.530 1.00 0.41 H new ATOM 0 HA LYS A 119 7.180 -7.368 6.956 1.00 0.53 H new ATOM 0 HB2 LYS A 119 9.432 -6.333 7.372 1.00 0.63 H new ATOM 0 HB3 LYS A 119 8.759 -5.507 8.763 1.00 0.63 H new ATOM 0 HG2 LYS A 119 8.260 -7.653 9.848 1.00 1.09 H new ATOM 0 HG3 LYS A 119 8.797 -8.530 8.429 1.00 1.09 H new ATOM 0 HD2 LYS A 119 10.619 -8.586 9.973 1.00 1.34 H new ATOM 0 HD3 LYS A 119 11.078 -7.450 8.720 1.00 1.34 H new ATOM 0 HE2 LYS A 119 11.655 -6.419 10.796 1.00 2.05 H new ATOM 0 HE3 LYS A 119 10.232 -5.579 10.213 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 10.195 -6.194 12.613 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 8.856 -6.751 11.729 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 10.100 -7.826 12.154 1.00 2.66 H new ATOM 1654 N GLU A 120 5.950 -5.130 9.048 1.00 0.51 N ATOM 1655 CA GLU A 120 4.899 -4.896 10.034 1.00 0.63 C ATOM 1656 C GLU A 120 3.534 -5.284 9.474 1.00 0.60 C ATOM 1657 O GLU A 120 2.723 -5.910 10.153 1.00 0.79 O ATOM 1658 CB GLU A 120 4.872 -3.422 10.445 1.00 0.71 C ATOM 1659 CG GLU A 120 3.759 -3.090 11.424 1.00 1.43 C ATOM 1660 CD GLU A 120 3.501 -1.605 11.540 1.00 1.83 C ATOM 1661 OE1 GLU A 120 2.730 -1.068 10.716 1.00 2.48 O ATOM 1662 OE2 GLU A 120 4.059 -0.968 12.457 1.00 2.33 O ATOM 0 H GLU A 120 6.463 -4.292 8.776 1.00 0.51 H new ATOM 0 HA GLU A 120 5.116 -5.514 10.906 1.00 0.63 H new ATOM 0 HB2 GLU A 120 5.830 -3.160 10.893 1.00 0.71 H new ATOM 0 HB3 GLU A 120 4.758 -2.806 9.553 1.00 0.71 H new ATOM 0 HG2 GLU A 120 2.843 -3.589 11.108 1.00 1.43 H new ATOM 0 HG3 GLU A 120 4.016 -3.487 12.406 1.00 1.43 H new ATOM 1669 N PHE A 121 3.296 -4.899 8.228 1.00 0.44 N ATOM 1670 CA PHE A 121 2.019 -5.137 7.571 1.00 0.43 C ATOM 1671 C PHE A 121 1.781 -6.625 7.332 1.00 0.46 C ATOM 1672 O PHE A 121 0.685 -7.135 7.572 1.00 0.54 O ATOM 1673 CB PHE A 121 1.983 -4.377 6.246 1.00 0.38 C ATOM 1674 CG PHE A 121 0.777 -4.674 5.405 1.00 0.43 C ATOM 1675 CD1 PHE A 121 0.889 -5.452 4.265 1.00 1.37 C ATOM 1676 CD2 PHE A 121 -0.465 -4.176 5.756 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -0.219 -5.729 3.489 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -1.575 -4.450 4.985 1.00 1.23 C ATOM 1679 CZ PHE A 121 -1.451 -5.227 3.850 1.00 0.67 C ATOM 0 H PHE A 121 3.980 -4.415 7.646 1.00 0.44 H new ATOM 0 HA PHE A 121 1.223 -4.778 8.224 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.015 -3.307 6.452 1.00 0.38 H new ATOM 0 HB3 PHE A 121 2.880 -4.619 5.676 1.00 0.38 H new ATOM 0 HD1 PHE A 121 1.853 -5.846 3.980 1.00 1.37 H new ATOM 0 HD2 PHE A 121 -0.566 -3.567 6.642 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -0.121 -6.337 2.602 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -2.540 -4.057 5.268 1.00 1.23 H new ATOM 0 HZ PHE A 121 -2.320 -5.441 3.245 1.00 0.67 H new ATOM 1689 N SER A 122 2.809 -7.309 6.855 1.00 0.44 N ATOM 1690 CA SER A 122 2.705 -8.726 6.550 1.00 0.50 C ATOM 1691 C SER A 122 2.608 -9.544 7.836 1.00 0.58 C ATOM 1692 O SER A 122 1.838 -10.502 7.922 1.00 0.80 O ATOM 1693 CB SER A 122 3.916 -9.167 5.728 1.00 0.57 C ATOM 1694 OG SER A 122 4.119 -8.300 4.623 1.00 1.31 O ATOM 0 H SER A 122 3.727 -6.904 6.671 1.00 0.44 H new ATOM 0 HA SER A 122 1.799 -8.897 5.968 1.00 0.50 H new ATOM 0 HB2 SER A 122 4.805 -9.174 6.358 1.00 0.57 H new ATOM 0 HB3 SER A 122 3.768 -10.187 5.373 1.00 0.57 H new ATOM 0 HG SER A 122 4.587 -7.493 4.922 1.00 1.31 H new ATOM 1700 N GLU A 123 3.376 -9.138 8.835 1.00 0.63 N ATOM 1701 CA GLU A 123 3.415 -9.829 10.111 1.00 0.81 C ATOM 1702 C GLU A 123 2.762 -8.974 11.195 1.00 0.92 C ATOM 1703 O GLU A 123 3.449 -8.380 12.031 1.00 1.44 O ATOM 1704 CB GLU A 123 4.865 -10.138 10.484 1.00 1.25 C ATOM 1705 CG GLU A 123 5.595 -10.994 9.460 1.00 1.57 C ATOM 1706 CD GLU A 123 5.127 -12.434 9.460 1.00 1.91 C ATOM 1707 OE1 GLU A 123 5.649 -13.228 10.273 1.00 2.53 O ATOM 1708 OE2 GLU A 123 4.245 -12.783 8.648 1.00 2.37 O ATOM 0 H GLU A 123 3.987 -8.323 8.783 1.00 0.63 H new ATOM 0 HA GLU A 123 2.861 -10.764 10.027 1.00 0.81 H new ATOM 0 HB2 GLU A 123 5.405 -9.200 10.610 1.00 1.25 H new ATOM 0 HB3 GLU A 123 4.882 -10.648 11.447 1.00 1.25 H new ATOM 0 HG2 GLU A 123 5.449 -10.569 8.467 1.00 1.57 H new ATOM 0 HG3 GLU A 123 6.665 -10.964 9.665 1.00 1.57 H new ATOM 1715 N GLU A 124 1.441 -8.906 11.170 1.00 1.15 N ATOM 1716 CA GLU A 124 0.702 -8.105 12.137 1.00 1.53 C ATOM 1717 C GLU A 124 0.419 -8.898 13.408 1.00 2.14 C ATOM 1718 O GLU A 124 0.502 -10.146 13.366 1.00 2.76 O ATOM 1719 CB GLU A 124 -0.595 -7.545 11.524 1.00 1.74 C ATOM 1720 CG GLU A 124 -1.341 -8.489 10.581 1.00 1.61 C ATOM 1721 CD GLU A 124 -1.995 -9.670 11.277 1.00 1.88 C ATOM 1722 OE1 GLU A 124 -2.722 -9.459 12.270 1.00 2.49 O ATOM 1723 OE2 GLU A 124 -1.811 -10.814 10.810 1.00 2.34 O ATOM 1724 OXT GLU A 124 0.124 -8.273 14.449 1.00 2.57 O ATOM 0 H GLU A 124 0.857 -9.395 10.492 1.00 1.15 H new ATOM 0 HA GLU A 124 1.328 -7.256 12.411 1.00 1.53 H new ATOM 0 HB2 GLU A 124 -1.267 -7.264 12.335 1.00 1.74 H new ATOM 0 HB3 GLU A 124 -0.354 -6.632 10.979 1.00 1.74 H new ATOM 0 HG2 GLU A 124 -2.107 -7.924 10.050 1.00 1.61 H new ATOM 0 HG3 GLU A 124 -0.643 -8.863 9.832 1.00 1.61 H new TER 1731 GLU A 124