USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 905 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 59 SER OG : rot -74:sc= 0.371 USER MOD Set 1.2: A 62 GLN : amide:sc= 1.11 K(o=1.5,f=-0.49) USER MOD Set 2.1: A 43 ASN : amide:sc= 0.196 K(o=-1.7,f=-2.5) USER MOD Set 2.2: A 58 ASN : amide:sc= 0.904 K(o=-1.7,f=-15!) USER MOD Set 2.3: A 79 CYS SG : rot -119:sc= -1.89 USER MOD Set 2.4: A 82 HIS : no HE2:sc= -0.873! C(o=-1.7!,f=-9.9!) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.235 (180deg=-0.8) USER MOD Single : A 1 MET N :NH3+ -167:sc=-0.00967 (180deg=-0.223) USER MOD Single : A 2 LYS NZ :NH3+ -132:sc= 1.15 (180deg=-0.494) USER MOD Single : A 3 ASN : amide:sc= -0.103 K(o=-0.1,f=-5!) USER MOD Single : A 4 THR OG1 : rot -174:sc= 0.623 USER MOD Single : A 13 SER OG : rot 96:sc= 0.514 USER MOD Single : A 14 GLN : amide:sc= 0.127 K(o=0.13,f=-1.6) USER MOD Single : A 15 ASN : amide:sc= -3.69! K(o=-3.7!,f=-0.66) USER MOD Single : A 17 LYS NZ :NH3+ -146:sc= 1.18 (180deg=0.144) USER MOD Single : A 25 THR OG1 : rot -119:sc= 0.176! USER MOD Single : A 27 HIS : no HD1:sc= 0.207 K(o=0.33,f=-4.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 1.02 (180deg=1.02) USER MOD Single : A 30 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.066) USER MOD Single : A 32 GLN : amide:sc= 0.558 K(o=0.56,f=-0.86) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.0445 K(o=0.044,f=-3.5!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -161:sc= -0.099 (180deg=-0.879) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0.648 (180deg=0.547) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -126:sc=-0.00542 (180deg=-1.77!) USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.13) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= -0.0274 (180deg=-0.236) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -169:sc= -0.0283 (180deg=-0.225) USER MOD Single : A 89 LYS NZ :NH3+ -104:sc= -0.946 (180deg=-3.15!) USER MOD Single : A 90 SER OG : rot 36:sc= 0.392 USER MOD Single : A 91 THR OG1 : rot 160:sc= -0.292 USER MOD Single : A 92 GLN : amide:sc= -0.87 K(o=-0.87,f=-0.019) USER MOD Single : A 93 LYS NZ :NH3+ 138:sc= -1.35 (180deg=-3.68!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -169:sc= -0.167 (180deg=-0.24) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.18) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HE2:sc= 0.587 K(o=0.59,f=-1.9!) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -0.11 K(o=-0.11,f=-0.64) USER MOD Single : A 113 HIS : no HD1:sc=-0.00916 X(o=-0.0092,f=-0.43) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.034 -23.640 -4.896 1.00 22.11 N ATOM 2 CA MET A 1 11.665 -22.376 -4.429 1.00 24.31 C ATOM 3 C MET A 1 12.806 -21.931 -5.359 1.00 72.24 C ATOM 4 O MET A 1 13.570 -22.755 -5.866 1.00 44.03 O ATOM 5 CB MET A 1 12.216 -22.546 -3.004 1.00 42.14 C ATOM 6 CG MET A 1 11.165 -22.909 -1.963 1.00 45.34 C ATOM 7 SD MET A 1 11.874 -23.156 -0.323 1.00 22.31 S ATOM 8 CE MET A 1 12.985 -24.529 -0.630 1.00 13.41 C ATOM 0 H1 MET A 1 10.142 -23.792 -4.384 1.00 22.11 H new ATOM 0 H2 MET A 1 10.841 -23.576 -5.916 1.00 22.11 H new ATOM 0 H3 MET A 1 11.677 -24.437 -4.715 1.00 22.11 H new ATOM 0 HA MET A 1 10.891 -21.609 -4.439 1.00 24.31 H new ATOM 0 HB2 MET A 1 12.983 -23.321 -3.014 1.00 42.14 H new ATOM 0 HB3 MET A 1 12.703 -21.619 -2.703 1.00 42.14 H new ATOM 0 HG2 MET A 1 10.416 -22.118 -1.916 1.00 45.34 H new ATOM 0 HG3 MET A 1 10.650 -23.818 -2.273 1.00 45.34 H new ATOM 0 HE1 MET A 1 13.208 -25.034 0.310 1.00 13.41 H new ATOM 0 HE2 MET A 1 12.514 -25.232 -1.317 1.00 13.41 H new ATOM 0 HE3 MET A 1 13.910 -24.157 -1.070 1.00 13.41 H new ATOM 20 N LYS A 2 12.894 -20.622 -5.590 1.00 12.04 N ATOM 21 CA LYS A 2 14.030 -20.010 -6.297 1.00 3.21 C ATOM 22 C LYS A 2 14.441 -18.711 -5.589 1.00 13.22 C ATOM 23 O LYS A 2 13.694 -17.731 -5.580 1.00 25.51 O ATOM 24 CB LYS A 2 13.685 -19.744 -7.772 1.00 11.25 C ATOM 25 CG LYS A 2 13.581 -21.016 -8.612 1.00 65.22 C ATOM 26 CD LYS A 2 14.928 -21.736 -8.718 1.00 44.52 C ATOM 27 CE LYS A 2 14.779 -23.155 -9.259 1.00 11.33 C ATOM 28 NZ LYS A 2 13.999 -24.020 -8.333 1.00 61.35 N ATOM 0 H LYS A 2 12.184 -19.952 -5.295 1.00 12.04 H new ATOM 0 HA LYS A 2 14.870 -20.705 -6.277 1.00 3.21 H new ATOM 0 HB2 LYS A 2 12.739 -19.205 -7.824 1.00 11.25 H new ATOM 0 HB3 LYS A 2 14.446 -19.094 -8.204 1.00 11.25 H new ATOM 0 HG2 LYS A 2 12.844 -21.686 -8.169 1.00 65.22 H new ATOM 0 HG3 LYS A 2 13.223 -20.765 -9.610 1.00 65.22 H new ATOM 0 HD2 LYS A 2 15.592 -21.168 -9.370 1.00 44.52 H new ATOM 0 HD3 LYS A 2 15.398 -21.771 -7.735 1.00 44.52 H new ATOM 0 HE2 LYS A 2 14.285 -23.124 -10.230 1.00 11.33 H new ATOM 0 HE3 LYS A 2 15.766 -23.589 -9.417 1.00 11.33 H new ATOM 0 HZ1 LYS A 2 14.501 -24.920 -8.193 1.00 61.35 H new ATOM 0 HZ2 LYS A 2 13.889 -23.538 -7.418 1.00 61.35 H new ATOM 0 HZ3 LYS A 2 13.061 -24.207 -8.740 1.00 61.35 H new ATOM 42 N ASN A 3 15.631 -18.726 -4.999 1.00 42.23 N ATOM 43 CA ASN A 3 16.091 -17.650 -4.112 1.00 71.12 C ATOM 44 C ASN A 3 16.013 -16.252 -4.756 1.00 74.11 C ATOM 45 O ASN A 3 16.469 -16.038 -5.882 1.00 43.23 O ATOM 46 CB ASN A 3 17.517 -17.939 -3.647 1.00 33.44 C ATOM 47 CG ASN A 3 17.601 -19.273 -2.934 1.00 32.21 C ATOM 48 OD1 ASN A 3 17.053 -20.274 -3.389 1.00 54.13 O ATOM 49 ND2 ASN A 3 18.239 -19.292 -1.793 1.00 72.44 N ATOM 0 H ASN A 3 16.307 -19.480 -5.118 1.00 42.23 H new ATOM 0 HA ASN A 3 15.413 -17.632 -3.258 1.00 71.12 H new ATOM 0 HB2 ASN A 3 18.189 -17.939 -4.505 1.00 33.44 H new ATOM 0 HB3 ASN A 3 17.853 -17.145 -2.980 1.00 33.44 H new ATOM 0 HD21 ASN A 3 18.292 -20.156 -1.253 1.00 72.44 H new ATOM 0 HD22 ASN A 3 18.683 -18.443 -1.443 1.00 72.44 H new ATOM 56 N THR A 4 15.424 -15.310 -4.024 1.00 43.25 N ATOM 57 CA THR A 4 15.336 -13.911 -4.463 1.00 70.12 C ATOM 58 C THR A 4 16.465 -13.073 -3.846 1.00 3.25 C ATOM 59 O THR A 4 17.069 -13.464 -2.845 1.00 55.50 O ATOM 60 CB THR A 4 13.975 -13.277 -4.075 1.00 42.12 C ATOM 61 OG1 THR A 4 13.810 -13.284 -2.647 1.00 24.10 O ATOM 62 CG2 THR A 4 12.814 -14.025 -4.727 1.00 13.23 C ATOM 0 H THR A 4 14.996 -15.488 -3.116 1.00 43.25 H new ATOM 0 HA THR A 4 15.430 -13.914 -5.549 1.00 70.12 H new ATOM 0 HB THR A 4 13.972 -12.248 -4.435 1.00 42.12 H new ATOM 0 HG1 THR A 4 12.913 -12.962 -2.420 1.00 24.10 H new ATOM 0 HG21 THR A 4 11.872 -13.559 -4.437 1.00 13.23 H new ATOM 0 HG22 THR A 4 12.920 -13.987 -5.811 1.00 13.23 H new ATOM 0 HG23 THR A 4 12.820 -15.064 -4.398 1.00 13.23 H new ATOM 70 N GLY A 5 16.764 -11.930 -4.457 1.00 2.25 N ATOM 71 CA GLY A 5 17.792 -11.038 -3.919 1.00 11.13 C ATOM 72 C GLY A 5 17.426 -9.560 -4.022 1.00 13.15 C ATOM 73 O GLY A 5 18.199 -8.687 -3.612 1.00 1.33 O ATOM 0 H GLY A 5 16.318 -11.601 -5.313 1.00 2.25 H new ATOM 0 HA2 GLY A 5 17.969 -11.289 -2.873 1.00 11.13 H new ATOM 0 HA3 GLY A 5 18.727 -11.211 -4.451 1.00 11.13 H new ATOM 77 N ASP A 6 16.247 -9.277 -4.569 1.00 74.11 N ATOM 78 CA ASP A 6 15.770 -7.901 -4.740 1.00 62.20 C ATOM 79 C ASP A 6 15.148 -7.382 -3.433 1.00 42.40 C ATOM 80 O ASP A 6 13.927 -7.356 -3.281 1.00 21.42 O ATOM 81 CB ASP A 6 14.744 -7.859 -5.876 1.00 74.31 C ATOM 82 CG ASP A 6 15.176 -8.709 -7.060 1.00 11.32 C ATOM 83 OD1 ASP A 6 14.896 -9.928 -7.058 1.00 24.15 O ATOM 84 OD2 ASP A 6 15.810 -8.172 -7.989 1.00 54.40 O ATOM 0 H ASP A 6 15.597 -9.987 -4.905 1.00 74.11 H new ATOM 0 HA ASP A 6 16.612 -7.257 -4.993 1.00 62.20 H new ATOM 0 HB2 ASP A 6 13.780 -8.211 -5.508 1.00 74.31 H new ATOM 0 HB3 ASP A 6 14.604 -6.828 -6.201 1.00 74.31 H new ATOM 89 N GLU A 7 16.002 -6.984 -2.491 1.00 75.33 N ATOM 90 CA GLU A 7 15.566 -6.657 -1.123 1.00 41.20 C ATOM 91 C GLU A 7 14.974 -5.241 -1.000 1.00 32.23 C ATOM 92 O GLU A 7 15.699 -4.240 -0.985 1.00 2.32 O ATOM 93 CB GLU A 7 16.738 -6.847 -0.150 1.00 52.33 C ATOM 94 CG GLU A 7 17.243 -8.286 -0.092 1.00 24.44 C ATOM 95 CD GLU A 7 18.401 -8.476 0.877 1.00 5.14 C ATOM 96 OE1 GLU A 7 18.145 -8.680 2.085 1.00 15.15 O ATOM 97 OE2 GLU A 7 19.568 -8.430 0.441 1.00 53.24 O ATOM 0 H GLU A 7 17.005 -6.878 -2.646 1.00 75.33 H new ATOM 0 HA GLU A 7 14.759 -7.343 -0.866 1.00 41.20 H new ATOM 0 HB2 GLU A 7 17.558 -6.193 -0.446 1.00 52.33 H new ATOM 0 HB3 GLU A 7 16.428 -6.537 0.848 1.00 52.33 H new ATOM 0 HG2 GLU A 7 16.422 -8.941 0.200 1.00 24.44 H new ATOM 0 HG3 GLU A 7 17.558 -8.594 -1.089 1.00 24.44 H new ATOM 104 N VAL A 8 13.642 -5.171 -0.896 1.00 44.32 N ATOM 105 CA VAL A 8 12.918 -3.896 -0.773 1.00 44.20 C ATOM 106 C VAL A 8 11.787 -3.967 0.275 1.00 44.11 C ATOM 107 O VAL A 8 11.320 -5.051 0.640 1.00 32.21 O ATOM 108 CB VAL A 8 12.299 -3.468 -2.129 1.00 20.04 C ATOM 109 CG1 VAL A 8 13.381 -3.233 -3.180 1.00 31.43 C ATOM 110 CG2 VAL A 8 11.289 -4.510 -2.608 1.00 62.43 C ATOM 0 H VAL A 8 13.036 -5.991 -0.894 1.00 44.32 H new ATOM 0 HA VAL A 8 13.656 -3.162 -0.451 1.00 44.20 H new ATOM 0 HB VAL A 8 11.774 -2.524 -1.979 1.00 20.04 H new ATOM 0 HG11 VAL A 8 12.917 -2.934 -4.120 1.00 31.43 H new ATOM 0 HG12 VAL A 8 14.053 -2.445 -2.841 1.00 31.43 H new ATOM 0 HG13 VAL A 8 13.947 -4.152 -3.331 1.00 31.43 H new ATOM 0 HG21 VAL A 8 10.864 -4.194 -3.561 1.00 62.43 H new ATOM 0 HG22 VAL A 8 11.789 -5.470 -2.734 1.00 62.43 H new ATOM 0 HG23 VAL A 8 10.492 -4.610 -1.871 1.00 62.43 H new ATOM 120 N VAL A 9 11.352 -2.798 0.748 1.00 33.45 N ATOM 121 CA VAL A 9 10.231 -2.689 1.697 1.00 71.01 C ATOM 122 C VAL A 9 9.221 -1.624 1.230 1.00 22.44 C ATOM 123 O VAL A 9 9.597 -0.620 0.622 1.00 11.15 O ATOM 124 CB VAL A 9 10.724 -2.335 3.128 1.00 31.43 C ATOM 125 CG1 VAL A 9 11.615 -3.444 3.692 1.00 3.32 C ATOM 126 CG2 VAL A 9 11.463 -0.994 3.141 1.00 33.34 C ATOM 0 H VAL A 9 11.762 -1.901 0.488 1.00 33.45 H new ATOM 0 HA VAL A 9 9.744 -3.664 1.728 1.00 71.01 H new ATOM 0 HB VAL A 9 9.845 -2.245 3.767 1.00 31.43 H new ATOM 0 HG11 VAL A 9 11.946 -3.171 4.694 1.00 3.32 H new ATOM 0 HG12 VAL A 9 11.051 -4.376 3.738 1.00 3.32 H new ATOM 0 HG13 VAL A 9 12.483 -3.577 3.047 1.00 3.32 H new ATOM 0 HG21 VAL A 9 11.796 -0.772 4.155 1.00 33.34 H new ATOM 0 HG22 VAL A 9 12.327 -1.048 2.479 1.00 33.34 H new ATOM 0 HG23 VAL A 9 10.792 -0.206 2.799 1.00 33.34 H new ATOM 136 N ALA A 10 7.938 -1.851 1.512 1.00 21.23 N ATOM 137 CA ALA A 10 6.877 -0.925 1.099 1.00 11.31 C ATOM 138 C ALA A 10 6.469 0.025 2.236 1.00 14.20 C ATOM 139 O ALA A 10 5.966 -0.409 3.274 1.00 52.50 O ATOM 140 CB ALA A 10 5.661 -1.709 0.607 1.00 12.31 C ATOM 0 H ALA A 10 7.606 -2.668 2.025 1.00 21.23 H new ATOM 0 HA ALA A 10 7.270 -0.314 0.286 1.00 11.31 H new ATOM 0 HB1 ALA A 10 4.879 -1.014 0.303 1.00 12.31 H new ATOM 0 HB2 ALA A 10 5.947 -2.328 -0.243 1.00 12.31 H new ATOM 0 HB3 ALA A 10 5.289 -2.345 1.410 1.00 12.31 H new ATOM 146 N ILE A 11 6.690 1.322 2.034 1.00 54.33 N ATOM 147 CA ILE A 11 6.288 2.343 3.008 1.00 44.31 C ATOM 148 C ILE A 11 4.938 2.964 2.615 1.00 13.50 C ATOM 149 O ILE A 11 4.773 3.458 1.500 1.00 11.14 O ATOM 150 CB ILE A 11 7.351 3.468 3.112 1.00 65.24 C ATOM 151 CG1 ILE A 11 8.740 2.877 3.424 1.00 64.43 C ATOM 152 CG2 ILE A 11 6.954 4.497 4.173 1.00 33.24 C ATOM 153 CD1 ILE A 11 8.814 2.119 4.735 1.00 11.44 C ATOM 0 H ILE A 11 7.147 1.695 1.202 1.00 54.33 H new ATOM 0 HA ILE A 11 6.196 1.851 3.976 1.00 44.31 H new ATOM 0 HB ILE A 11 7.402 3.975 2.149 1.00 65.24 H new ATOM 0 HG12 ILE A 11 9.028 2.207 2.614 1.00 64.43 H new ATOM 0 HG13 ILE A 11 9.470 3.686 3.443 1.00 64.43 H new ATOM 0 HG21 ILE A 11 7.715 5.276 4.227 1.00 33.24 H new ATOM 0 HG22 ILE A 11 5.996 4.944 3.906 1.00 33.24 H new ATOM 0 HG23 ILE A 11 6.868 4.006 5.142 1.00 33.24 H new ATOM 0 HD11 ILE A 11 9.825 1.736 4.878 1.00 11.44 H new ATOM 0 HD12 ILE A 11 8.560 2.788 5.557 1.00 11.44 H new ATOM 0 HD13 ILE A 11 8.111 1.287 4.714 1.00 11.44 H new ATOM 165 N ILE A 12 3.968 2.925 3.524 1.00 3.52 N ATOM 166 CA ILE A 12 2.637 3.480 3.254 1.00 1.23 C ATOM 167 C ILE A 12 2.439 4.825 3.976 1.00 0.11 C ATOM 168 O ILE A 12 2.368 4.876 5.207 1.00 10.43 O ATOM 169 CB ILE A 12 1.496 2.507 3.679 1.00 51.12 C ATOM 170 CG1 ILE A 12 1.556 1.177 2.892 1.00 1.45 C ATOM 171 CG2 ILE A 12 0.133 3.172 3.484 1.00 61.30 C ATOM 172 CD1 ILE A 12 2.712 0.272 3.273 1.00 30.12 C ATOM 0 H ILE A 12 4.074 2.517 4.453 1.00 3.52 H new ATOM 0 HA ILE A 12 2.583 3.630 2.176 1.00 1.23 H new ATOM 0 HB ILE A 12 1.636 2.276 4.735 1.00 51.12 H new ATOM 0 HG12 ILE A 12 0.622 0.636 3.045 1.00 1.45 H new ATOM 0 HG13 ILE A 12 1.623 1.402 1.828 1.00 1.45 H new ATOM 0 HG21 ILE A 12 -0.655 2.482 3.785 1.00 61.30 H new ATOM 0 HG22 ILE A 12 0.078 4.074 4.094 1.00 61.30 H new ATOM 0 HG23 ILE A 12 0.004 3.435 2.434 1.00 61.30 H new ATOM 0 HD11 ILE A 12 2.676 -0.637 2.672 1.00 30.12 H new ATOM 0 HD12 ILE A 12 3.654 0.790 3.092 1.00 30.12 H new ATOM 0 HD13 ILE A 12 2.638 0.012 4.329 1.00 30.12 H new ATOM 184 N SER A 13 2.355 5.908 3.204 1.00 5.12 N ATOM 185 CA SER A 13 2.112 7.250 3.756 1.00 44.11 C ATOM 186 C SER A 13 0.699 7.755 3.415 1.00 70.52 C ATOM 187 O SER A 13 0.310 7.814 2.251 1.00 61.43 O ATOM 188 CB SER A 13 3.151 8.245 3.215 1.00 62.40 C ATOM 189 OG SER A 13 4.467 7.867 3.583 1.00 72.41 O ATOM 0 H SER A 13 2.452 5.887 2.189 1.00 5.12 H new ATOM 0 HA SER A 13 2.200 7.178 4.840 1.00 44.11 H new ATOM 0 HB2 SER A 13 3.076 8.298 2.129 1.00 62.40 H new ATOM 0 HB3 SER A 13 2.936 9.243 3.598 1.00 62.40 H new ATOM 0 HG SER A 13 4.877 7.358 2.853 1.00 72.41 H new ATOM 195 N GLN A 14 -0.057 8.154 4.436 1.00 3.51 N ATOM 196 CA GLN A 14 -1.416 8.683 4.247 1.00 72.25 C ATOM 197 C GLN A 14 -1.515 10.135 4.742 1.00 63.41 C ATOM 198 O GLN A 14 -1.027 10.463 5.824 1.00 3.33 O ATOM 199 CB GLN A 14 -2.439 7.804 4.983 1.00 13.32 C ATOM 200 CG GLN A 14 -3.879 8.305 4.881 1.00 3.25 C ATOM 201 CD GLN A 14 -4.868 7.424 5.630 1.00 34.33 C ATOM 202 OE1 GLN A 14 -4.527 6.785 6.620 1.00 44.41 O ATOM 203 NE2 GLN A 14 -6.107 7.402 5.180 1.00 32.21 N ATOM 0 H GLN A 14 0.246 8.123 5.409 1.00 3.51 H new ATOM 0 HA GLN A 14 -1.639 8.668 3.180 1.00 72.25 H new ATOM 0 HB2 GLN A 14 -2.388 6.792 4.581 1.00 13.32 H new ATOM 0 HB3 GLN A 14 -2.160 7.744 6.035 1.00 13.32 H new ATOM 0 HG2 GLN A 14 -3.934 9.320 5.275 1.00 3.25 H new ATOM 0 HG3 GLN A 14 -4.167 8.355 3.831 1.00 3.25 H new ATOM 0 HE21 GLN A 14 -6.359 7.945 4.354 1.00 32.21 H new ATOM 0 HE22 GLN A 14 -6.813 6.842 5.658 1.00 32.21 H new ATOM 212 N ASN A 15 -2.120 11.003 3.925 1.00 43.02 N ATOM 213 CA ASN A 15 -2.335 12.421 4.281 1.00 13.43 C ATOM 214 C ASN A 15 -1.010 13.195 4.428 1.00 60.15 C ATOM 215 O ASN A 15 -0.993 14.330 4.914 1.00 61.20 O ATOM 216 CB ASN A 15 -3.170 12.546 5.572 1.00 72.42 C ATOM 217 CG ASN A 15 -4.632 12.151 5.392 1.00 44.33 C ATOM 218 OD1 ASN A 15 -5.511 12.661 6.083 1.00 74.11 O ATOM 219 ND2 ASN A 15 -4.913 11.250 4.470 1.00 60.22 N ATOM 0 H ASN A 15 -2.475 10.751 3.003 1.00 43.02 H new ATOM 0 HA ASN A 15 -2.888 12.870 3.456 1.00 13.43 H new ATOM 0 HB2 ASN A 15 -2.725 11.919 6.345 1.00 72.42 H new ATOM 0 HB3 ASN A 15 -3.121 13.575 5.929 1.00 72.42 H new ATOM 0 HD21 ASN A 15 -5.879 10.961 4.317 1.00 60.22 H new ATOM 0 HD22 ASN A 15 -4.164 10.842 3.910 1.00 60.22 H new ATOM 226 N GLY A 16 0.090 12.593 3.981 1.00 13.35 N ATOM 227 CA GLY A 16 1.395 13.247 4.047 1.00 0.03 C ATOM 228 C GLY A 16 2.297 12.716 5.161 1.00 52.31 C ATOM 229 O GLY A 16 3.336 13.308 5.453 1.00 20.20 O ATOM 0 H GLY A 16 0.104 11.659 3.571 1.00 13.35 H new ATOM 0 HA2 GLY A 16 1.903 13.121 3.091 1.00 0.03 H new ATOM 0 HA3 GLY A 16 1.247 14.317 4.191 1.00 0.03 H new ATOM 233 N LYS A 17 1.907 11.607 5.790 1.00 4.45 N ATOM 234 CA LYS A 17 2.733 10.984 6.835 1.00 42.31 C ATOM 235 C LYS A 17 2.640 9.449 6.795 1.00 21.11 C ATOM 236 O LYS A 17 1.591 8.889 6.485 1.00 23.15 O ATOM 237 CB LYS A 17 2.316 11.481 8.227 1.00 14.13 C ATOM 238 CG LYS A 17 0.880 11.124 8.609 1.00 72.42 C ATOM 239 CD LYS A 17 0.584 11.421 10.081 1.00 4.51 C ATOM 240 CE LYS A 17 1.455 10.586 11.018 1.00 50.21 C ATOM 241 NZ LYS A 17 1.263 9.122 10.809 1.00 64.01 N ATOM 0 H LYS A 17 1.031 11.121 5.599 1.00 4.45 H new ATOM 0 HA LYS A 17 3.765 11.273 6.639 1.00 42.31 H new ATOM 0 HB2 LYS A 17 2.994 11.061 8.970 1.00 14.13 H new ATOM 0 HB3 LYS A 17 2.433 12.564 8.265 1.00 14.13 H new ATOM 0 HG2 LYS A 17 0.188 11.685 7.980 1.00 72.42 H new ATOM 0 HG3 LYS A 17 0.705 10.067 8.411 1.00 72.42 H new ATOM 0 HD2 LYS A 17 0.751 12.480 10.278 1.00 4.51 H new ATOM 0 HD3 LYS A 17 -0.467 11.220 10.287 1.00 4.51 H new ATOM 0 HE2 LYS A 17 2.503 10.840 10.860 1.00 50.21 H new ATOM 0 HE3 LYS A 17 1.219 10.838 12.052 1.00 50.21 H new ATOM 0 HZ1 LYS A 17 1.359 8.626 11.718 1.00 64.01 H new ATOM 0 HZ2 LYS A 17 0.315 8.948 10.419 1.00 64.01 H new ATOM 0 HZ3 LYS A 17 1.981 8.769 10.144 1.00 64.01 H new ATOM 255 N VAL A 18 3.742 8.782 7.126 1.00 2.11 N ATOM 256 CA VAL A 18 3.774 7.317 7.189 1.00 32.11 C ATOM 257 C VAL A 18 2.761 6.778 8.218 1.00 5.44 C ATOM 258 O VAL A 18 2.591 7.351 9.300 1.00 12.15 O ATOM 259 CB VAL A 18 5.192 6.801 7.549 1.00 73.23 C ATOM 260 CG1 VAL A 18 5.232 5.272 7.572 1.00 12.42 C ATOM 261 CG2 VAL A 18 6.232 7.356 6.573 1.00 71.14 C ATOM 0 H VAL A 18 4.629 9.231 7.356 1.00 2.11 H new ATOM 0 HA VAL A 18 3.502 6.951 6.199 1.00 32.11 H new ATOM 0 HB VAL A 18 5.436 7.157 8.550 1.00 73.23 H new ATOM 0 HG11 VAL A 18 6.238 4.938 7.827 1.00 12.42 H new ATOM 0 HG12 VAL A 18 4.527 4.901 8.316 1.00 12.42 H new ATOM 0 HG13 VAL A 18 4.960 4.886 6.590 1.00 12.42 H new ATOM 0 HG21 VAL A 18 7.220 6.982 6.843 1.00 71.14 H new ATOM 0 HG22 VAL A 18 5.987 7.037 5.560 1.00 71.14 H new ATOM 0 HG23 VAL A 18 6.231 8.445 6.620 1.00 71.14 H new ATOM 271 N ILE A 19 2.064 5.699 7.863 1.00 73.32 N ATOM 272 CA ILE A 19 1.101 5.063 8.771 1.00 14.21 C ATOM 273 C ILE A 19 1.383 3.562 8.965 1.00 60.51 C ATOM 274 O ILE A 19 0.801 2.930 9.850 1.00 23.32 O ATOM 275 CB ILE A 19 -0.357 5.231 8.269 1.00 73.43 C ATOM 276 CG1 ILE A 19 -0.536 4.558 6.896 1.00 20.01 C ATOM 277 CG2 ILE A 19 -0.739 6.710 8.204 1.00 62.03 C ATOM 278 CD1 ILE A 19 -1.969 4.545 6.403 1.00 34.50 C ATOM 0 H ILE A 19 2.146 5.244 6.954 1.00 73.32 H new ATOM 0 HA ILE A 19 1.219 5.571 9.728 1.00 14.21 H new ATOM 0 HB ILE A 19 -1.024 4.741 8.979 1.00 73.43 H new ATOM 0 HG12 ILE A 19 0.085 5.075 6.165 1.00 20.01 H new ATOM 0 HG13 ILE A 19 -0.172 3.532 6.955 1.00 20.01 H new ATOM 0 HG21 ILE A 19 -1.765 6.805 7.850 1.00 62.03 H new ATOM 0 HG22 ILE A 19 -0.656 7.151 9.197 1.00 62.03 H new ATOM 0 HG23 ILE A 19 -0.069 7.229 7.519 1.00 62.03 H new ATOM 0 HD11 ILE A 19 -2.015 4.055 5.431 1.00 34.50 H new ATOM 0 HD12 ILE A 19 -2.593 4.002 7.113 1.00 34.50 H new ATOM 0 HD13 ILE A 19 -2.331 5.569 6.311 1.00 34.50 H new ATOM 290 N ARG A 20 2.255 2.991 8.127 1.00 53.32 N ATOM 291 CA ARG A 20 2.596 1.563 8.230 1.00 3.54 C ATOM 292 C ARG A 20 3.732 1.176 7.260 1.00 24.22 C ATOM 293 O ARG A 20 3.794 1.668 6.133 1.00 3.53 O ATOM 294 CB ARG A 20 1.351 0.702 7.949 1.00 75.34 C ATOM 295 CG ARG A 20 1.484 -0.754 8.383 1.00 65.31 C ATOM 296 CD ARG A 20 1.712 -0.881 9.888 1.00 34.04 C ATOM 297 NE ARG A 20 0.646 -0.250 10.669 1.00 73.53 N ATOM 298 CZ ARG A 20 0.330 -0.588 11.889 1.00 22.14 C ATOM 299 NH1 ARG A 20 0.989 -1.512 12.512 1.00 62.25 N ATOM 300 NH2 ARG A 20 -0.639 0.018 12.490 1.00 23.01 N ATOM 0 H ARG A 20 2.735 3.488 7.376 1.00 53.32 H new ATOM 0 HA ARG A 20 2.947 1.378 9.245 1.00 3.54 H new ATOM 0 HB2 ARG A 20 0.495 1.144 8.459 1.00 75.34 H new ATOM 0 HB3 ARG A 20 1.136 0.732 6.881 1.00 75.34 H new ATOM 0 HG2 ARG A 20 0.582 -1.299 8.105 1.00 65.31 H new ATOM 0 HG3 ARG A 20 2.314 -1.217 7.850 1.00 65.31 H new ATOM 0 HD2 ARG A 20 1.779 -1.936 10.155 1.00 34.04 H new ATOM 0 HD3 ARG A 20 2.668 -0.425 10.148 1.00 34.04 H new ATOM 0 HE ARG A 20 0.116 0.503 10.231 1.00 73.53 H new ATOM 0 HH11 ARG A 20 1.765 -1.985 12.049 1.00 62.25 H new ATOM 0 HH12 ARG A 20 0.732 -1.767 13.466 1.00 62.25 H new ATOM 0 HH21 ARG A 20 -1.153 0.757 12.011 1.00 23.01 H new ATOM 0 HH22 ARG A 20 -0.890 -0.242 13.444 1.00 23.01 H new ATOM 314 N GLU A 21 4.625 0.288 7.711 1.00 1.43 N ATOM 315 CA GLU A 21 5.754 -0.183 6.886 1.00 52.33 C ATOM 316 C GLU A 21 5.761 -1.723 6.794 1.00 72.20 C ATOM 317 O GLU A 21 5.883 -2.405 7.815 1.00 24.21 O ATOM 318 CB GLU A 21 7.103 0.292 7.474 1.00 52.22 C ATOM 319 CG GLU A 21 7.070 1.660 8.166 1.00 32.01 C ATOM 320 CD GLU A 21 6.495 1.596 9.579 1.00 74.24 C ATOM 321 OE1 GLU A 21 7.115 0.939 10.447 1.00 60.14 O ATOM 322 OE2 GLU A 21 5.420 2.173 9.828 1.00 42.31 O ATOM 0 H GLU A 21 4.591 -0.122 8.644 1.00 1.43 H new ATOM 0 HA GLU A 21 5.627 0.238 5.889 1.00 52.33 H new ATOM 0 HB2 GLU A 21 7.450 -0.452 8.192 1.00 52.22 H new ATOM 0 HB3 GLU A 21 7.839 0.327 6.670 1.00 52.22 H new ATOM 0 HG2 GLU A 21 8.081 2.065 8.208 1.00 32.01 H new ATOM 0 HG3 GLU A 21 6.475 2.350 7.568 1.00 32.01 H new ATOM 329 N ILE A 22 5.635 -2.269 5.579 1.00 35.51 N ATOM 330 CA ILE A 22 5.630 -3.732 5.382 1.00 64.05 C ATOM 331 C ILE A 22 6.847 -4.202 4.557 1.00 42.04 C ATOM 332 O ILE A 22 7.081 -3.713 3.448 1.00 64.25 O ATOM 333 CB ILE A 22 4.333 -4.234 4.671 1.00 74.12 C ATOM 334 CG1 ILE A 22 3.081 -4.008 5.545 1.00 42.32 C ATOM 335 CG2 ILE A 22 4.455 -5.714 4.302 1.00 25.55 C ATOM 336 CD1 ILE A 22 2.627 -2.567 5.619 1.00 52.43 C ATOM 0 H ILE A 22 5.535 -1.728 4.720 1.00 35.51 H new ATOM 0 HA ILE A 22 5.675 -4.159 6.384 1.00 64.05 H new ATOM 0 HB ILE A 22 4.217 -3.650 3.758 1.00 74.12 H new ATOM 0 HG12 ILE A 22 2.264 -4.615 5.154 1.00 42.32 H new ATOM 0 HG13 ILE A 22 3.287 -4.364 6.554 1.00 42.32 H new ATOM 0 HG21 ILE A 22 3.541 -6.042 3.808 1.00 25.55 H new ATOM 0 HG22 ILE A 22 5.301 -5.853 3.629 1.00 25.55 H new ATOM 0 HG23 ILE A 22 4.611 -6.303 5.206 1.00 25.55 H new ATOM 0 HD11 ILE A 22 1.743 -2.496 6.252 1.00 52.43 H new ATOM 0 HD12 ILE A 22 3.425 -1.955 6.040 1.00 52.43 H new ATOM 0 HD13 ILE A 22 2.386 -2.210 4.618 1.00 52.43 H new ATOM 348 N PRO A 23 7.644 -5.157 5.086 1.00 33.01 N ATOM 349 CA PRO A 23 8.748 -5.780 4.337 1.00 35.04 C ATOM 350 C PRO A 23 8.245 -6.688 3.197 1.00 45.23 C ATOM 351 O PRO A 23 7.477 -7.626 3.430 1.00 20.20 O ATOM 352 CB PRO A 23 9.499 -6.608 5.403 1.00 43.53 C ATOM 353 CG PRO A 23 8.964 -6.141 6.720 1.00 43.52 C ATOM 354 CD PRO A 23 7.556 -5.686 6.456 1.00 32.43 C ATOM 0 HA PRO A 23 9.375 -5.034 3.849 1.00 35.04 H new ATOM 0 HB2 PRO A 23 9.326 -7.675 5.265 1.00 43.53 H new ATOM 0 HB3 PRO A 23 10.575 -6.449 5.338 1.00 43.53 H new ATOM 0 HG2 PRO A 23 8.983 -6.945 7.456 1.00 43.52 H new ATOM 0 HG3 PRO A 23 9.569 -5.327 7.121 1.00 43.52 H new ATOM 0 HD2 PRO A 23 6.844 -6.508 6.529 1.00 32.43 H new ATOM 0 HD3 PRO A 23 7.236 -4.923 7.166 1.00 32.43 H new ATOM 362 N LEU A 24 8.675 -6.406 1.966 1.00 74.21 N ATOM 363 CA LEU A 24 8.250 -7.196 0.802 1.00 50.30 C ATOM 364 C LEU A 24 9.127 -8.441 0.617 1.00 25.24 C ATOM 365 O LEU A 24 8.630 -9.567 0.601 1.00 13.22 O ATOM 366 CB LEU A 24 8.284 -6.332 -0.468 1.00 72.31 C ATOM 367 CG LEU A 24 7.382 -5.083 -0.434 1.00 31.24 C ATOM 368 CD1 LEU A 24 7.481 -4.308 -1.746 1.00 35.21 C ATOM 369 CD2 LEU A 24 5.930 -5.472 -0.145 1.00 45.40 C ATOM 0 H LEU A 24 9.314 -5.642 1.747 1.00 74.21 H new ATOM 0 HA LEU A 24 7.228 -7.530 0.982 1.00 50.30 H new ATOM 0 HB2 LEU A 24 9.312 -6.014 -0.645 1.00 72.31 H new ATOM 0 HB3 LEU A 24 7.991 -6.950 -1.317 1.00 72.31 H new ATOM 0 HG LEU A 24 7.729 -4.435 0.371 1.00 31.24 H new ATOM 0 HD11 LEU A 24 6.836 -3.430 -1.700 1.00 35.21 H new ATOM 0 HD12 LEU A 24 8.512 -3.993 -1.905 1.00 35.21 H new ATOM 0 HD13 LEU A 24 7.165 -4.947 -2.571 1.00 35.21 H new ATOM 0 HD21 LEU A 24 5.310 -4.576 -0.125 1.00 45.40 H new ATOM 0 HD22 LEU A 24 5.571 -6.144 -0.925 1.00 45.40 H new ATOM 0 HD23 LEU A 24 5.873 -5.974 0.821 1.00 45.40 H new ATOM 381 N THR A 25 10.433 -8.236 0.479 1.00 11.14 N ATOM 382 CA THR A 25 11.370 -9.350 0.283 1.00 30.03 C ATOM 383 C THR A 25 11.424 -10.260 1.515 1.00 64.41 C ATOM 384 O THR A 25 11.650 -9.801 2.635 1.00 55.01 O ATOM 385 CB THR A 25 12.794 -8.845 -0.033 1.00 40.12 C ATOM 386 OG1 THR A 25 12.729 -7.839 -1.050 1.00 71.23 O ATOM 387 CG2 THR A 25 13.694 -9.987 -0.504 1.00 64.42 C ATOM 0 H THR A 25 10.871 -7.315 0.498 1.00 11.14 H new ATOM 0 HA THR A 25 10.999 -9.921 -0.568 1.00 30.03 H new ATOM 0 HB THR A 25 13.219 -8.428 0.880 1.00 40.12 H new ATOM 0 HG1 THR A 25 13.236 -8.134 -1.835 1.00 71.23 H new ATOM 0 HG21 THR A 25 14.690 -9.600 -0.719 1.00 64.42 H new ATOM 0 HG22 THR A 25 13.759 -10.744 0.277 1.00 64.42 H new ATOM 0 HG23 THR A 25 13.275 -10.432 -1.407 1.00 64.42 H new ATOM 395 N GLY A 26 11.228 -11.554 1.296 1.00 14.30 N ATOM 396 CA GLY A 26 11.146 -12.498 2.400 1.00 53.14 C ATOM 397 C GLY A 26 9.721 -12.675 2.922 1.00 33.33 C ATOM 398 O GLY A 26 9.477 -13.470 3.830 1.00 42.32 O ATOM 0 H GLY A 26 11.124 -11.970 0.371 1.00 14.30 H new ATOM 0 HA2 GLY A 26 11.532 -13.464 2.075 1.00 53.14 H new ATOM 0 HA3 GLY A 26 11.786 -12.156 3.213 1.00 53.14 H new ATOM 402 N HIS A 27 8.769 -11.940 2.343 1.00 3.21 N ATOM 403 CA HIS A 27 7.365 -12.042 2.751 1.00 74.13 C ATOM 404 C HIS A 27 6.602 -13.069 1.897 1.00 14.22 C ATOM 405 O HIS A 27 6.039 -12.731 0.851 1.00 54.13 O ATOM 406 CB HIS A 27 6.680 -10.672 2.663 1.00 74.43 C ATOM 407 CG HIS A 27 5.286 -10.659 3.208 1.00 63.03 C ATOM 408 ND1 HIS A 27 4.211 -11.217 2.548 1.00 41.25 N ATOM 409 CD2 HIS A 27 4.789 -10.153 4.362 1.00 54.25 C ATOM 410 CE1 HIS A 27 3.119 -11.055 3.265 1.00 44.44 C ATOM 411 NE2 HIS A 27 3.441 -10.412 4.369 1.00 33.21 N ATOM 0 H HIS A 27 8.943 -11.270 1.593 1.00 3.21 H new ATOM 0 HA HIS A 27 7.347 -12.384 3.786 1.00 74.13 H new ATOM 0 HB2 HIS A 27 7.279 -9.941 3.205 1.00 74.43 H new ATOM 0 HB3 HIS A 27 6.656 -10.354 1.621 1.00 74.43 H new ATOM 0 HD2 HIS A 27 5.348 -9.642 5.132 1.00 54.25 H new ATOM 0 HE1 HIS A 27 2.129 -11.391 2.995 1.00 44.44 H new ATOM 0 HE2 HIS A 27 2.792 -10.149 5.111 1.00 33.21 H new ATOM 420 N LYS A 28 6.591 -14.317 2.353 1.00 2.12 N ATOM 421 CA LYS A 28 5.866 -15.398 1.669 1.00 12.23 C ATOM 422 C LYS A 28 4.354 -15.307 1.934 1.00 4.00 C ATOM 423 O LYS A 28 3.904 -14.532 2.782 1.00 13.42 O ATOM 424 CB LYS A 28 6.385 -16.779 2.127 1.00 41.53 C ATOM 425 CG LYS A 28 7.725 -17.214 1.520 1.00 32.55 C ATOM 426 CD LYS A 28 8.889 -16.292 1.901 1.00 0.23 C ATOM 427 CE LYS A 28 9.362 -15.442 0.724 1.00 52.43 C ATOM 428 NZ LYS A 28 9.948 -16.266 -0.371 1.00 40.41 N ATOM 0 H LYS A 28 7.078 -14.613 3.199 1.00 2.12 H new ATOM 0 HA LYS A 28 6.043 -15.284 0.599 1.00 12.23 H new ATOM 0 HB2 LYS A 28 6.484 -16.769 3.212 1.00 41.53 H new ATOM 0 HB3 LYS A 28 5.634 -17.530 1.882 1.00 41.53 H new ATOM 0 HG2 LYS A 28 7.952 -18.229 1.847 1.00 32.55 H new ATOM 0 HG3 LYS A 28 7.633 -17.242 0.434 1.00 32.55 H new ATOM 0 HD2 LYS A 28 8.581 -15.639 2.717 1.00 0.23 H new ATOM 0 HD3 LYS A 28 9.720 -16.893 2.270 1.00 0.23 H new ATOM 0 HE2 LYS A 28 8.522 -14.867 0.333 1.00 52.43 H new ATOM 0 HE3 LYS A 28 10.105 -14.724 1.073 1.00 52.43 H new ATOM 0 HZ1 LYS A 28 10.254 -15.645 -1.147 1.00 40.41 H new ATOM 0 HZ2 LYS A 28 10.766 -16.795 -0.007 1.00 40.41 H new ATOM 0 HZ3 LYS A 28 9.233 -16.934 -0.724 1.00 40.41 H new ATOM 442 N GLY A 29 3.580 -16.098 1.195 1.00 52.02 N ATOM 443 CA GLY A 29 2.141 -16.181 1.424 1.00 73.54 C ATOM 444 C GLY A 29 1.368 -14.901 1.096 1.00 51.11 C ATOM 445 O GLY A 29 1.883 -13.994 0.431 1.00 61.54 O ATOM 0 H GLY A 29 3.923 -16.687 0.437 1.00 52.02 H new ATOM 0 HA2 GLY A 29 1.738 -16.997 0.824 1.00 73.54 H new ATOM 0 HA3 GLY A 29 1.967 -16.437 2.469 1.00 73.54 H new ATOM 449 N ASN A 30 0.126 -14.841 1.575 1.00 14.22 N ATOM 450 CA ASN A 30 -0.774 -13.712 1.321 1.00 71.30 C ATOM 451 C ASN A 30 -1.169 -13.020 2.638 1.00 44.25 C ATOM 452 O ASN A 30 -1.659 -13.667 3.566 1.00 70.22 O ATOM 453 CB ASN A 30 -2.032 -14.220 0.600 1.00 4.33 C ATOM 454 CG ASN A 30 -2.972 -13.103 0.192 1.00 30.35 C ATOM 455 OD1 ASN A 30 -3.842 -12.694 0.953 1.00 50.42 O ATOM 456 ND2 ASN A 30 -2.821 -12.615 -1.019 1.00 20.23 N ATOM 0 H ASN A 30 -0.287 -15.574 2.151 1.00 14.22 H new ATOM 0 HA ASN A 30 -0.258 -12.984 0.695 1.00 71.30 H new ATOM 0 HB2 ASN A 30 -1.735 -14.780 -0.287 1.00 4.33 H new ATOM 0 HB3 ASN A 30 -2.562 -14.914 1.252 1.00 4.33 H new ATOM 0 HD21 ASN A 30 -3.438 -11.874 -1.351 1.00 20.23 H new ATOM 0 HD22 ASN A 30 -2.087 -12.978 -1.627 1.00 20.23 H new ATOM 463 N GLU A 31 -0.957 -11.708 2.715 1.00 53.45 N ATOM 464 CA GLU A 31 -1.290 -10.927 3.917 1.00 0.01 C ATOM 465 C GLU A 31 -1.905 -9.568 3.541 1.00 10.11 C ATOM 466 O GLU A 31 -1.362 -8.839 2.710 1.00 31.34 O ATOM 467 CB GLU A 31 -0.031 -10.734 4.773 1.00 31.15 C ATOM 468 CG GLU A 31 -0.225 -9.832 5.989 1.00 32.44 C ATOM 469 CD GLU A 31 0.993 -9.812 6.903 1.00 35.05 C ATOM 470 OE1 GLU A 31 2.025 -9.231 6.513 1.00 2.24 O ATOM 471 OE2 GLU A 31 0.926 -10.379 8.014 1.00 12.23 O ATOM 0 H GLU A 31 -0.554 -11.156 1.958 1.00 53.45 H new ATOM 0 HA GLU A 31 -2.033 -11.476 4.495 1.00 0.01 H new ATOM 0 HB2 GLU A 31 0.316 -11.710 5.112 1.00 31.15 H new ATOM 0 HB3 GLU A 31 0.758 -10.315 4.148 1.00 31.15 H new ATOM 0 HG2 GLU A 31 -0.440 -8.817 5.654 1.00 32.44 H new ATOM 0 HG3 GLU A 31 -1.093 -10.172 6.554 1.00 32.44 H new ATOM 478 N GLN A 32 -3.037 -9.228 4.163 1.00 61.00 N ATOM 479 CA GLN A 32 -3.802 -8.027 3.792 1.00 70.10 C ATOM 480 C GLN A 32 -3.995 -7.073 4.985 1.00 1.40 C ATOM 481 O GLN A 32 -3.987 -7.494 6.143 1.00 62.31 O ATOM 482 CB GLN A 32 -5.177 -8.447 3.246 1.00 41.13 C ATOM 483 CG GLN A 32 -5.104 -9.503 2.146 1.00 1.22 C ATOM 484 CD GLN A 32 -6.470 -10.023 1.735 1.00 2.32 C ATOM 485 OE1 GLN A 32 -7.409 -10.042 2.523 1.00 51.33 O ATOM 486 NE2 GLN A 32 -6.592 -10.468 0.505 1.00 24.21 N ATOM 0 H GLN A 32 -3.447 -9.766 4.927 1.00 61.00 H new ATOM 0 HA GLN A 32 -3.235 -7.494 3.029 1.00 70.10 H new ATOM 0 HB2 GLN A 32 -5.782 -8.832 4.067 1.00 41.13 H new ATOM 0 HB3 GLN A 32 -5.689 -7.566 2.858 1.00 41.13 H new ATOM 0 HG2 GLN A 32 -4.605 -9.079 1.275 1.00 1.22 H new ATOM 0 HG3 GLN A 32 -4.492 -10.337 2.490 1.00 1.22 H new ATOM 0 HE21 GLN A 32 -5.794 -10.440 -0.129 1.00 24.21 H new ATOM 0 HE22 GLN A 32 -7.485 -10.842 0.184 1.00 24.21 H new ATOM 495 N PHE A 33 -4.166 -5.781 4.697 1.00 51.12 N ATOM 496 CA PHE A 33 -4.481 -4.787 5.734 1.00 21.54 C ATOM 497 C PHE A 33 -5.316 -3.626 5.163 1.00 15.13 C ATOM 498 O PHE A 33 -5.058 -3.144 4.059 1.00 33.04 O ATOM 499 CB PHE A 33 -3.200 -4.262 6.414 1.00 31.20 C ATOM 500 CG PHE A 33 -2.196 -3.624 5.480 1.00 63.51 C ATOM 501 CD1 PHE A 33 -1.297 -4.404 4.765 1.00 31.14 C ATOM 502 CD2 PHE A 33 -2.138 -2.242 5.336 1.00 60.20 C ATOM 503 CE1 PHE A 33 -0.366 -3.822 3.924 1.00 44.05 C ATOM 504 CE2 PHE A 33 -1.208 -1.656 4.496 1.00 53.23 C ATOM 505 CZ PHE A 33 -0.321 -2.447 3.791 1.00 74.52 C ATOM 0 H PHE A 33 -4.092 -5.395 3.756 1.00 51.12 H new ATOM 0 HA PHE A 33 -5.082 -5.287 6.493 1.00 21.54 H new ATOM 0 HB2 PHE A 33 -3.482 -3.532 7.173 1.00 31.20 H new ATOM 0 HB3 PHE A 33 -2.716 -5.090 6.932 1.00 31.20 H new ATOM 0 HD1 PHE A 33 -1.325 -5.479 4.867 1.00 31.14 H new ATOM 0 HD2 PHE A 33 -2.827 -1.619 5.886 1.00 60.20 H new ATOM 0 HE1 PHE A 33 0.325 -4.441 3.372 1.00 44.05 H new ATOM 0 HE2 PHE A 33 -1.175 -0.582 4.391 1.00 53.23 H new ATOM 0 HZ PHE A 33 0.407 -1.991 3.136 1.00 74.52 H new ATOM 515 N THR A 34 -6.323 -3.189 5.922 1.00 1.22 N ATOM 516 CA THR A 34 -7.276 -2.168 5.446 1.00 0.31 C ATOM 517 C THR A 34 -6.969 -0.777 6.019 1.00 11.35 C ATOM 518 O THR A 34 -6.924 -0.587 7.234 1.00 62.21 O ATOM 519 CB THR A 34 -8.734 -2.538 5.827 1.00 20.23 C ATOM 520 OG1 THR A 34 -9.022 -3.889 5.435 1.00 40.54 O ATOM 521 CG2 THR A 34 -9.732 -1.595 5.156 1.00 53.02 C ATOM 0 H THR A 34 -6.505 -3.522 6.869 1.00 1.22 H new ATOM 0 HA THR A 34 -7.168 -2.140 4.362 1.00 0.31 H new ATOM 0 HB THR A 34 -8.831 -2.442 6.908 1.00 20.23 H new ATOM 0 HG1 THR A 34 -9.944 -4.112 5.682 1.00 40.54 H new ATOM 0 HG21 THR A 34 -10.746 -1.877 5.440 1.00 53.02 H new ATOM 0 HG22 THR A 34 -9.537 -0.571 5.476 1.00 53.02 H new ATOM 0 HG23 THR A 34 -9.626 -1.664 4.073 1.00 53.02 H new ATOM 529 N ILE A 35 -6.774 0.192 5.131 1.00 63.14 N ATOM 530 CA ILE A 35 -6.540 1.586 5.526 1.00 31.41 C ATOM 531 C ILE A 35 -7.839 2.404 5.446 1.00 60.20 C ATOM 532 O ILE A 35 -8.535 2.378 4.434 1.00 45.34 O ATOM 533 CB ILE A 35 -5.476 2.239 4.610 1.00 12.04 C ATOM 534 CG1 ILE A 35 -4.174 1.421 4.638 1.00 32.04 C ATOM 535 CG2 ILE A 35 -5.215 3.689 5.023 1.00 42.41 C ATOM 536 CD1 ILE A 35 -3.123 1.910 3.662 1.00 41.51 C ATOM 0 H ILE A 35 -6.773 0.040 4.122 1.00 63.14 H new ATOM 0 HA ILE A 35 -6.182 1.581 6.556 1.00 31.41 H new ATOM 0 HB ILE A 35 -5.859 2.246 3.589 1.00 12.04 H new ATOM 0 HG12 ILE A 35 -3.761 1.448 5.646 1.00 32.04 H new ATOM 0 HG13 ILE A 35 -4.406 0.379 4.416 1.00 32.04 H new ATOM 0 HG21 ILE A 35 -4.464 4.125 4.364 1.00 42.41 H new ATOM 0 HG22 ILE A 35 -6.140 4.261 4.948 1.00 42.41 H new ATOM 0 HG23 ILE A 35 -4.855 3.715 6.051 1.00 42.41 H new ATOM 0 HD11 ILE A 35 -2.234 1.284 3.740 1.00 41.51 H new ATOM 0 HD12 ILE A 35 -3.516 1.857 2.647 1.00 41.51 H new ATOM 0 HD13 ILE A 35 -2.861 2.942 3.896 1.00 41.51 H new ATOM 548 N LYS A 36 -8.168 3.126 6.515 1.00 62.52 N ATOM 549 CA LYS A 36 -9.379 3.959 6.540 1.00 14.11 C ATOM 550 C LYS A 36 -9.046 5.457 6.416 1.00 1.33 C ATOM 551 O LYS A 36 -8.045 5.935 6.960 1.00 65.04 O ATOM 552 CB LYS A 36 -10.176 3.691 7.824 1.00 12.21 C ATOM 553 CG LYS A 36 -10.748 2.273 7.898 1.00 41.24 C ATOM 554 CD LYS A 36 -11.462 2.000 9.220 1.00 55.12 C ATOM 555 CE LYS A 36 -10.502 2.031 10.403 1.00 3.35 C ATOM 556 NZ LYS A 36 -11.182 1.678 11.675 1.00 75.05 N ATOM 0 H LYS A 36 -7.619 3.155 7.374 1.00 62.52 H new ATOM 0 HA LYS A 36 -9.987 3.688 5.677 1.00 14.11 H new ATOM 0 HB2 LYS A 36 -9.530 3.860 8.686 1.00 12.21 H new ATOM 0 HB3 LYS A 36 -10.993 4.409 7.892 1.00 12.21 H new ATOM 0 HG2 LYS A 36 -11.445 2.122 7.074 1.00 41.24 H new ATOM 0 HG3 LYS A 36 -9.941 1.552 7.769 1.00 41.24 H new ATOM 0 HD2 LYS A 36 -12.246 2.743 9.369 1.00 55.12 H new ATOM 0 HD3 LYS A 36 -11.950 1.026 9.174 1.00 55.12 H new ATOM 0 HE2 LYS A 36 -9.682 1.335 10.224 1.00 3.35 H new ATOM 0 HE3 LYS A 36 -10.063 3.025 10.489 1.00 3.35 H new ATOM 0 HZ1 LYS A 36 -10.496 1.710 12.456 1.00 75.05 H new ATOM 0 HZ2 LYS A 36 -11.948 2.357 11.859 1.00 75.05 H new ATOM 0 HZ3 LYS A 36 -11.579 0.719 11.602 1.00 75.05 H new ATOM 570 N GLY A 37 -9.892 6.192 5.690 1.00 1.52 N ATOM 571 CA GLY A 37 -9.664 7.620 5.466 1.00 73.40 C ATOM 572 C GLY A 37 -10.408 8.520 6.455 1.00 43.14 C ATOM 573 O GLY A 37 -10.787 8.085 7.546 1.00 3.10 O ATOM 0 H GLY A 37 -10.736 5.824 5.250 1.00 1.52 H new ATOM 0 HA2 GLY A 37 -8.595 7.824 5.534 1.00 73.40 H new ATOM 0 HA3 GLY A 37 -9.973 7.874 4.452 1.00 73.40 H new ATOM 577 N LYS A 38 -10.628 9.777 6.066 1.00 43.04 N ATOM 578 CA LYS A 38 -11.285 10.763 6.938 1.00 35.32 C ATOM 579 C LYS A 38 -12.806 10.817 6.710 1.00 11.41 C ATOM 580 O LYS A 38 -13.457 11.817 7.023 1.00 42.02 O ATOM 581 CB LYS A 38 -10.669 12.151 6.705 1.00 71.35 C ATOM 582 CG LYS A 38 -9.199 12.248 7.105 1.00 14.52 C ATOM 583 CD LYS A 38 -8.987 11.926 8.583 1.00 62.42 C ATOM 584 CE LYS A 38 -9.698 12.924 9.492 1.00 52.33 C ATOM 585 NZ LYS A 38 -9.563 12.562 10.928 1.00 64.33 N ATOM 0 H LYS A 38 -10.361 10.141 5.151 1.00 43.04 H new ATOM 0 HA LYS A 38 -11.122 10.453 7.970 1.00 35.32 H new ATOM 0 HB2 LYS A 38 -10.767 12.409 5.651 1.00 71.35 H new ATOM 0 HB3 LYS A 38 -11.239 12.890 7.268 1.00 71.35 H new ATOM 0 HG2 LYS A 38 -8.611 11.561 6.496 1.00 14.52 H new ATOM 0 HG3 LYS A 38 -8.832 13.253 6.896 1.00 14.52 H new ATOM 0 HD2 LYS A 38 -9.353 10.921 8.791 1.00 62.42 H new ATOM 0 HD3 LYS A 38 -7.920 11.929 8.805 1.00 62.42 H new ATOM 0 HE2 LYS A 38 -9.287 13.920 9.329 1.00 52.33 H new ATOM 0 HE3 LYS A 38 -10.754 12.968 9.227 1.00 52.33 H new ATOM 0 HZ1 LYS A 38 -10.060 13.265 11.511 1.00 64.33 H new ATOM 0 HZ2 LYS A 38 -9.978 11.622 11.090 1.00 64.33 H new ATOM 0 HZ3 LYS A 38 -8.556 12.545 11.189 1.00 64.33 H new ATOM 599 N GLY A 39 -13.363 9.732 6.186 1.00 44.14 N ATOM 600 CA GLY A 39 -14.798 9.664 5.930 1.00 62.24 C ATOM 601 C GLY A 39 -15.194 8.376 5.220 1.00 22.50 C ATOM 602 O GLY A 39 -14.800 7.287 5.637 1.00 1.23 O ATOM 0 H GLY A 39 -12.846 8.890 5.931 1.00 44.14 H new ATOM 0 HA2 GLY A 39 -15.338 9.738 6.874 1.00 62.24 H new ATOM 0 HA3 GLY A 39 -15.098 10.519 5.324 1.00 62.24 H new ATOM 606 N ALA A 40 -15.967 8.490 4.145 1.00 32.42 N ATOM 607 CA ALA A 40 -16.335 7.321 3.341 1.00 24.11 C ATOM 608 C ALA A 40 -15.173 6.903 2.425 1.00 15.42 C ATOM 609 O ALA A 40 -15.241 7.033 1.200 1.00 10.14 O ATOM 610 CB ALA A 40 -17.596 7.612 2.531 1.00 60.41 C ATOM 0 H ALA A 40 -16.351 9.373 3.808 1.00 32.42 H new ATOM 0 HA ALA A 40 -16.545 6.489 4.012 1.00 24.11 H new ATOM 0 HB1 ALA A 40 -17.858 6.736 1.938 1.00 60.41 H new ATOM 0 HB2 ALA A 40 -18.416 7.851 3.208 1.00 60.41 H new ATOM 0 HB3 ALA A 40 -17.415 8.458 1.867 1.00 60.41 H new ATOM 616 N GLN A 41 -14.092 6.422 3.039 1.00 60.34 N ATOM 617 CA GLN A 41 -12.862 6.077 2.312 1.00 2.44 C ATOM 618 C GLN A 41 -12.180 4.843 2.922 1.00 24.42 C ATOM 619 O GLN A 41 -11.962 4.780 4.133 1.00 43.53 O ATOM 620 CB GLN A 41 -11.870 7.254 2.357 1.00 15.20 C ATOM 621 CG GLN A 41 -12.376 8.543 1.717 1.00 33.50 C ATOM 622 CD GLN A 41 -11.424 9.709 1.926 1.00 62.25 C ATOM 623 OE1 GLN A 41 -10.734 9.787 2.939 1.00 14.42 O ATOM 624 NE2 GLN A 41 -11.374 10.617 0.974 1.00 25.43 N ATOM 0 H GLN A 41 -14.040 6.260 4.045 1.00 60.34 H new ATOM 0 HA GLN A 41 -13.143 5.858 1.282 1.00 2.44 H new ATOM 0 HB2 GLN A 41 -11.616 7.457 3.397 1.00 15.20 H new ATOM 0 HB3 GLN A 41 -10.949 6.954 1.857 1.00 15.20 H new ATOM 0 HG2 GLN A 41 -12.520 8.382 0.649 1.00 33.50 H new ATOM 0 HG3 GLN A 41 -13.351 8.794 2.135 1.00 33.50 H new ATOM 0 HE21 GLN A 41 -11.961 10.520 0.146 1.00 25.43 H new ATOM 0 HE22 GLN A 41 -10.748 11.417 1.065 1.00 25.43 H new ATOM 633 N TYR A 42 -11.836 3.870 2.083 1.00 30.32 N ATOM 634 CA TYR A 42 -11.045 2.718 2.526 1.00 22.03 C ATOM 635 C TYR A 42 -10.139 2.202 1.399 1.00 74.10 C ATOM 636 O TYR A 42 -10.508 2.247 0.226 1.00 50.41 O ATOM 637 CB TYR A 42 -11.956 1.585 3.038 1.00 52.25 C ATOM 638 CG TYR A 42 -12.782 0.899 1.961 1.00 0.04 C ATOM 639 CD1 TYR A 42 -14.009 1.415 1.558 1.00 74.25 C ATOM 640 CD2 TYR A 42 -12.333 -0.273 1.351 1.00 65.13 C ATOM 641 CE1 TYR A 42 -14.759 0.788 0.581 1.00 2.33 C ATOM 642 CE2 TYR A 42 -13.078 -0.900 0.373 1.00 43.55 C ATOM 643 CZ TYR A 42 -14.291 -0.369 -0.007 1.00 61.12 C ATOM 644 OH TYR A 42 -15.039 -0.997 -0.979 1.00 12.00 O ATOM 0 H TYR A 42 -12.090 3.853 1.095 1.00 30.32 H new ATOM 0 HA TYR A 42 -10.413 3.052 3.349 1.00 22.03 H new ATOM 0 HB2 TYR A 42 -11.338 0.837 3.535 1.00 52.25 H new ATOM 0 HB3 TYR A 42 -12.631 1.992 3.791 1.00 52.25 H new ATOM 0 HD1 TYR A 42 -14.382 2.320 2.016 1.00 74.25 H new ATOM 0 HD2 TYR A 42 -11.386 -0.697 1.650 1.00 65.13 H new ATOM 0 HE1 TYR A 42 -15.709 1.203 0.279 1.00 2.33 H new ATOM 0 HE2 TYR A 42 -12.712 -1.803 -0.092 1.00 43.55 H new ATOM 0 HH TYR A 42 -14.566 -1.797 -1.290 1.00 12.00 H new ATOM 654 N ASN A 43 -8.948 1.736 1.766 1.00 1.31 N ATOM 655 CA ASN A 43 -8.010 1.124 0.817 1.00 34.10 C ATOM 656 C ASN A 43 -7.528 -0.242 1.336 1.00 63.54 C ATOM 657 O ASN A 43 -6.796 -0.318 2.325 1.00 15.24 O ATOM 658 CB ASN A 43 -6.799 2.040 0.580 1.00 65.11 C ATOM 659 CG ASN A 43 -7.150 3.284 -0.213 1.00 11.24 C ATOM 660 OD1 ASN A 43 -7.502 4.319 0.344 1.00 51.15 O ATOM 661 ND2 ASN A 43 -7.062 3.194 -1.526 1.00 25.10 N ATOM 0 H ASN A 43 -8.603 1.770 2.725 1.00 1.31 H new ATOM 0 HA ASN A 43 -8.536 0.982 -0.127 1.00 34.10 H new ATOM 0 HB2 ASN A 43 -6.378 2.334 1.541 1.00 65.11 H new ATOM 0 HB3 ASN A 43 -6.026 1.483 0.050 1.00 65.11 H new ATOM 0 HD21 ASN A 43 -7.290 4.000 -2.109 1.00 25.10 H new ATOM 0 HD22 ASN A 43 -6.766 2.319 -1.959 1.00 25.10 H new ATOM 668 N LEU A 44 -7.947 -1.315 0.675 1.00 21.43 N ATOM 669 CA LEU A 44 -7.541 -2.672 1.058 1.00 52.31 C ATOM 670 C LEU A 44 -6.214 -3.057 0.385 1.00 0.30 C ATOM 671 O LEU A 44 -6.172 -3.345 -0.813 1.00 70.44 O ATOM 672 CB LEU A 44 -8.637 -3.682 0.684 1.00 4.33 C ATOM 673 CG LEU A 44 -8.341 -5.149 1.050 1.00 72.15 C ATOM 674 CD1 LEU A 44 -8.107 -5.303 2.552 1.00 12.43 C ATOM 675 CD2 LEU A 44 -9.479 -6.058 0.588 1.00 52.32 C ATOM 0 H LEU A 44 -8.570 -1.276 -0.132 1.00 21.43 H new ATOM 0 HA LEU A 44 -7.396 -2.692 2.138 1.00 52.31 H new ATOM 0 HB2 LEU A 44 -9.564 -3.384 1.174 1.00 4.33 H new ATOM 0 HB3 LEU A 44 -8.811 -3.622 -0.390 1.00 4.33 H new ATOM 0 HG LEU A 44 -7.428 -5.448 0.534 1.00 72.15 H new ATOM 0 HD11 LEU A 44 -7.900 -6.348 2.783 1.00 12.43 H new ATOM 0 HD12 LEU A 44 -7.257 -4.690 2.853 1.00 12.43 H new ATOM 0 HD13 LEU A 44 -8.996 -4.981 3.094 1.00 12.43 H new ATOM 0 HD21 LEU A 44 -9.252 -7.090 0.855 1.00 52.32 H new ATOM 0 HD22 LEU A 44 -10.407 -5.754 1.072 1.00 52.32 H new ATOM 0 HD23 LEU A 44 -9.591 -5.980 -0.493 1.00 52.32 H new ATOM 687 N MET A 45 -5.135 -3.051 1.161 1.00 43.11 N ATOM 688 CA MET A 45 -3.803 -3.378 0.643 1.00 72.24 C ATOM 689 C MET A 45 -3.508 -4.881 0.772 1.00 60.04 C ATOM 690 O MET A 45 -3.772 -5.490 1.812 1.00 14.33 O ATOM 691 CB MET A 45 -2.740 -2.573 1.399 1.00 42.31 C ATOM 692 CG MET A 45 -2.954 -1.065 1.345 1.00 23.41 C ATOM 693 SD MET A 45 -2.786 -0.389 -0.316 1.00 11.03 S ATOM 694 CE MET A 45 -1.064 -0.742 -0.663 1.00 22.51 C ATOM 0 H MET A 45 -5.153 -2.823 2.155 1.00 43.11 H new ATOM 0 HA MET A 45 -3.777 -3.117 -0.415 1.00 72.24 H new ATOM 0 HB2 MET A 45 -2.730 -2.892 2.441 1.00 42.31 H new ATOM 0 HB3 MET A 45 -1.759 -2.806 0.985 1.00 42.31 H new ATOM 0 HG2 MET A 45 -3.947 -0.831 1.728 1.00 23.41 H new ATOM 0 HG3 MET A 45 -2.235 -0.578 2.004 1.00 23.41 H new ATOM 0 HE1 MET A 45 -0.720 -0.108 -1.480 1.00 22.51 H new ATOM 0 HE2 MET A 45 -0.466 -0.544 0.226 1.00 22.51 H new ATOM 0 HE3 MET A 45 -0.957 -1.789 -0.947 1.00 22.51 H new ATOM 704 N GLU A 46 -2.947 -5.473 -0.282 1.00 72.43 N ATOM 705 CA GLU A 46 -2.651 -6.913 -0.301 1.00 0.40 C ATOM 706 C GLU A 46 -1.180 -7.195 -0.665 1.00 35.34 C ATOM 707 O GLU A 46 -0.722 -6.863 -1.764 1.00 22.14 O ATOM 708 CB GLU A 46 -3.589 -7.628 -1.289 1.00 13.00 C ATOM 709 CG GLU A 46 -3.294 -9.113 -1.470 1.00 13.33 C ATOM 710 CD GLU A 46 -4.299 -9.812 -2.373 1.00 32.51 C ATOM 711 OE1 GLU A 46 -4.356 -9.488 -3.576 1.00 42.10 O ATOM 712 OE2 GLU A 46 -5.042 -10.687 -1.887 1.00 52.24 O ATOM 0 H GLU A 46 -2.687 -4.981 -1.137 1.00 72.43 H new ATOM 0 HA GLU A 46 -2.818 -7.299 0.705 1.00 0.40 H new ATOM 0 HB2 GLU A 46 -4.617 -7.513 -0.945 1.00 13.00 H new ATOM 0 HB3 GLU A 46 -3.521 -7.135 -2.259 1.00 13.00 H new ATOM 0 HG2 GLU A 46 -2.294 -9.231 -1.888 1.00 13.33 H new ATOM 0 HG3 GLU A 46 -3.291 -9.599 -0.494 1.00 13.33 H new ATOM 719 N VAL A 47 -0.449 -7.799 0.274 1.00 3.00 N ATOM 720 CA VAL A 47 0.935 -8.226 0.039 1.00 31.32 C ATOM 721 C VAL A 47 0.986 -9.737 -0.233 1.00 63.01 C ATOM 722 O VAL A 47 0.810 -10.549 0.681 1.00 50.33 O ATOM 723 CB VAL A 47 1.845 -7.903 1.256 1.00 3.14 C ATOM 724 CG1 VAL A 47 3.312 -8.177 0.927 1.00 3.13 C ATOM 725 CG2 VAL A 47 1.644 -6.462 1.717 1.00 21.32 C ATOM 0 H VAL A 47 -0.794 -8.005 1.211 1.00 3.00 H new ATOM 0 HA VAL A 47 1.302 -7.677 -0.828 1.00 31.32 H new ATOM 0 HB VAL A 47 1.559 -8.560 2.078 1.00 3.14 H new ATOM 0 HG11 VAL A 47 3.929 -7.943 1.794 1.00 3.13 H new ATOM 0 HG12 VAL A 47 3.436 -9.228 0.666 1.00 3.13 H new ATOM 0 HG13 VAL A 47 3.618 -7.555 0.086 1.00 3.13 H new ATOM 0 HG21 VAL A 47 2.292 -6.259 2.570 1.00 21.32 H new ATOM 0 HG22 VAL A 47 1.893 -5.781 0.903 1.00 21.32 H new ATOM 0 HG23 VAL A 47 0.604 -6.315 2.008 1.00 21.32 H new ATOM 735 N ASP A 48 1.231 -10.110 -1.483 1.00 44.11 N ATOM 736 CA ASP A 48 1.199 -11.516 -1.890 1.00 3.22 C ATOM 737 C ASP A 48 2.487 -11.916 -2.632 1.00 30.31 C ATOM 738 O ASP A 48 2.799 -11.377 -3.693 1.00 14.11 O ATOM 739 CB ASP A 48 -0.030 -11.757 -2.774 1.00 22.15 C ATOM 740 CG ASP A 48 -0.150 -13.193 -3.251 1.00 23.03 C ATOM 741 OD1 ASP A 48 -0.599 -14.049 -2.463 1.00 23.22 O ATOM 742 OD2 ASP A 48 0.194 -13.473 -4.421 1.00 34.32 O ATOM 0 H ASP A 48 1.455 -9.460 -2.236 1.00 44.11 H new ATOM 0 HA ASP A 48 1.134 -12.137 -0.997 1.00 3.22 H new ATOM 0 HB2 ASP A 48 -0.928 -11.489 -2.217 1.00 22.15 H new ATOM 0 HB3 ASP A 48 0.017 -11.096 -3.639 1.00 22.15 H new ATOM 747 N GLY A 49 3.232 -12.864 -2.056 1.00 50.22 N ATOM 748 CA GLY A 49 4.450 -13.365 -2.696 1.00 34.34 C ATOM 749 C GLY A 49 5.519 -12.294 -2.935 1.00 12.15 C ATOM 750 O GLY A 49 5.895 -12.034 -4.080 1.00 13.24 O ATOM 0 H GLY A 49 3.016 -13.296 -1.157 1.00 50.22 H new ATOM 0 HA2 GLY A 49 4.875 -14.154 -2.076 1.00 34.34 H new ATOM 0 HA3 GLY A 49 4.185 -13.818 -3.651 1.00 34.34 H new ATOM 754 N GLU A 50 5.997 -11.674 -1.851 1.00 23.41 N ATOM 755 CA GLU A 50 7.089 -10.681 -1.905 1.00 44.01 C ATOM 756 C GLU A 50 6.792 -9.472 -2.822 1.00 1.51 C ATOM 757 O GLU A 50 7.704 -8.736 -3.206 1.00 20.44 O ATOM 758 CB GLU A 50 8.403 -11.363 -2.317 1.00 34.02 C ATOM 759 CG GLU A 50 8.886 -12.403 -1.310 1.00 3.42 C ATOM 760 CD GLU A 50 10.208 -13.044 -1.698 1.00 22.14 C ATOM 761 OE1 GLU A 50 11.261 -12.398 -1.515 1.00 52.45 O ATOM 762 OE2 GLU A 50 10.197 -14.200 -2.170 1.00 32.32 O ATOM 0 H GLU A 50 5.642 -11.842 -0.910 1.00 23.41 H new ATOM 0 HA GLU A 50 7.182 -10.273 -0.899 1.00 44.01 H new ATOM 0 HB2 GLU A 50 8.267 -11.842 -3.286 1.00 34.02 H new ATOM 0 HB3 GLU A 50 9.175 -10.603 -2.442 1.00 34.02 H new ATOM 0 HG2 GLU A 50 8.991 -11.932 -0.333 1.00 3.42 H new ATOM 0 HG3 GLU A 50 8.129 -13.180 -1.209 1.00 3.42 H new ATOM 769 N ARG A 51 5.518 -9.254 -3.144 1.00 54.10 N ATOM 770 CA ARG A 51 5.099 -8.075 -3.919 1.00 63.42 C ATOM 771 C ARG A 51 3.705 -7.598 -3.481 1.00 63.44 C ATOM 772 O ARG A 51 2.887 -8.388 -3.004 1.00 61.00 O ATOM 773 CB ARG A 51 5.143 -8.377 -5.426 1.00 1.23 C ATOM 774 CG ARG A 51 4.384 -9.630 -5.846 1.00 14.32 C ATOM 775 CD ARG A 51 4.614 -9.956 -7.319 1.00 34.34 C ATOM 776 NE ARG A 51 3.844 -11.118 -7.758 1.00 43.05 N ATOM 777 CZ ARG A 51 4.100 -11.799 -8.843 1.00 72.21 C ATOM 778 NH1 ARG A 51 5.108 -11.489 -9.597 1.00 60.45 N ATOM 779 NH2 ARG A 51 3.351 -12.801 -9.166 1.00 51.03 N ATOM 0 H ARG A 51 4.753 -9.876 -2.882 1.00 54.10 H new ATOM 0 HA ARG A 51 5.800 -7.264 -3.720 1.00 63.42 H new ATOM 0 HB2 ARG A 51 4.734 -7.523 -5.966 1.00 1.23 H new ATOM 0 HB3 ARG A 51 6.184 -8.479 -5.732 1.00 1.23 H new ATOM 0 HG2 ARG A 51 4.702 -10.472 -5.232 1.00 14.32 H new ATOM 0 HG3 ARG A 51 3.318 -9.489 -5.666 1.00 14.32 H new ATOM 0 HD2 ARG A 51 4.342 -9.093 -7.926 1.00 34.34 H new ATOM 0 HD3 ARG A 51 5.675 -10.142 -7.486 1.00 34.34 H new ATOM 0 HE ARG A 51 3.057 -11.416 -7.181 1.00 43.05 H new ATOM 0 HH11 ARG A 51 5.711 -10.706 -9.345 1.00 60.45 H new ATOM 0 HH12 ARG A 51 5.298 -12.028 -10.442 1.00 60.45 H new ATOM 0 HH21 ARG A 51 2.561 -13.059 -8.574 1.00 51.03 H new ATOM 0 HH22 ARG A 51 3.549 -13.334 -10.013 1.00 51.03 H new ATOM 793 N ILE A 52 3.438 -6.302 -3.642 1.00 61.52 N ATOM 794 CA ILE A 52 2.226 -5.687 -3.076 1.00 61.14 C ATOM 795 C ILE A 52 1.427 -4.874 -4.115 1.00 33.14 C ATOM 796 O ILE A 52 1.983 -4.350 -5.083 1.00 51.04 O ATOM 797 CB ILE A 52 2.602 -4.763 -1.883 1.00 65.14 C ATOM 798 CG1 ILE A 52 1.345 -4.163 -1.227 1.00 44.03 C ATOM 799 CG2 ILE A 52 3.555 -3.654 -2.338 1.00 33.35 C ATOM 800 CD1 ILE A 52 1.641 -3.275 -0.032 1.00 0.31 C ATOM 0 H ILE A 52 4.038 -5.656 -4.156 1.00 61.52 H new ATOM 0 HA ILE A 52 1.590 -6.505 -2.738 1.00 61.14 H new ATOM 0 HB ILE A 52 3.112 -5.371 -1.136 1.00 65.14 H new ATOM 0 HG12 ILE A 52 0.799 -3.584 -1.972 1.00 44.03 H new ATOM 0 HG13 ILE A 52 0.689 -4.974 -0.911 1.00 44.03 H new ATOM 0 HG21 ILE A 52 3.806 -3.019 -1.489 1.00 33.35 H new ATOM 0 HG22 ILE A 52 4.465 -4.099 -2.740 1.00 33.35 H new ATOM 0 HG23 ILE A 52 3.073 -3.054 -3.110 1.00 33.35 H new ATOM 0 HD11 ILE A 52 0.706 -2.890 0.376 1.00 0.31 H new ATOM 0 HD12 ILE A 52 2.159 -3.854 0.732 1.00 0.31 H new ATOM 0 HD13 ILE A 52 2.271 -2.442 -0.345 1.00 0.31 H new ATOM 812 N ARG A 53 0.110 -4.797 -3.904 1.00 64.12 N ATOM 813 CA ARG A 53 -0.763 -3.902 -4.675 1.00 11.31 C ATOM 814 C ARG A 53 -2.064 -3.635 -3.904 1.00 2.15 C ATOM 815 O ARG A 53 -2.351 -4.296 -2.903 1.00 50.02 O ATOM 816 CB ARG A 53 -1.098 -4.480 -6.064 1.00 31.22 C ATOM 817 CG ARG A 53 -2.278 -5.454 -6.093 1.00 60.40 C ATOM 818 CD ARG A 53 -1.952 -6.789 -5.438 1.00 14.43 C ATOM 819 NE ARG A 53 -3.116 -7.675 -5.375 1.00 62.21 N ATOM 820 CZ ARG A 53 -3.726 -8.181 -6.418 1.00 54.40 C ATOM 821 NH1 ARG A 53 -3.335 -7.904 -7.622 1.00 72.32 N ATOM 822 NH2 ARG A 53 -4.726 -8.979 -6.244 1.00 70.33 N ATOM 0 H ARG A 53 -0.380 -5.348 -3.200 1.00 64.12 H new ATOM 0 HA ARG A 53 -0.221 -2.968 -4.820 1.00 11.31 H new ATOM 0 HB2 ARG A 53 -1.312 -3.654 -6.742 1.00 31.22 H new ATOM 0 HB3 ARG A 53 -0.216 -4.990 -6.451 1.00 31.22 H new ATOM 0 HG2 ARG A 53 -3.130 -5.002 -5.584 1.00 60.40 H new ATOM 0 HG3 ARG A 53 -2.578 -5.625 -7.127 1.00 60.40 H new ATOM 0 HD2 ARG A 53 -1.154 -7.280 -5.996 1.00 14.43 H new ATOM 0 HD3 ARG A 53 -1.576 -6.615 -4.430 1.00 14.43 H new ATOM 0 HE ARG A 53 -3.478 -7.916 -4.452 1.00 62.21 H new ATOM 0 HH11 ARG A 53 -2.540 -7.283 -7.770 1.00 72.32 H new ATOM 0 HH12 ARG A 53 -3.822 -8.307 -8.422 1.00 72.32 H new ATOM 0 HH21 ARG A 53 -5.035 -9.211 -5.300 1.00 70.33 H new ATOM 0 HH22 ARG A 53 -5.207 -9.378 -7.050 1.00 70.33 H new ATOM 836 N ILE A 54 -2.849 -2.667 -4.368 1.00 25.34 N ATOM 837 CA ILE A 54 -4.167 -2.410 -3.782 1.00 62.24 C ATOM 838 C ILE A 54 -5.203 -3.392 -4.345 1.00 74.03 C ATOM 839 O ILE A 54 -5.406 -3.472 -5.555 1.00 34.31 O ATOM 840 CB ILE A 54 -4.625 -0.953 -4.029 1.00 35.43 C ATOM 841 CG1 ILE A 54 -3.633 0.020 -3.369 1.00 33.13 C ATOM 842 CG2 ILE A 54 -6.044 -0.728 -3.498 1.00 23.40 C ATOM 843 CD1 ILE A 54 -3.994 1.479 -3.522 1.00 52.22 C ATOM 0 H ILE A 54 -2.601 -2.050 -5.142 1.00 25.34 H new ATOM 0 HA ILE A 54 -4.084 -2.557 -2.705 1.00 62.24 H new ATOM 0 HB ILE A 54 -4.642 -0.767 -5.103 1.00 35.43 H new ATOM 0 HG12 ILE A 54 -3.564 -0.215 -2.307 1.00 33.13 H new ATOM 0 HG13 ILE A 54 -2.644 -0.144 -3.796 1.00 33.13 H new ATOM 0 HG21 ILE A 54 -6.343 0.304 -3.684 1.00 23.40 H new ATOM 0 HG22 ILE A 54 -6.734 -1.402 -4.006 1.00 23.40 H new ATOM 0 HG23 ILE A 54 -6.067 -0.925 -2.426 1.00 23.40 H new ATOM 0 HD11 ILE A 54 -3.242 2.094 -3.027 1.00 52.22 H new ATOM 0 HD12 ILE A 54 -4.033 1.735 -4.581 1.00 52.22 H new ATOM 0 HD13 ILE A 54 -4.968 1.662 -3.068 1.00 52.22 H new ATOM 855 N LYS A 55 -5.840 -4.147 -3.456 1.00 20.43 N ATOM 856 CA LYS A 55 -6.780 -5.198 -3.851 1.00 22.53 C ATOM 857 C LYS A 55 -8.195 -4.638 -4.107 1.00 65.33 C ATOM 858 O LYS A 55 -8.897 -5.081 -5.020 1.00 51.44 O ATOM 859 CB LYS A 55 -6.837 -6.268 -2.751 1.00 44.22 C ATOM 860 CG LYS A 55 -7.631 -7.515 -3.128 1.00 63.01 C ATOM 861 CD LYS A 55 -7.726 -8.494 -1.959 1.00 62.22 C ATOM 862 CE LYS A 55 -8.387 -9.805 -2.363 1.00 2.14 C ATOM 863 NZ LYS A 55 -7.567 -10.550 -3.351 1.00 41.23 N ATOM 0 H LYS A 55 -5.723 -4.051 -2.447 1.00 20.43 H new ATOM 0 HA LYS A 55 -6.425 -5.635 -4.784 1.00 22.53 H new ATOM 0 HB2 LYS A 55 -5.820 -6.563 -2.495 1.00 44.22 H new ATOM 0 HB3 LYS A 55 -7.277 -5.829 -1.856 1.00 44.22 H new ATOM 0 HG2 LYS A 55 -8.633 -7.227 -3.445 1.00 63.01 H new ATOM 0 HG3 LYS A 55 -7.157 -8.006 -3.978 1.00 63.01 H new ATOM 0 HD2 LYS A 55 -6.727 -8.696 -1.574 1.00 62.22 H new ATOM 0 HD3 LYS A 55 -8.294 -8.037 -1.149 1.00 62.22 H new ATOM 0 HE2 LYS A 55 -8.542 -10.423 -1.478 1.00 2.14 H new ATOM 0 HE3 LYS A 55 -9.371 -9.602 -2.786 1.00 2.14 H new ATOM 0 HZ1 LYS A 55 -7.986 -11.488 -3.514 1.00 41.23 H new ATOM 0 HZ2 LYS A 55 -7.539 -10.023 -4.247 1.00 41.23 H new ATOM 0 HZ3 LYS A 55 -6.600 -10.662 -2.985 1.00 41.23 H new ATOM 877 N GLU A 56 -8.606 -3.666 -3.288 1.00 12.23 N ATOM 878 CA GLU A 56 -9.961 -3.095 -3.363 1.00 33.15 C ATOM 879 C GLU A 56 -10.029 -1.724 -2.667 1.00 2.03 C ATOM 880 O GLU A 56 -9.470 -1.546 -1.588 1.00 3.40 O ATOM 881 CB GLU A 56 -10.961 -4.054 -2.692 1.00 4.53 C ATOM 882 CG GLU A 56 -12.409 -3.559 -2.666 1.00 72.03 C ATOM 883 CD GLU A 56 -13.028 -3.451 -4.051 1.00 3.52 C ATOM 884 OE1 GLU A 56 -13.353 -4.503 -4.643 1.00 61.32 O ATOM 885 OE2 GLU A 56 -13.194 -2.318 -4.554 1.00 11.35 O ATOM 0 H GLU A 56 -8.020 -3.254 -2.562 1.00 12.23 H new ATOM 0 HA GLU A 56 -10.215 -2.961 -4.415 1.00 33.15 H new ATOM 0 HB2 GLU A 56 -10.929 -5.012 -3.212 1.00 4.53 H new ATOM 0 HB3 GLU A 56 -10.636 -4.236 -1.668 1.00 4.53 H new ATOM 0 HG2 GLU A 56 -13.008 -4.238 -2.059 1.00 72.03 H new ATOM 0 HG3 GLU A 56 -12.444 -2.583 -2.182 1.00 72.03 H new ATOM 892 N ASP A 57 -10.729 -0.771 -3.280 1.00 11.31 N ATOM 893 CA ASP A 57 -10.959 0.540 -2.659 1.00 54.34 C ATOM 894 C ASP A 57 -12.113 1.275 -3.363 1.00 64.32 C ATOM 895 O ASP A 57 -12.507 0.917 -4.476 1.00 13.41 O ATOM 896 CB ASP A 57 -9.669 1.388 -2.666 1.00 11.22 C ATOM 897 CG ASP A 57 -9.519 2.284 -3.887 1.00 21.42 C ATOM 898 OD1 ASP A 57 -9.537 1.771 -5.021 1.00 64.14 O ATOM 899 OD2 ASP A 57 -9.378 3.514 -3.704 1.00 44.41 O ATOM 0 H ASP A 57 -11.147 -0.878 -4.204 1.00 11.31 H new ATOM 0 HA ASP A 57 -11.244 0.382 -1.619 1.00 54.34 H new ATOM 0 HB2 ASP A 57 -9.650 2.008 -1.770 1.00 11.22 H new ATOM 0 HB3 ASP A 57 -8.809 0.721 -2.611 1.00 11.22 H new ATOM 904 N ASN A 58 -12.670 2.292 -2.713 1.00 70.33 N ATOM 905 CA ASN A 58 -13.777 3.054 -3.300 1.00 15.11 C ATOM 906 C ASN A 58 -13.287 4.360 -3.948 1.00 4.14 C ATOM 907 O ASN A 58 -13.608 5.466 -3.498 1.00 71.32 O ATOM 908 CB ASN A 58 -14.875 3.318 -2.257 1.00 12.45 C ATOM 909 CG ASN A 58 -14.389 4.045 -1.015 1.00 53.04 C ATOM 910 OD1 ASN A 58 -13.243 3.911 -0.597 1.00 12.22 O ATOM 911 ND2 ASN A 58 -15.266 4.817 -0.412 1.00 42.41 N ATOM 0 H ASN A 58 -12.380 2.609 -1.788 1.00 70.33 H new ATOM 0 HA ASN A 58 -14.211 2.448 -4.095 1.00 15.11 H new ATOM 0 HB2 ASN A 58 -15.668 3.904 -2.721 1.00 12.45 H new ATOM 0 HB3 ASN A 58 -15.315 2.366 -1.959 1.00 12.45 H new ATOM 0 HD21 ASN A 58 -15.002 5.327 0.431 1.00 42.41 H new ATOM 0 HD22 ASN A 58 -16.210 4.905 -0.787 1.00 42.41 H new ATOM 918 N SER A 59 -12.475 4.218 -4.996 1.00 61.24 N ATOM 919 CA SER A 59 -12.043 5.363 -5.806 1.00 54.34 C ATOM 920 C SER A 59 -12.615 5.256 -7.225 1.00 31.01 C ATOM 921 O SER A 59 -12.706 4.161 -7.785 1.00 64.13 O ATOM 922 CB SER A 59 -10.511 5.439 -5.879 1.00 53.13 C ATOM 923 OG SER A 59 -9.967 4.350 -6.609 1.00 45.22 O ATOM 0 H SER A 59 -12.101 3.321 -5.306 1.00 61.24 H new ATOM 0 HA SER A 59 -12.417 6.269 -5.330 1.00 54.34 H new ATOM 0 HB2 SER A 59 -10.215 6.377 -6.349 1.00 53.13 H new ATOM 0 HB3 SER A 59 -10.098 5.444 -4.870 1.00 53.13 H new ATOM 0 HG SER A 59 -10.015 3.536 -6.066 1.00 45.22 H new ATOM 929 N PRO A 60 -13.028 6.386 -7.830 1.00 64.24 N ATOM 930 CA PRO A 60 -13.567 6.390 -9.200 1.00 64.04 C ATOM 931 C PRO A 60 -12.487 6.120 -10.268 1.00 55.10 C ATOM 932 O PRO A 60 -12.789 5.668 -11.373 1.00 62.54 O ATOM 933 CB PRO A 60 -14.142 7.805 -9.343 1.00 4.32 C ATOM 934 CG PRO A 60 -13.351 8.637 -8.390 1.00 2.45 C ATOM 935 CD PRO A 60 -13.024 7.736 -7.227 1.00 0.11 C ATOM 0 HA PRO A 60 -14.301 5.599 -9.354 1.00 64.04 H new ATOM 0 HB2 PRO A 60 -14.042 8.171 -10.365 1.00 4.32 H new ATOM 0 HB3 PRO A 60 -15.204 7.827 -9.099 1.00 4.32 H new ATOM 0 HG2 PRO A 60 -12.442 9.012 -8.861 1.00 2.45 H new ATOM 0 HG3 PRO A 60 -13.923 9.505 -8.062 1.00 2.45 H new ATOM 0 HD2 PRO A 60 -12.055 7.979 -6.790 1.00 0.11 H new ATOM 0 HD3 PRO A 60 -13.763 7.823 -6.431 1.00 0.11 H new ATOM 943 N ASP A 61 -11.231 6.395 -9.921 1.00 71.42 N ATOM 944 CA ASP A 61 -10.101 6.211 -10.841 1.00 5.11 C ATOM 945 C ASP A 61 -9.529 4.784 -10.778 1.00 35.44 C ATOM 946 O ASP A 61 -9.155 4.213 -11.803 1.00 1.32 O ATOM 947 CB ASP A 61 -8.998 7.222 -10.514 1.00 42.31 C ATOM 948 CG ASP A 61 -9.468 8.658 -10.658 1.00 34.23 C ATOM 949 OD1 ASP A 61 -10.254 9.120 -9.804 1.00 21.34 O ATOM 950 OD2 ASP A 61 -9.035 9.338 -11.613 1.00 43.34 O ATOM 0 H ASP A 61 -10.965 6.749 -9.002 1.00 71.42 H new ATOM 0 HA ASP A 61 -10.472 6.374 -11.853 1.00 5.11 H new ATOM 0 HB2 ASP A 61 -8.649 7.057 -9.495 1.00 42.31 H new ATOM 0 HB3 ASP A 61 -8.147 7.053 -11.174 1.00 42.31 H new ATOM 955 N GLN A 62 -9.447 4.222 -9.568 1.00 42.32 N ATOM 956 CA GLN A 62 -8.898 2.871 -9.361 1.00 71.32 C ATOM 957 C GLN A 62 -7.429 2.757 -9.807 1.00 64.44 C ATOM 958 O GLN A 62 -6.932 1.659 -10.075 1.00 55.11 O ATOM 959 CB GLN A 62 -9.772 1.823 -10.075 1.00 63.40 C ATOM 960 CG GLN A 62 -11.112 1.610 -9.387 1.00 31.31 C ATOM 961 CD GLN A 62 -10.950 1.009 -8.003 1.00 23.23 C ATOM 962 OE1 GLN A 62 -10.056 0.204 -7.766 1.00 0.43 O ATOM 963 NE2 GLN A 62 -11.790 1.408 -7.073 1.00 54.33 N ATOM 0 H GLN A 62 -9.755 4.682 -8.711 1.00 42.32 H new ATOM 0 HA GLN A 62 -8.915 2.676 -8.289 1.00 71.32 H new ATOM 0 HB2 GLN A 62 -9.943 2.138 -11.104 1.00 63.40 H new ATOM 0 HB3 GLN A 62 -9.235 0.875 -10.117 1.00 63.40 H new ATOM 0 HG2 GLN A 62 -11.636 2.563 -9.310 1.00 31.31 H new ATOM 0 HG3 GLN A 62 -11.733 0.954 -9.997 1.00 31.31 H new ATOM 0 HE21 GLN A 62 -12.523 2.079 -7.302 1.00 54.33 H new ATOM 0 HE22 GLN A 62 -11.708 1.046 -6.123 1.00 54.33 H new ATOM 972 N VAL A 63 -6.728 3.892 -9.846 1.00 2.54 N ATOM 973 CA VAL A 63 -5.298 3.914 -10.191 1.00 0.44 C ATOM 974 C VAL A 63 -4.489 2.998 -9.260 1.00 63.00 C ATOM 975 O VAL A 63 -3.518 2.366 -9.681 1.00 71.30 O ATOM 976 CB VAL A 63 -4.716 5.351 -10.110 1.00 21.42 C ATOM 977 CG1 VAL A 63 -3.236 5.371 -10.500 1.00 23.22 C ATOM 978 CG2 VAL A 63 -5.514 6.310 -10.984 1.00 43.14 C ATOM 0 H VAL A 63 -7.124 4.810 -9.644 1.00 2.54 H new ATOM 0 HA VAL A 63 -5.217 3.553 -11.216 1.00 0.44 H new ATOM 0 HB VAL A 63 -4.796 5.684 -9.075 1.00 21.42 H new ATOM 0 HG11 VAL A 63 -2.856 6.390 -10.434 1.00 23.22 H new ATOM 0 HG12 VAL A 63 -2.673 4.729 -9.823 1.00 23.22 H new ATOM 0 HG13 VAL A 63 -3.124 5.008 -11.522 1.00 23.22 H new ATOM 0 HG21 VAL A 63 -5.087 7.310 -10.910 1.00 43.14 H new ATOM 0 HG22 VAL A 63 -5.476 5.975 -12.020 1.00 43.14 H new ATOM 0 HG23 VAL A 63 -6.550 6.332 -10.647 1.00 43.14 H new ATOM 988 N GLY A 64 -4.906 2.925 -7.995 1.00 42.31 N ATOM 989 CA GLY A 64 -4.242 2.067 -7.022 1.00 61.12 C ATOM 990 C GLY A 64 -4.173 0.606 -7.458 1.00 62.01 C ATOM 991 O GLY A 64 -3.123 -0.030 -7.368 1.00 53.13 O ATOM 0 H GLY A 64 -5.698 3.449 -7.624 1.00 42.31 H new ATOM 0 HA2 GLY A 64 -3.231 2.437 -6.851 1.00 61.12 H new ATOM 0 HA3 GLY A 64 -4.770 2.131 -6.070 1.00 61.12 H new ATOM 995 N VAL A 65 -5.297 0.074 -7.926 1.00 71.24 N ATOM 996 CA VAL A 65 -5.348 -1.291 -8.454 1.00 11.01 C ATOM 997 C VAL A 65 -4.676 -1.372 -9.836 1.00 74.02 C ATOM 998 O VAL A 65 -4.040 -2.372 -10.181 1.00 74.14 O ATOM 999 CB VAL A 65 -6.811 -1.796 -8.555 1.00 44.23 C ATOM 1000 CG1 VAL A 65 -6.861 -3.249 -9.025 1.00 4.02 C ATOM 1001 CG2 VAL A 65 -7.528 -1.633 -7.213 1.00 15.33 C ATOM 0 H VAL A 65 -6.190 0.567 -7.952 1.00 71.24 H new ATOM 0 HA VAL A 65 -4.804 -1.930 -7.759 1.00 11.01 H new ATOM 0 HB VAL A 65 -7.328 -1.189 -9.298 1.00 44.23 H new ATOM 0 HG11 VAL A 65 -7.899 -3.576 -9.086 1.00 4.02 H new ATOM 0 HG12 VAL A 65 -6.396 -3.330 -10.008 1.00 4.02 H new ATOM 0 HG13 VAL A 65 -6.323 -3.879 -8.317 1.00 4.02 H new ATOM 0 HG21 VAL A 65 -8.553 -1.992 -7.302 1.00 15.33 H new ATOM 0 HG22 VAL A 65 -7.006 -2.210 -6.449 1.00 15.33 H new ATOM 0 HG23 VAL A 65 -7.536 -0.580 -6.930 1.00 15.33 H new ATOM 1011 N LYS A 66 -4.811 -0.296 -10.612 1.00 23.22 N ATOM 1012 CA LYS A 66 -4.204 -0.202 -11.947 1.00 63.01 C ATOM 1013 C LYS A 66 -2.668 -0.328 -11.880 1.00 53.32 C ATOM 1014 O LYS A 66 -2.030 -0.781 -12.833 1.00 10.20 O ATOM 1015 CB LYS A 66 -4.590 1.137 -12.609 1.00 23.12 C ATOM 1016 CG LYS A 66 -5.193 0.996 -14.002 1.00 64.31 C ATOM 1017 CD LYS A 66 -6.555 0.310 -13.960 1.00 24.24 C ATOM 1018 CE LYS A 66 -7.166 0.185 -15.349 1.00 5.43 C ATOM 1019 NZ LYS A 66 -8.530 -0.404 -15.306 1.00 45.14 N ATOM 0 H LYS A 66 -5.340 0.532 -10.338 1.00 23.22 H new ATOM 0 HA LYS A 66 -4.585 -1.029 -12.546 1.00 63.01 H new ATOM 0 HB2 LYS A 66 -5.304 1.654 -11.967 1.00 23.12 H new ATOM 0 HB3 LYS A 66 -3.703 1.767 -12.672 1.00 23.12 H new ATOM 0 HG2 LYS A 66 -5.296 1.982 -14.456 1.00 64.31 H new ATOM 0 HG3 LYS A 66 -4.516 0.423 -14.635 1.00 64.31 H new ATOM 0 HD2 LYS A 66 -6.450 -0.681 -13.518 1.00 24.24 H new ATOM 0 HD3 LYS A 66 -7.228 0.876 -13.316 1.00 24.24 H new ATOM 0 HE2 LYS A 66 -7.211 1.169 -15.815 1.00 5.43 H new ATOM 0 HE3 LYS A 66 -6.523 -0.435 -15.974 1.00 5.43 H new ATOM 0 HZ1 LYS A 66 -8.910 -0.472 -16.272 1.00 45.14 H new ATOM 0 HZ2 LYS A 66 -8.485 -1.354 -14.885 1.00 45.14 H new ATOM 0 HZ3 LYS A 66 -9.151 0.201 -14.731 1.00 45.14 H new ATOM 1033 N MET A 67 -2.090 0.089 -10.751 1.00 60.31 N ATOM 1034 CA MET A 67 -0.636 0.015 -10.531 1.00 23.43 C ATOM 1035 C MET A 67 -0.089 -1.414 -10.710 1.00 4.01 C ATOM 1036 O MET A 67 1.033 -1.606 -11.189 1.00 54.53 O ATOM 1037 CB MET A 67 -0.290 0.531 -9.125 1.00 41.02 C ATOM 1038 CG MET A 67 -0.451 2.037 -8.963 1.00 74.34 C ATOM 1039 SD MET A 67 0.666 2.968 -10.030 1.00 44.21 S ATOM 1040 CE MET A 67 0.286 4.651 -9.552 1.00 2.11 C ATOM 0 H MET A 67 -2.608 0.485 -9.967 1.00 60.31 H new ATOM 0 HA MET A 67 -0.163 0.644 -11.285 1.00 23.43 H new ATOM 0 HB2 MET A 67 -0.926 0.027 -8.397 1.00 41.02 H new ATOM 0 HB3 MET A 67 0.739 0.258 -8.892 1.00 41.02 H new ATOM 0 HG2 MET A 67 -1.480 2.316 -9.188 1.00 74.34 H new ATOM 0 HG3 MET A 67 -0.267 2.309 -7.924 1.00 74.34 H new ATOM 0 HE1 MET A 67 0.027 5.231 -10.438 1.00 2.11 H new ATOM 0 HE2 MET A 67 -0.556 4.651 -8.860 1.00 2.11 H new ATOM 0 HE3 MET A 67 1.155 5.097 -9.067 1.00 2.11 H new ATOM 1050 N GLY A 68 -0.887 -2.409 -10.335 1.00 15.31 N ATOM 1051 CA GLY A 68 -0.459 -3.800 -10.451 1.00 5.30 C ATOM 1052 C GLY A 68 0.542 -4.219 -9.376 1.00 50.50 C ATOM 1053 O GLY A 68 0.700 -3.538 -8.364 1.00 11.51 O ATOM 0 H GLY A 68 -1.824 -2.281 -9.952 1.00 15.31 H new ATOM 0 HA2 GLY A 68 -1.334 -4.447 -10.394 1.00 5.30 H new ATOM 0 HA3 GLY A 68 -0.012 -3.954 -11.433 1.00 5.30 H new ATOM 1057 N TRP A 69 1.227 -5.339 -9.602 1.00 43.34 N ATOM 1058 CA TRP A 69 2.185 -5.871 -8.628 1.00 30.41 C ATOM 1059 C TRP A 69 3.476 -5.037 -8.583 1.00 11.23 C ATOM 1060 O TRP A 69 4.267 -5.046 -9.527 1.00 20.04 O ATOM 1061 CB TRP A 69 2.530 -7.329 -8.958 1.00 1.33 C ATOM 1062 CG TRP A 69 1.352 -8.257 -8.909 1.00 52.03 C ATOM 1063 CD1 TRP A 69 0.619 -8.711 -9.966 1.00 53.24 C ATOM 1064 CD2 TRP A 69 0.773 -8.848 -7.740 1.00 74.42 C ATOM 1065 NE1 TRP A 69 -0.373 -9.550 -9.526 1.00 54.12 N ATOM 1066 CE2 TRP A 69 -0.298 -9.653 -8.164 1.00 23.20 C ATOM 1067 CE3 TRP A 69 1.065 -8.780 -6.374 1.00 33.45 C ATOM 1068 CZ2 TRP A 69 -1.084 -10.377 -7.275 1.00 24.33 C ATOM 1069 CZ3 TRP A 69 0.285 -9.499 -5.491 1.00 23.03 C ATOM 1070 CH2 TRP A 69 -0.776 -10.294 -5.944 1.00 10.11 C ATOM 0 H TRP A 69 1.138 -5.897 -10.451 1.00 43.34 H new ATOM 0 HA TRP A 69 1.711 -5.819 -7.648 1.00 30.41 H new ATOM 0 HB2 TRP A 69 2.973 -7.371 -9.953 1.00 1.33 H new ATOM 0 HB3 TRP A 69 3.287 -7.681 -8.257 1.00 1.33 H new ATOM 0 HD1 TRP A 69 0.794 -8.448 -10.999 1.00 53.24 H new ATOM 0 HE1 TRP A 69 -1.056 -10.021 -10.119 1.00 54.12 H new ATOM 0 HE3 TRP A 69 1.886 -8.176 -6.017 1.00 33.45 H new ATOM 0 HZ2 TRP A 69 -1.908 -10.983 -7.622 1.00 24.33 H new ATOM 0 HZ3 TRP A 69 0.496 -9.448 -4.433 1.00 23.03 H new ATOM 0 HH2 TRP A 69 -1.362 -10.852 -5.229 1.00 10.11 H new ATOM 1081 N LYS A 70 3.683 -4.318 -7.484 1.00 42.13 N ATOM 1082 CA LYS A 70 4.895 -3.512 -7.296 1.00 70.41 C ATOM 1083 C LYS A 70 5.830 -4.129 -6.240 1.00 34.32 C ATOM 1084 O LYS A 70 5.383 -4.599 -5.192 1.00 55.25 O ATOM 1085 CB LYS A 70 4.516 -2.077 -6.896 1.00 3.55 C ATOM 1086 CG LYS A 70 3.805 -1.295 -7.998 1.00 63.20 C ATOM 1087 CD LYS A 70 4.699 -1.108 -9.225 1.00 72.51 C ATOM 1088 CE LYS A 70 4.029 -0.262 -10.302 1.00 11.02 C ATOM 1089 NZ LYS A 70 4.931 -0.031 -11.464 1.00 21.23 N ATOM 0 H LYS A 70 3.027 -4.274 -6.704 1.00 42.13 H new ATOM 0 HA LYS A 70 5.434 -3.493 -8.243 1.00 70.41 H new ATOM 0 HB2 LYS A 70 3.873 -2.113 -6.017 1.00 3.55 H new ATOM 0 HB3 LYS A 70 5.420 -1.540 -6.608 1.00 3.55 H new ATOM 0 HG2 LYS A 70 2.895 -1.820 -8.287 1.00 63.20 H new ATOM 0 HG3 LYS A 70 3.503 -0.320 -7.616 1.00 63.20 H new ATOM 0 HD2 LYS A 70 5.633 -0.635 -8.923 1.00 72.51 H new ATOM 0 HD3 LYS A 70 4.955 -2.084 -9.638 1.00 72.51 H new ATOM 0 HE2 LYS A 70 3.120 -0.758 -10.641 1.00 11.02 H new ATOM 0 HE3 LYS A 70 3.730 0.696 -9.878 1.00 11.02 H new ATOM 0 HZ1 LYS A 70 4.418 0.490 -12.204 1.00 21.23 H new ATOM 0 HZ2 LYS A 70 5.756 0.524 -11.158 1.00 21.23 H new ATOM 0 HZ3 LYS A 70 5.250 -0.945 -11.843 1.00 21.23 H new ATOM 1103 N SER A 71 7.131 -4.127 -6.531 1.00 73.42 N ATOM 1104 CA SER A 71 8.140 -4.663 -5.605 1.00 45.21 C ATOM 1105 C SER A 71 9.549 -4.152 -5.943 1.00 53.52 C ATOM 1106 O SER A 71 10.545 -4.797 -5.615 1.00 22.01 O ATOM 1107 CB SER A 71 8.137 -6.199 -5.642 1.00 22.54 C ATOM 1108 OG SER A 71 8.547 -6.689 -6.911 1.00 44.25 O ATOM 0 H SER A 71 7.516 -3.760 -7.402 1.00 73.42 H new ATOM 0 HA SER A 71 7.878 -4.317 -4.605 1.00 45.21 H new ATOM 0 HB2 SER A 71 8.803 -6.584 -4.869 1.00 22.54 H new ATOM 0 HB3 SER A 71 7.137 -6.568 -5.414 1.00 22.54 H new ATOM 0 HG SER A 71 8.536 -7.669 -6.902 1.00 44.25 H new ATOM 1114 N LYS A 72 9.635 -2.992 -6.586 1.00 20.41 N ATOM 1115 CA LYS A 72 10.932 -2.431 -6.998 1.00 72.14 C ATOM 1116 C LYS A 72 11.230 -1.109 -6.278 1.00 3.23 C ATOM 1117 O LYS A 72 10.337 -0.284 -6.074 1.00 34.13 O ATOM 1118 CB LYS A 72 10.952 -2.202 -8.517 1.00 35.24 C ATOM 1119 CG LYS A 72 10.699 -3.458 -9.347 1.00 12.40 C ATOM 1120 CD LYS A 72 11.773 -4.523 -9.129 1.00 24.55 C ATOM 1121 CE LYS A 72 11.563 -5.729 -10.041 1.00 0.44 C ATOM 1122 NZ LYS A 72 11.673 -5.367 -11.482 1.00 0.52 N ATOM 0 H LYS A 72 8.829 -2.418 -6.836 1.00 20.41 H new ATOM 0 HA LYS A 72 11.703 -3.151 -6.724 1.00 72.14 H new ATOM 0 HB2 LYS A 72 10.198 -1.456 -8.770 1.00 35.24 H new ATOM 0 HB3 LYS A 72 11.919 -1.785 -8.797 1.00 35.24 H new ATOM 0 HG2 LYS A 72 9.724 -3.871 -9.089 1.00 12.40 H new ATOM 0 HG3 LYS A 72 10.664 -3.192 -10.403 1.00 12.40 H new ATOM 0 HD2 LYS A 72 12.757 -4.092 -9.316 1.00 24.55 H new ATOM 0 HD3 LYS A 72 11.759 -4.847 -8.088 1.00 24.55 H new ATOM 0 HE2 LYS A 72 12.300 -6.496 -9.803 1.00 0.44 H new ATOM 0 HE3 LYS A 72 10.581 -6.161 -9.850 1.00 0.44 H new ATOM 0 HZ1 LYS A 72 11.762 -6.233 -12.052 1.00 0.52 H new ATOM 0 HZ2 LYS A 72 10.822 -4.845 -11.775 1.00 0.52 H new ATOM 0 HZ3 LYS A 72 12.512 -4.770 -11.627 1.00 0.52 H new ATOM 1136 N ALA A 73 12.495 -0.913 -5.900 1.00 72.13 N ATOM 1137 CA ALA A 73 12.929 0.339 -5.275 1.00 43.04 C ATOM 1138 C ALA A 73 12.789 1.523 -6.248 1.00 75.25 C ATOM 1139 O ALA A 73 13.566 1.660 -7.199 1.00 44.50 O ATOM 1140 CB ALA A 73 14.373 0.216 -4.792 1.00 51.45 C ATOM 0 H ALA A 73 13.236 -1.604 -6.015 1.00 72.13 H new ATOM 0 HA ALA A 73 12.284 0.530 -4.417 1.00 43.04 H new ATOM 0 HB1 ALA A 73 14.683 1.153 -4.330 1.00 51.45 H new ATOM 0 HB2 ALA A 73 14.445 -0.590 -4.062 1.00 51.45 H new ATOM 0 HB3 ALA A 73 15.023 -0.003 -5.639 1.00 51.45 H new ATOM 1146 N GLY A 74 11.794 2.372 -6.011 1.00 54.51 N ATOM 1147 CA GLY A 74 11.532 3.498 -6.911 1.00 70.13 C ATOM 1148 C GLY A 74 10.095 3.538 -7.428 1.00 74.32 C ATOM 1149 O GLY A 74 9.696 4.493 -8.102 1.00 43.41 O ATOM 0 H GLY A 74 11.161 2.307 -5.214 1.00 54.51 H new ATOM 0 HA2 GLY A 74 11.749 4.430 -6.388 1.00 70.13 H new ATOM 0 HA3 GLY A 74 12.214 3.442 -7.759 1.00 70.13 H new ATOM 1153 N ASP A 75 9.319 2.497 -7.133 1.00 4.12 N ATOM 1154 CA ASP A 75 7.896 2.470 -7.492 1.00 44.32 C ATOM 1155 C ASP A 75 7.019 2.997 -6.350 1.00 54.53 C ATOM 1156 O ASP A 75 7.283 2.741 -5.173 1.00 53.41 O ATOM 1157 CB ASP A 75 7.462 1.053 -7.877 1.00 51.43 C ATOM 1158 CG ASP A 75 7.794 0.725 -9.321 1.00 42.43 C ATOM 1159 OD1 ASP A 75 7.102 1.253 -10.220 1.00 1.04 O ATOM 1160 OD2 ASP A 75 8.730 -0.056 -9.569 1.00 33.04 O ATOM 0 H ASP A 75 9.647 1.662 -6.648 1.00 4.12 H new ATOM 0 HA ASP A 75 7.763 3.126 -8.352 1.00 44.32 H new ATOM 0 HB2 ASP A 75 7.952 0.334 -7.221 1.00 51.43 H new ATOM 0 HB3 ASP A 75 6.389 0.948 -7.720 1.00 51.43 H new ATOM 1165 N THR A 76 5.969 3.735 -6.711 1.00 30.31 N ATOM 1166 CA THR A 76 5.054 4.324 -5.725 1.00 61.23 C ATOM 1167 C THR A 76 3.586 4.133 -6.126 1.00 51.51 C ATOM 1168 O THR A 76 3.263 4.029 -7.310 1.00 12.43 O ATOM 1169 CB THR A 76 5.316 5.837 -5.528 1.00 40.11 C ATOM 1170 OG1 THR A 76 5.090 6.549 -6.758 1.00 73.30 O ATOM 1171 CG2 THR A 76 6.741 6.094 -5.042 1.00 22.32 C ATOM 0 H THR A 76 5.728 3.941 -7.680 1.00 30.31 H new ATOM 0 HA THR A 76 5.245 3.799 -4.789 1.00 61.23 H new ATOM 0 HB THR A 76 4.622 6.197 -4.768 1.00 40.11 H new ATOM 0 HG1 THR A 76 5.258 7.504 -6.618 1.00 73.30 H new ATOM 0 HG21 THR A 76 6.894 7.166 -4.913 1.00 22.32 H new ATOM 0 HG22 THR A 76 6.897 5.588 -4.089 1.00 22.32 H new ATOM 0 HG23 THR A 76 7.450 5.712 -5.776 1.00 22.32 H new ATOM 1179 N ILE A 77 2.700 4.110 -5.132 1.00 14.32 N ATOM 1180 CA ILE A 77 1.261 3.929 -5.361 1.00 14.51 C ATOM 1181 C ILE A 77 0.496 5.210 -4.993 1.00 32.32 C ATOM 1182 O ILE A 77 0.662 5.747 -3.897 1.00 24.23 O ATOM 1183 CB ILE A 77 0.697 2.753 -4.518 1.00 35.22 C ATOM 1184 CG1 ILE A 77 1.554 1.482 -4.695 1.00 1.13 C ATOM 1185 CG2 ILE A 77 -0.762 2.476 -4.885 1.00 42.10 C ATOM 1186 CD1 ILE A 77 1.604 0.957 -6.113 1.00 73.34 C ATOM 0 H ILE A 77 2.953 4.215 -4.150 1.00 14.32 H new ATOM 0 HA ILE A 77 1.127 3.704 -6.419 1.00 14.51 H new ATOM 0 HB ILE A 77 0.738 3.043 -3.468 1.00 35.22 H new ATOM 0 HG12 ILE A 77 2.570 1.694 -4.363 1.00 1.13 H new ATOM 0 HG13 ILE A 77 1.162 0.700 -4.044 1.00 1.13 H new ATOM 0 HG21 ILE A 77 -1.138 1.649 -4.283 1.00 42.10 H new ATOM 0 HG22 ILE A 77 -1.361 3.366 -4.693 1.00 42.10 H new ATOM 0 HG23 ILE A 77 -0.828 2.216 -5.941 1.00 42.10 H new ATOM 0 HD11 ILE A 77 2.227 0.063 -6.148 1.00 73.34 H new ATOM 0 HD12 ILE A 77 0.596 0.710 -6.445 1.00 73.34 H new ATOM 0 HD13 ILE A 77 2.026 1.719 -6.768 1.00 73.34 H new ATOM 1198 N VAL A 78 -0.338 5.697 -5.911 1.00 24.43 N ATOM 1199 CA VAL A 78 -1.051 6.967 -5.719 1.00 74.15 C ATOM 1200 C VAL A 78 -2.577 6.771 -5.637 1.00 51.15 C ATOM 1201 O VAL A 78 -3.202 6.261 -6.570 1.00 43.13 O ATOM 1202 CB VAL A 78 -0.736 7.962 -6.869 1.00 52.31 C ATOM 1203 CG1 VAL A 78 -1.431 9.306 -6.640 1.00 14.34 C ATOM 1204 CG2 VAL A 78 0.774 8.152 -7.023 1.00 11.03 C ATOM 0 H VAL A 78 -0.539 5.234 -6.797 1.00 24.43 H new ATOM 0 HA VAL A 78 -0.701 7.374 -4.771 1.00 74.15 H new ATOM 0 HB VAL A 78 -1.123 7.538 -7.795 1.00 52.31 H new ATOM 0 HG11 VAL A 78 -1.193 9.983 -7.460 1.00 14.34 H new ATOM 0 HG12 VAL A 78 -2.510 9.155 -6.596 1.00 14.34 H new ATOM 0 HG13 VAL A 78 -1.086 9.739 -5.701 1.00 14.34 H new ATOM 0 HG21 VAL A 78 0.972 8.853 -7.834 1.00 11.03 H new ATOM 0 HG22 VAL A 78 1.188 8.545 -6.095 1.00 11.03 H new ATOM 0 HG23 VAL A 78 1.240 7.193 -7.250 1.00 11.03 H new ATOM 1214 N CYS A 79 -3.166 7.171 -4.508 1.00 52.23 N ATOM 1215 CA CYS A 79 -4.629 7.208 -4.353 1.00 21.33 C ATOM 1216 C CYS A 79 -5.093 8.631 -4.025 1.00 14.41 C ATOM 1217 O CYS A 79 -5.339 8.973 -2.865 1.00 21.03 O ATOM 1218 CB CYS A 79 -5.092 6.233 -3.263 1.00 71.52 C ATOM 1219 SG CYS A 79 -4.735 4.503 -3.633 1.00 52.52 S ATOM 0 H CYS A 79 -2.652 7.476 -3.681 1.00 52.23 H new ATOM 0 HA CYS A 79 -5.078 6.899 -5.297 1.00 21.33 H new ATOM 0 HB2 CYS A 79 -4.611 6.500 -2.322 1.00 71.52 H new ATOM 0 HB3 CYS A 79 -6.166 6.349 -3.117 1.00 71.52 H new ATOM 0 HG CYS A 79 -5.848 3.833 -3.691 1.00 52.52 H new ATOM 1225 N LEU A 80 -5.205 9.450 -5.065 1.00 71.12 N ATOM 1226 CA LEU A 80 -5.500 10.882 -4.923 1.00 33.34 C ATOM 1227 C LEU A 80 -6.821 11.136 -4.149 1.00 73.01 C ATOM 1228 O LEU A 80 -6.817 11.855 -3.146 1.00 73.31 O ATOM 1229 CB LEU A 80 -5.528 11.537 -6.323 1.00 74.10 C ATOM 1230 CG LEU A 80 -5.265 13.057 -6.384 1.00 54.30 C ATOM 1231 CD1 LEU A 80 -5.041 13.496 -7.828 1.00 34.44 C ATOM 1232 CD2 LEU A 80 -6.415 13.855 -5.771 1.00 32.04 C ATOM 0 H LEU A 80 -5.095 9.146 -6.032 1.00 71.12 H new ATOM 0 HA LEU A 80 -4.710 11.340 -4.328 1.00 33.34 H new ATOM 0 HB2 LEU A 80 -4.786 11.038 -6.947 1.00 74.10 H new ATOM 0 HB3 LEU A 80 -6.503 11.342 -6.770 1.00 74.10 H new ATOM 0 HG LEU A 80 -4.368 13.259 -5.799 1.00 54.30 H new ATOM 0 HD11 LEU A 80 -4.857 14.570 -7.857 1.00 34.44 H new ATOM 0 HD12 LEU A 80 -4.180 12.969 -8.239 1.00 34.44 H new ATOM 0 HD13 LEU A 80 -5.926 13.263 -8.420 1.00 34.44 H new ATOM 0 HD21 LEU A 80 -6.192 14.920 -5.833 1.00 32.04 H new ATOM 0 HD22 LEU A 80 -7.335 13.644 -6.316 1.00 32.04 H new ATOM 0 HD23 LEU A 80 -6.539 13.570 -4.726 1.00 32.04 H new ATOM 1244 N PRO A 81 -7.967 10.535 -4.570 1.00 44.45 N ATOM 1245 CA PRO A 81 -9.276 10.786 -3.922 1.00 15.32 C ATOM 1246 C PRO A 81 -9.352 10.275 -2.470 1.00 14.25 C ATOM 1247 O PRO A 81 -10.312 10.555 -1.753 1.00 52.35 O ATOM 1248 CB PRO A 81 -10.268 10.022 -4.817 1.00 30.44 C ATOM 1249 CG PRO A 81 -9.448 8.963 -5.472 1.00 40.44 C ATOM 1250 CD PRO A 81 -8.092 9.575 -5.689 1.00 11.32 C ATOM 0 HA PRO A 81 -9.479 11.854 -3.840 1.00 15.32 H new ATOM 0 HB2 PRO A 81 -11.078 9.589 -4.230 1.00 30.44 H new ATOM 0 HB3 PRO A 81 -10.725 10.682 -5.554 1.00 30.44 H new ATOM 0 HG2 PRO A 81 -9.381 8.075 -4.843 1.00 40.44 H new ATOM 0 HG3 PRO A 81 -9.893 8.652 -6.417 1.00 40.44 H new ATOM 0 HD2 PRO A 81 -7.303 8.823 -5.664 1.00 11.32 H new ATOM 0 HD3 PRO A 81 -8.026 10.074 -6.656 1.00 11.32 H new ATOM 1258 N HIS A 82 -8.346 9.513 -2.040 1.00 61.33 N ATOM 1259 CA HIS A 82 -8.285 9.009 -0.660 1.00 12.12 C ATOM 1260 C HIS A 82 -7.100 9.609 0.113 1.00 23.11 C ATOM 1261 O HIS A 82 -6.948 9.363 1.311 1.00 52.11 O ATOM 1262 CB HIS A 82 -8.184 7.476 -0.653 1.00 55.42 C ATOM 1263 CG HIS A 82 -9.440 6.765 -1.068 1.00 40.13 C ATOM 1264 ND1 HIS A 82 -9.551 5.394 -1.076 1.00 14.21 N ATOM 1265 CD2 HIS A 82 -10.645 7.232 -1.477 1.00 64.33 C ATOM 1266 CE1 HIS A 82 -10.754 5.046 -1.466 1.00 74.41 C ATOM 1267 NE2 HIS A 82 -11.445 6.141 -1.716 1.00 51.44 N ATOM 0 H HIS A 82 -7.560 9.229 -2.625 1.00 61.33 H new ATOM 0 HA HIS A 82 -9.205 9.315 -0.162 1.00 12.12 H new ATOM 0 HB2 HIS A 82 -7.375 7.175 -1.319 1.00 55.42 H new ATOM 0 HB3 HIS A 82 -7.911 7.148 0.350 1.00 55.42 H new ATOM 0 HD1 HIS A 82 -8.808 4.745 -0.817 1.00 14.21 H new ATOM 0 HD2 HIS A 82 -10.924 8.269 -1.593 1.00 64.33 H new ATOM 0 HE1 HIS A 82 -11.117 4.034 -1.566 1.00 74.41 H new ATOM 1276 N LYS A 83 -6.262 10.392 -0.578 1.00 33.20 N ATOM 1277 CA LYS A 83 -5.058 10.994 0.024 1.00 33.25 C ATOM 1278 C LYS A 83 -4.124 9.920 0.611 1.00 63.13 C ATOM 1279 O LYS A 83 -3.484 10.124 1.646 1.00 20.41 O ATOM 1280 CB LYS A 83 -5.452 12.020 1.101 1.00 24.34 C ATOM 1281 CG LYS A 83 -6.351 13.132 0.572 1.00 23.12 C ATOM 1282 CD LYS A 83 -6.625 14.200 1.628 1.00 3.34 C ATOM 1283 CE LYS A 83 -7.587 15.263 1.114 1.00 43.45 C ATOM 1284 NZ LYS A 83 -7.089 15.913 -0.126 1.00 51.44 N ATOM 0 H LYS A 83 -6.394 10.627 -1.562 1.00 33.20 H new ATOM 0 HA LYS A 83 -4.511 11.509 -0.766 1.00 33.25 H new ATOM 0 HB2 LYS A 83 -5.963 11.505 1.915 1.00 24.34 H new ATOM 0 HB3 LYS A 83 -4.548 12.461 1.521 1.00 24.34 H new ATOM 0 HG2 LYS A 83 -5.882 13.594 -0.297 1.00 23.12 H new ATOM 0 HG3 LYS A 83 -7.296 12.705 0.235 1.00 23.12 H new ATOM 0 HD2 LYS A 83 -7.042 13.732 2.520 1.00 3.34 H new ATOM 0 HD3 LYS A 83 -5.687 14.670 1.923 1.00 3.34 H new ATOM 0 HE2 LYS A 83 -8.559 14.809 0.920 1.00 43.45 H new ATOM 0 HE3 LYS A 83 -7.737 16.019 1.885 1.00 43.45 H new ATOM 0 HZ1 LYS A 83 -7.671 16.748 -0.338 1.00 51.44 H new ATOM 0 HZ2 LYS A 83 -6.100 16.205 0.008 1.00 51.44 H new ATOM 0 HZ3 LYS A 83 -7.147 15.241 -0.918 1.00 51.44 H new ATOM 1298 N VAL A 84 -4.047 8.780 -0.073 1.00 32.11 N ATOM 1299 CA VAL A 84 -3.169 7.677 0.338 1.00 43.42 C ATOM 1300 C VAL A 84 -2.017 7.488 -0.663 1.00 1.15 C ATOM 1301 O VAL A 84 -2.214 7.564 -1.878 1.00 32.12 O ATOM 1302 CB VAL A 84 -3.957 6.344 0.475 1.00 54.44 C ATOM 1303 CG1 VAL A 84 -3.038 5.199 0.911 1.00 62.55 C ATOM 1304 CG2 VAL A 84 -5.124 6.503 1.452 1.00 35.14 C ATOM 0 H VAL A 84 -4.584 8.592 -0.920 1.00 32.11 H new ATOM 0 HA VAL A 84 -2.758 7.942 1.312 1.00 43.42 H new ATOM 0 HB VAL A 84 -4.361 6.093 -0.506 1.00 54.44 H new ATOM 0 HG11 VAL A 84 -3.618 4.280 0.998 1.00 62.55 H new ATOM 0 HG12 VAL A 84 -2.250 5.062 0.170 1.00 62.55 H new ATOM 0 HG13 VAL A 84 -2.591 5.439 1.876 1.00 62.55 H new ATOM 0 HG21 VAL A 84 -5.662 5.558 1.533 1.00 35.14 H new ATOM 0 HG22 VAL A 84 -4.742 6.788 2.432 1.00 35.14 H new ATOM 0 HG23 VAL A 84 -5.801 7.276 1.088 1.00 35.14 H new ATOM 1314 N PHE A 85 -0.819 7.242 -0.144 1.00 43.25 N ATOM 1315 CA PHE A 85 0.385 7.105 -0.970 1.00 63.41 C ATOM 1316 C PHE A 85 1.286 5.983 -0.426 1.00 64.53 C ATOM 1317 O PHE A 85 1.303 5.722 0.773 1.00 12.11 O ATOM 1318 CB PHE A 85 1.139 8.445 -0.989 1.00 12.34 C ATOM 1319 CG PHE A 85 2.320 8.491 -1.926 1.00 54.43 C ATOM 1320 CD1 PHE A 85 2.135 8.667 -3.291 1.00 25.11 C ATOM 1321 CD2 PHE A 85 3.615 8.369 -1.443 1.00 55.43 C ATOM 1322 CE1 PHE A 85 3.215 8.719 -4.150 1.00 62.42 C ATOM 1323 CE2 PHE A 85 4.697 8.421 -2.298 1.00 14.01 C ATOM 1324 CZ PHE A 85 4.497 8.597 -3.652 1.00 13.21 C ATOM 0 H PHE A 85 -0.651 7.132 0.856 1.00 43.25 H new ATOM 0 HA PHE A 85 0.098 6.840 -1.988 1.00 63.41 H new ATOM 0 HB2 PHE A 85 0.441 9.235 -1.267 1.00 12.34 H new ATOM 0 HB3 PHE A 85 1.485 8.666 0.021 1.00 12.34 H new ATOM 0 HD1 PHE A 85 1.134 8.764 -3.686 1.00 25.11 H new ATOM 0 HD2 PHE A 85 3.778 8.232 -0.384 1.00 55.43 H new ATOM 0 HE1 PHE A 85 3.057 8.855 -5.210 1.00 62.42 H new ATOM 0 HE2 PHE A 85 5.699 8.324 -1.908 1.00 14.01 H new ATOM 0 HZ PHE A 85 5.343 8.639 -4.322 1.00 13.21 H new ATOM 1334 N VAL A 86 2.012 5.303 -1.312 1.00 44.30 N ATOM 1335 CA VAL A 86 2.911 4.209 -0.902 1.00 23.22 C ATOM 1336 C VAL A 86 4.236 4.248 -1.682 1.00 61.42 C ATOM 1337 O VAL A 86 4.248 4.034 -2.890 1.00 42.54 O ATOM 1338 CB VAL A 86 2.250 2.817 -1.119 1.00 54.52 C ATOM 1339 CG1 VAL A 86 3.172 1.692 -0.648 1.00 41.02 C ATOM 1340 CG2 VAL A 86 0.898 2.737 -0.413 1.00 74.43 C ATOM 0 H VAL A 86 2.000 5.484 -2.316 1.00 44.30 H new ATOM 0 HA VAL A 86 3.110 4.355 0.160 1.00 23.22 H new ATOM 0 HB VAL A 86 2.082 2.692 -2.189 1.00 54.52 H new ATOM 0 HG11 VAL A 86 2.685 0.730 -0.811 1.00 41.02 H new ATOM 0 HG12 VAL A 86 4.105 1.727 -1.211 1.00 41.02 H new ATOM 0 HG13 VAL A 86 3.384 1.816 0.414 1.00 41.02 H new ATOM 0 HG21 VAL A 86 0.458 1.754 -0.581 1.00 74.43 H new ATOM 0 HG22 VAL A 86 1.036 2.895 0.657 1.00 74.43 H new ATOM 0 HG23 VAL A 86 0.234 3.505 -0.810 1.00 74.43 H new ATOM 1350 N GLU A 87 5.346 4.516 -0.998 1.00 11.23 N ATOM 1351 CA GLU A 87 6.668 4.527 -1.646 1.00 24.54 C ATOM 1352 C GLU A 87 7.508 3.296 -1.253 1.00 64.31 C ATOM 1353 O GLU A 87 7.701 3.003 -0.074 1.00 72.31 O ATOM 1354 CB GLU A 87 7.434 5.828 -1.332 1.00 63.12 C ATOM 1355 CG GLU A 87 7.525 6.189 0.152 1.00 3.15 C ATOM 1356 CD GLU A 87 6.307 6.958 0.654 1.00 71.13 C ATOM 1357 OE1 GLU A 87 6.283 8.198 0.490 1.00 50.24 O ATOM 1358 OE2 GLU A 87 5.378 6.334 1.206 1.00 55.14 O ATOM 0 H GLU A 87 5.363 4.728 -0.000 1.00 11.23 H new ATOM 0 HA GLU A 87 6.496 4.482 -2.721 1.00 24.54 H new ATOM 0 HB2 GLU A 87 8.445 5.741 -1.731 1.00 63.12 H new ATOM 0 HB3 GLU A 87 6.953 6.651 -1.861 1.00 63.12 H new ATOM 0 HG2 GLU A 87 7.637 5.276 0.736 1.00 3.15 H new ATOM 0 HG3 GLU A 87 8.420 6.787 0.321 1.00 3.15 H new ATOM 1365 N ILE A 88 8.005 2.573 -2.257 1.00 55.13 N ATOM 1366 CA ILE A 88 8.833 1.382 -2.025 1.00 70.05 C ATOM 1367 C ILE A 88 10.339 1.717 -2.082 1.00 42.14 C ATOM 1368 O ILE A 88 10.841 2.218 -3.091 1.00 50.12 O ATOM 1369 CB ILE A 88 8.513 0.271 -3.059 1.00 52.01 C ATOM 1370 CG1 ILE A 88 7.019 -0.105 -2.993 1.00 23.30 C ATOM 1371 CG2 ILE A 88 9.394 -0.959 -2.824 1.00 43.10 C ATOM 1372 CD1 ILE A 88 6.606 -1.156 -4.002 1.00 40.25 C ATOM 0 H ILE A 88 7.850 2.789 -3.242 1.00 55.13 H new ATOM 0 HA ILE A 88 8.594 1.020 -1.025 1.00 70.05 H new ATOM 0 HB ILE A 88 8.729 0.654 -4.056 1.00 52.01 H new ATOM 0 HG12 ILE A 88 6.789 -0.467 -1.991 1.00 23.30 H new ATOM 0 HG13 ILE A 88 6.421 0.792 -3.152 1.00 23.30 H new ATOM 0 HG21 ILE A 88 9.153 -1.726 -3.560 1.00 43.10 H new ATOM 0 HG22 ILE A 88 10.443 -0.679 -2.922 1.00 43.10 H new ATOM 0 HG23 ILE A 88 9.215 -1.349 -1.822 1.00 43.10 H new ATOM 0 HD11 ILE A 88 5.542 -1.367 -3.893 1.00 40.25 H new ATOM 0 HD12 ILE A 88 6.802 -0.790 -5.010 1.00 40.25 H new ATOM 0 HD13 ILE A 88 7.176 -2.069 -3.830 1.00 40.25 H new ATOM 1384 N LYS A 89 11.055 1.424 -0.993 1.00 55.15 N ATOM 1385 CA LYS A 89 12.495 1.712 -0.899 1.00 62.11 C ATOM 1386 C LYS A 89 13.303 0.429 -0.618 1.00 23.41 C ATOM 1387 O LYS A 89 12.796 -0.512 -0.011 1.00 13.43 O ATOM 1388 CB LYS A 89 12.750 2.752 0.205 1.00 54.24 C ATOM 1389 CG LYS A 89 12.273 2.316 1.588 1.00 44.42 C ATOM 1390 CD LYS A 89 12.460 3.400 2.654 1.00 10.10 C ATOM 1391 CE LYS A 89 13.934 3.691 2.960 1.00 33.32 C ATOM 1392 NZ LYS A 89 14.582 4.547 1.927 1.00 1.22 N ATOM 0 H LYS A 89 10.662 0.986 -0.160 1.00 55.15 H new ATOM 0 HA LYS A 89 12.826 2.115 -1.856 1.00 62.11 H new ATOM 0 HB2 LYS A 89 13.818 2.965 0.250 1.00 54.24 H new ATOM 0 HB3 LYS A 89 12.251 3.683 -0.064 1.00 54.24 H new ATOM 0 HG2 LYS A 89 11.219 2.045 1.534 1.00 44.42 H new ATOM 0 HG3 LYS A 89 12.817 1.421 1.889 1.00 44.42 H new ATOM 0 HD2 LYS A 89 11.976 4.318 2.320 1.00 10.10 H new ATOM 0 HD3 LYS A 89 11.958 3.091 3.571 1.00 10.10 H new ATOM 0 HE2 LYS A 89 14.008 4.182 3.930 1.00 33.32 H new ATOM 0 HE3 LYS A 89 14.477 2.749 3.037 1.00 33.32 H new ATOM 0 HZ1 LYS A 89 15.191 3.960 1.322 1.00 1.22 H new ATOM 0 HZ2 LYS A 89 13.850 5.002 1.344 1.00 1.22 H new ATOM 0 HZ3 LYS A 89 15.157 5.278 2.393 1.00 1.22 H new ATOM 1406 N SER A 90 14.555 0.400 -1.063 1.00 72.32 N ATOM 1407 CA SER A 90 15.419 -0.781 -0.880 1.00 74.21 C ATOM 1408 C SER A 90 15.945 -0.889 0.560 1.00 14.12 C ATOM 1409 O SER A 90 16.139 0.121 1.240 1.00 25.53 O ATOM 1410 CB SER A 90 16.600 -0.736 -1.857 1.00 62.44 C ATOM 1411 OG SER A 90 17.452 -1.863 -1.696 1.00 13.33 O ATOM 0 H SER A 90 15.002 1.175 -1.553 1.00 72.32 H new ATOM 0 HA SER A 90 14.809 -1.661 -1.084 1.00 74.21 H new ATOM 0 HB2 SER A 90 16.226 -0.704 -2.880 1.00 62.44 H new ATOM 0 HB3 SER A 90 17.171 0.179 -1.698 1.00 62.44 H new ATOM 0 HG SER A 90 16.913 -2.652 -1.479 1.00 13.33 H new ATOM 1417 N THR A 91 16.170 -2.122 1.023 1.00 61.05 N ATOM 1418 CA THR A 91 16.697 -2.355 2.379 1.00 43.41 C ATOM 1419 C THR A 91 18.203 -2.077 2.445 1.00 24.30 C ATOM 1420 O THR A 91 18.740 -1.732 3.501 1.00 64.43 O ATOM 1421 CB THR A 91 16.445 -3.806 2.866 1.00 11.12 C ATOM 1422 OG1 THR A 91 17.283 -4.726 2.151 1.00 34.30 O ATOM 1423 CG2 THR A 91 14.985 -4.204 2.682 1.00 61.11 C ATOM 0 H THR A 91 15.998 -2.972 0.486 1.00 61.05 H new ATOM 0 HA THR A 91 16.162 -1.665 3.031 1.00 43.41 H new ATOM 0 HB THR A 91 16.686 -3.844 3.928 1.00 11.12 H new ATOM 0 HG1 THR A 91 17.361 -5.560 2.660 1.00 34.30 H new ATOM 0 HG21 THR A 91 14.840 -5.226 3.032 1.00 61.11 H new ATOM 0 HG22 THR A 91 14.349 -3.530 3.256 1.00 61.11 H new ATOM 0 HG23 THR A 91 14.721 -4.141 1.626 1.00 61.11 H new ATOM 1431 N GLN A 92 18.885 -2.240 1.310 1.00 10.24 N ATOM 1432 CA GLN A 92 20.323 -1.958 1.218 1.00 74.22 C ATOM 1433 C GLN A 92 20.598 -0.447 1.316 1.00 44.34 C ATOM 1434 O GLN A 92 19.675 0.353 1.470 1.00 53.24 O ATOM 1435 CB GLN A 92 20.883 -2.509 -0.101 1.00 23.35 C ATOM 1436 CG GLN A 92 20.774 -4.025 -0.236 1.00 30.11 C ATOM 1437 CD GLN A 92 21.633 -4.786 0.766 1.00 45.43 C ATOM 1438 OE1 GLN A 92 21.282 -5.877 1.194 1.00 72.42 O ATOM 1439 NE2 GLN A 92 22.779 -4.237 1.127 1.00 3.32 N ATOM 0 H GLN A 92 18.466 -2.566 0.439 1.00 10.24 H new ATOM 0 HA GLN A 92 20.820 -2.450 2.054 1.00 74.22 H new ATOM 0 HB2 GLN A 92 20.354 -2.042 -0.932 1.00 23.35 H new ATOM 0 HB3 GLN A 92 21.931 -2.221 -0.187 1.00 23.35 H new ATOM 0 HG2 GLN A 92 19.732 -4.320 -0.108 1.00 30.11 H new ATOM 0 HG3 GLN A 92 21.065 -4.314 -1.246 1.00 30.11 H new ATOM 0 HE21 GLN A 92 23.048 -3.326 0.755 1.00 3.32 H new ATOM 0 HE22 GLN A 92 23.395 -4.724 1.778 1.00 3.32 H new ATOM 1448 N LYS A 93 21.867 -0.055 1.214 1.00 33.34 N ATOM 1449 CA LYS A 93 22.239 1.364 1.315 1.00 12.02 C ATOM 1450 C LYS A 93 21.926 2.125 0.012 1.00 10.23 C ATOM 1451 O LYS A 93 22.819 2.671 -0.637 1.00 3.41 O ATOM 1452 CB LYS A 93 23.729 1.507 1.675 1.00 20.33 C ATOM 1453 CG LYS A 93 24.127 0.793 2.967 1.00 11.33 C ATOM 1454 CD LYS A 93 23.377 1.319 4.199 1.00 3.40 C ATOM 1455 CE LYS A 93 23.872 2.695 4.656 1.00 31.30 C ATOM 1456 NZ LYS A 93 23.494 3.788 3.719 1.00 61.10 N ATOM 0 H LYS A 93 22.651 -0.689 1.063 1.00 33.34 H new ATOM 0 HA LYS A 93 21.640 1.807 2.111 1.00 12.02 H new ATOM 0 HB2 LYS A 93 24.330 1.114 0.855 1.00 20.33 H new ATOM 0 HB3 LYS A 93 23.970 2.566 1.768 1.00 20.33 H new ATOM 0 HG2 LYS A 93 23.934 -0.274 2.860 1.00 11.33 H new ATOM 0 HG3 LYS A 93 25.199 0.909 3.124 1.00 11.33 H new ATOM 0 HD2 LYS A 93 22.313 1.378 3.972 1.00 3.40 H new ATOM 0 HD3 LYS A 93 23.489 0.608 5.017 1.00 3.40 H new ATOM 0 HE2 LYS A 93 23.464 2.913 5.643 1.00 31.30 H new ATOM 0 HE3 LYS A 93 24.957 2.670 4.758 1.00 31.30 H new ATOM 0 HZ1 LYS A 93 23.181 4.618 4.262 1.00 61.10 H new ATOM 0 HZ2 LYS A 93 24.316 4.045 3.136 1.00 61.10 H new ATOM 0 HZ3 LYS A 93 22.720 3.465 3.103 1.00 61.10 H new ATOM 1470 N ASP A 94 20.649 2.145 -0.365 1.00 21.41 N ATOM 1471 CA ASP A 94 20.187 2.894 -1.534 1.00 22.51 C ATOM 1472 C ASP A 94 20.331 4.403 -1.275 1.00 61.44 C ATOM 1473 O ASP A 94 19.600 4.974 -0.466 1.00 54.42 O ATOM 1474 CB ASP A 94 18.726 2.505 -1.829 1.00 15.24 C ATOM 1475 CG ASP A 94 18.123 3.218 -3.030 1.00 31.44 C ATOM 1476 OD1 ASP A 94 18.821 3.387 -4.049 1.00 5.42 O ATOM 1477 OD2 ASP A 94 16.939 3.610 -2.959 1.00 61.33 O ATOM 0 H ASP A 94 19.908 1.646 0.128 1.00 21.41 H new ATOM 0 HA ASP A 94 20.793 2.650 -2.406 1.00 22.51 H new ATOM 0 HB2 ASP A 94 18.674 1.429 -1.995 1.00 15.24 H new ATOM 0 HB3 ASP A 94 18.119 2.721 -0.950 1.00 15.24 H new ATOM 1482 N SER A 95 21.304 5.034 -1.936 1.00 55.34 N ATOM 1483 CA SER A 95 21.636 6.448 -1.679 1.00 31.13 C ATOM 1484 C SER A 95 20.468 7.387 -2.009 1.00 40.51 C ATOM 1485 O SER A 95 20.421 7.991 -3.084 1.00 64.23 O ATOM 1486 CB SER A 95 22.883 6.871 -2.473 1.00 53.40 C ATOM 1487 OG SER A 95 24.014 6.090 -2.120 1.00 13.30 O ATOM 0 H SER A 95 21.879 4.593 -2.654 1.00 55.34 H new ATOM 0 HA SER A 95 21.842 6.532 -0.612 1.00 31.13 H new ATOM 0 HB2 SER A 95 22.688 6.769 -3.541 1.00 53.40 H new ATOM 0 HB3 SER A 95 23.094 7.924 -2.287 1.00 53.40 H new ATOM 0 HG SER A 95 24.789 6.382 -2.643 1.00 13.30 H new ATOM 1493 N LYS A 96 19.525 7.494 -1.080 1.00 55.15 N ATOM 1494 CA LYS A 96 18.357 8.370 -1.234 1.00 45.33 C ATOM 1495 C LYS A 96 18.132 9.224 0.022 1.00 41.41 C ATOM 1496 O LYS A 96 18.749 9.001 1.067 1.00 74.42 O ATOM 1497 CB LYS A 96 17.087 7.538 -1.484 1.00 41.43 C ATOM 1498 CG LYS A 96 17.115 6.669 -2.739 1.00 11.31 C ATOM 1499 CD LYS A 96 17.133 7.493 -4.024 1.00 43.01 C ATOM 1500 CE LYS A 96 16.808 6.637 -5.248 1.00 64.13 C ATOM 1501 NZ LYS A 96 17.765 5.509 -5.429 1.00 71.22 N ATOM 0 H LYS A 96 19.543 6.980 -0.199 1.00 55.15 H new ATOM 0 HA LYS A 96 18.554 9.021 -2.086 1.00 45.33 H new ATOM 0 HB2 LYS A 96 16.917 6.895 -0.620 1.00 41.43 H new ATOM 0 HB3 LYS A 96 16.235 8.215 -1.549 1.00 41.43 H new ATOM 0 HG2 LYS A 96 17.995 6.026 -2.712 1.00 11.31 H new ATOM 0 HG3 LYS A 96 16.243 6.015 -2.743 1.00 11.31 H new ATOM 0 HD2 LYS A 96 16.411 8.305 -3.946 1.00 43.01 H new ATOM 0 HD3 LYS A 96 18.114 7.950 -4.150 1.00 43.01 H new ATOM 0 HE2 LYS A 96 15.798 6.239 -5.151 1.00 64.13 H new ATOM 0 HE3 LYS A 96 16.819 7.265 -6.139 1.00 64.13 H new ATOM 0 HZ1 LYS A 96 17.618 5.075 -6.363 1.00 71.22 H new ATOM 0 HZ2 LYS A 96 18.739 5.866 -5.363 1.00 71.22 H new ATOM 0 HZ3 LYS A 96 17.606 4.797 -4.688 1.00 71.22 H new ATOM 1515 N ASP A 97 17.246 10.203 -0.095 1.00 71.35 N ATOM 1516 CA ASP A 97 16.781 10.973 1.061 1.00 11.44 C ATOM 1517 C ASP A 97 15.777 10.149 1.897 1.00 75.05 C ATOM 1518 O ASP A 97 15.037 9.324 1.352 1.00 50.12 O ATOM 1519 CB ASP A 97 16.159 12.293 0.590 1.00 1.23 C ATOM 1520 CG ASP A 97 15.339 12.118 -0.675 1.00 2.14 C ATOM 1521 OD1 ASP A 97 14.159 11.737 -0.585 1.00 73.14 O ATOM 1522 OD2 ASP A 97 15.884 12.345 -1.774 1.00 63.54 O ATOM 0 H ASP A 97 16.830 10.488 -0.982 1.00 71.35 H new ATOM 0 HA ASP A 97 17.633 11.202 1.702 1.00 11.44 H new ATOM 0 HB2 ASP A 97 15.525 12.697 1.380 1.00 1.23 H new ATOM 0 HB3 ASP A 97 16.949 13.022 0.411 1.00 1.23 H new ATOM 1527 N PRO A 98 15.751 10.333 3.234 1.00 10.34 N ATOM 1528 CA PRO A 98 14.907 9.518 4.123 1.00 32.24 C ATOM 1529 C PRO A 98 13.408 9.888 4.089 1.00 45.34 C ATOM 1530 O PRO A 98 12.587 9.113 3.588 1.00 3.01 O ATOM 1531 CB PRO A 98 15.509 9.780 5.511 1.00 71.25 C ATOM 1532 CG PRO A 98 16.114 11.141 5.417 1.00 1.22 C ATOM 1533 CD PRO A 98 16.555 11.323 3.983 1.00 61.21 C ATOM 0 HA PRO A 98 14.913 8.471 3.821 1.00 32.24 H new ATOM 0 HB2 PRO A 98 14.745 9.740 6.287 1.00 71.25 H new ATOM 0 HB3 PRO A 98 16.259 9.031 5.764 1.00 71.25 H new ATOM 0 HG2 PRO A 98 15.391 11.906 5.699 1.00 1.22 H new ATOM 0 HG3 PRO A 98 16.961 11.236 6.097 1.00 1.22 H new ATOM 0 HD2 PRO A 98 16.366 12.338 3.633 1.00 61.21 H new ATOM 0 HD3 PRO A 98 17.623 11.140 3.867 1.00 61.21 H new ATOM 1541 N ASP A 99 13.055 11.063 4.632 1.00 62.44 N ATOM 1542 CA ASP A 99 11.649 11.478 4.785 1.00 11.04 C ATOM 1543 C ASP A 99 10.819 10.439 5.567 1.00 12.02 C ATOM 1544 O ASP A 99 9.589 10.470 5.560 1.00 61.02 O ATOM 1545 CB ASP A 99 11.012 11.765 3.419 1.00 25.05 C ATOM 1546 CG ASP A 99 11.601 12.999 2.763 1.00 33.13 C ATOM 1547 OD1 ASP A 99 11.338 14.119 3.250 1.00 3.12 O ATOM 1548 OD2 ASP A 99 12.337 12.861 1.763 1.00 60.23 O ATOM 0 H ASP A 99 13.728 11.748 4.975 1.00 62.44 H new ATOM 0 HA ASP A 99 11.648 12.398 5.369 1.00 11.04 H new ATOM 0 HB2 ASP A 99 11.154 10.905 2.765 1.00 25.05 H new ATOM 0 HB3 ASP A 99 9.937 11.898 3.541 1.00 25.05 H new ATOM 1553 N THR A 100 11.508 9.540 6.273 1.00 14.42 N ATOM 1554 CA THR A 100 10.846 8.496 7.065 1.00 22.34 C ATOM 1555 C THR A 100 10.718 8.937 8.533 1.00 63.21 C ATOM 1556 O THR A 100 10.418 8.136 9.423 1.00 44.11 O ATOM 1557 CB THR A 100 11.626 7.154 6.983 1.00 71.22 C ATOM 1558 OG1 THR A 100 12.041 6.906 5.628 1.00 40.41 O ATOM 1559 CG2 THR A 100 10.772 5.979 7.459 1.00 50.04 C ATOM 0 H THR A 100 12.527 9.512 6.314 1.00 14.42 H new ATOM 0 HA THR A 100 9.850 8.342 6.650 1.00 22.34 H new ATOM 0 HB THR A 100 12.496 7.242 7.634 1.00 71.22 H new ATOM 0 HG1 THR A 100 12.533 6.059 5.586 1.00 40.41 H new ATOM 0 HG21 THR A 100 11.349 5.057 7.388 1.00 50.04 H new ATOM 0 HG22 THR A 100 10.474 6.142 8.495 1.00 50.04 H new ATOM 0 HG23 THR A 100 9.882 5.899 6.834 1.00 50.04 H new ATOM 1567 N ASP A 101 10.958 10.225 8.776 1.00 64.03 N ATOM 1568 CA ASP A 101 10.804 10.820 10.102 1.00 64.43 C ATOM 1569 C ASP A 101 9.341 10.734 10.578 1.00 51.14 C ATOM 1570 O ASP A 101 8.534 11.641 10.350 1.00 20.25 O ATOM 1571 CB ASP A 101 11.272 12.280 10.070 1.00 3.23 C ATOM 1572 CG ASP A 101 12.722 12.416 9.624 1.00 73.42 C ATOM 1573 OD1 ASP A 101 12.998 12.267 8.414 1.00 12.32 O ATOM 1574 OD2 ASP A 101 13.591 12.673 10.485 1.00 41.32 O ATOM 0 H ASP A 101 11.264 10.884 8.060 1.00 64.03 H new ATOM 0 HA ASP A 101 11.419 10.262 10.808 1.00 64.43 H new ATOM 0 HB2 ASP A 101 10.632 12.849 9.395 1.00 3.23 H new ATOM 0 HB3 ASP A 101 11.157 12.717 11.062 1.00 3.23 H new ATOM 1579 N LEU A 102 8.999 9.624 11.222 1.00 72.31 N ATOM 1580 CA LEU A 102 7.624 9.367 11.646 1.00 74.12 C ATOM 1581 C LEU A 102 7.281 10.079 12.964 1.00 24.43 C ATOM 1582 O LEU A 102 7.646 9.626 14.054 1.00 12.33 O ATOM 1583 CB LEU A 102 7.383 7.855 11.781 1.00 44.41 C ATOM 1584 CG LEU A 102 5.969 7.448 12.238 1.00 31.34 C ATOM 1585 CD1 LEU A 102 4.906 8.006 11.295 1.00 54.01 C ATOM 1586 CD2 LEU A 102 5.854 5.927 12.341 1.00 63.15 C ATOM 0 H LEU A 102 9.657 8.883 11.464 1.00 72.31 H new ATOM 0 HA LEU A 102 6.966 9.771 10.877 1.00 74.12 H new ATOM 0 HB2 LEU A 102 7.584 7.385 10.818 1.00 44.41 H new ATOM 0 HB3 LEU A 102 8.106 7.451 12.490 1.00 44.41 H new ATOM 0 HG LEU A 102 5.798 7.874 13.227 1.00 31.34 H new ATOM 0 HD11 LEU A 102 3.918 7.704 11.641 1.00 54.01 H new ATOM 0 HD12 LEU A 102 4.968 9.094 11.280 1.00 54.01 H new ATOM 0 HD13 LEU A 102 5.072 7.619 10.290 1.00 54.01 H new ATOM 0 HD21 LEU A 102 4.848 5.659 12.665 1.00 63.15 H new ATOM 0 HD22 LEU A 102 6.052 5.480 11.367 1.00 63.15 H new ATOM 0 HD23 LEU A 102 6.579 5.555 13.065 1.00 63.15 H new ATOM 1598 N ILE A 103 6.593 11.209 12.855 1.00 53.34 N ATOM 1599 CA ILE A 103 6.057 11.905 14.022 1.00 41.30 C ATOM 1600 C ILE A 103 4.616 11.446 14.296 1.00 43.22 C ATOM 1601 O ILE A 103 3.707 11.730 13.514 1.00 40.53 O ATOM 1602 CB ILE A 103 6.089 13.440 13.822 1.00 2.33 C ATOM 1603 CG1 ILE A 103 7.530 13.911 13.542 1.00 14.12 C ATOM 1604 CG2 ILE A 103 5.513 14.155 15.045 1.00 62.42 C ATOM 1605 CD1 ILE A 103 7.654 15.402 13.292 1.00 62.43 C ATOM 0 H ILE A 103 6.391 11.666 11.966 1.00 53.34 H new ATOM 0 HA ILE A 103 6.685 11.658 14.878 1.00 41.30 H new ATOM 0 HB ILE A 103 5.470 13.692 12.961 1.00 2.33 H new ATOM 0 HG12 ILE A 103 8.161 13.641 14.389 1.00 14.12 H new ATOM 0 HG13 ILE A 103 7.915 13.374 12.675 1.00 14.12 H new ATOM 0 HG21 ILE A 103 5.544 15.233 14.885 1.00 62.42 H new ATOM 0 HG22 ILE A 103 4.480 13.841 15.197 1.00 62.42 H new ATOM 0 HG23 ILE A 103 6.103 13.902 15.926 1.00 62.42 H new ATOM 0 HD11 ILE A 103 8.698 15.654 13.103 1.00 62.43 H new ATOM 0 HD12 ILE A 103 7.052 15.677 12.426 1.00 62.43 H new ATOM 0 HD13 ILE A 103 7.302 15.948 14.167 1.00 62.43 H new ATOM 1617 N VAL A 104 4.417 10.711 15.388 1.00 15.23 N ATOM 1618 CA VAL A 104 3.087 10.213 15.750 1.00 44.24 C ATOM 1619 C VAL A 104 2.102 11.371 16.005 1.00 64.53 C ATOM 1620 O VAL A 104 2.471 12.388 16.597 1.00 64.54 O ATOM 1621 CB VAL A 104 3.149 9.292 16.997 1.00 21.21 C ATOM 1622 CG1 VAL A 104 3.967 8.035 16.702 1.00 21.24 C ATOM 1623 CG2 VAL A 104 3.723 10.037 18.203 1.00 3.35 C ATOM 0 H VAL A 104 5.157 10.446 16.038 1.00 15.23 H new ATOM 0 HA VAL A 104 2.725 9.630 14.903 1.00 44.24 H new ATOM 0 HB VAL A 104 2.130 8.990 17.241 1.00 21.21 H new ATOM 0 HG11 VAL A 104 3.997 7.404 17.590 1.00 21.24 H new ATOM 0 HG12 VAL A 104 3.506 7.485 15.882 1.00 21.24 H new ATOM 0 HG13 VAL A 104 4.982 8.318 16.424 1.00 21.24 H new ATOM 0 HG21 VAL A 104 3.755 9.368 19.063 1.00 3.35 H new ATOM 0 HG22 VAL A 104 4.732 10.380 17.972 1.00 3.35 H new ATOM 0 HG23 VAL A 104 3.092 10.895 18.435 1.00 3.35 H new ATOM 1633 N PRO A 105 0.841 11.239 15.551 1.00 63.52 N ATOM 1634 CA PRO A 105 -0.168 12.309 15.684 1.00 72.11 C ATOM 1635 C PRO A 105 -0.508 12.640 17.149 1.00 64.44 C ATOM 1636 O PRO A 105 -0.538 11.754 18.008 1.00 2.31 O ATOM 1637 CB PRO A 105 -1.395 11.733 14.953 1.00 40.34 C ATOM 1638 CG PRO A 105 -1.195 10.255 14.974 1.00 55.32 C ATOM 1639 CD PRO A 105 0.291 10.046 14.880 1.00 63.53 C ATOM 0 HA PRO A 105 0.189 13.253 15.271 1.00 72.11 H new ATOM 0 HB2 PRO A 105 -2.321 12.014 15.454 1.00 40.34 H new ATOM 0 HB3 PRO A 105 -1.459 12.109 13.932 1.00 40.34 H new ATOM 0 HG2 PRO A 105 -1.595 9.818 15.889 1.00 55.32 H new ATOM 0 HG3 PRO A 105 -1.711 9.778 14.141 1.00 55.32 H new ATOM 0 HD2 PRO A 105 0.601 9.126 15.376 1.00 63.53 H new ATOM 0 HD3 PRO A 105 0.623 9.977 13.844 1.00 63.53 H new ATOM 1647 N ASN A 106 -0.789 13.916 17.422 1.00 11.31 N ATOM 1648 CA ASN A 106 -1.090 14.373 18.787 1.00 64.54 C ATOM 1649 C ASN A 106 -2.577 14.180 19.143 1.00 31.13 C ATOM 1650 O ASN A 106 -3.070 14.749 20.122 1.00 4.25 O ATOM 1651 CB ASN A 106 -0.692 15.846 18.960 1.00 51.02 C ATOM 1652 CG ASN A 106 -1.334 16.755 17.927 1.00 53.41 C ATOM 1653 OD1 ASN A 106 -2.450 17.237 18.107 1.00 74.31 O ATOM 1654 ND2 ASN A 106 -0.634 17.010 16.844 1.00 31.54 N ATOM 0 H ASN A 106 -0.815 14.654 16.718 1.00 11.31 H new ATOM 0 HA ASN A 106 -0.503 13.760 19.471 1.00 64.54 H new ATOM 0 HB2 ASN A 106 -0.977 16.180 19.958 1.00 51.02 H new ATOM 0 HB3 ASN A 106 0.392 15.935 18.892 1.00 51.02 H new ATOM 0 HD21 ASN A 106 -1.015 17.624 16.124 1.00 31.54 H new ATOM 0 HD22 ASN A 106 0.290 16.594 16.724 1.00 31.54 H new ATOM 1661 N LEU A 107 -3.281 13.371 18.352 1.00 32.14 N ATOM 1662 CA LEU A 107 -4.696 13.062 18.605 1.00 41.31 C ATOM 1663 C LEU A 107 -4.887 12.367 19.964 1.00 51.21 C ATOM 1664 O LEU A 107 -4.097 11.501 20.351 1.00 12.31 O ATOM 1665 CB LEU A 107 -5.269 12.178 17.480 1.00 23.35 C ATOM 1666 CG LEU A 107 -5.662 12.907 16.178 1.00 53.24 C ATOM 1667 CD1 LEU A 107 -4.468 13.627 15.559 1.00 0.40 C ATOM 1668 CD2 LEU A 107 -6.278 11.924 15.179 1.00 24.31 C ATOM 0 H LEU A 107 -2.896 12.914 17.526 1.00 32.14 H new ATOM 0 HA LEU A 107 -5.237 14.008 18.627 1.00 41.31 H new ATOM 0 HB2 LEU A 107 -4.532 11.413 17.236 1.00 23.35 H new ATOM 0 HB3 LEU A 107 -6.149 11.662 17.864 1.00 23.35 H new ATOM 0 HG LEU A 107 -6.407 13.661 16.430 1.00 53.24 H new ATOM 0 HD11 LEU A 107 -4.781 14.130 14.644 1.00 0.40 H new ATOM 0 HD12 LEU A 107 -4.082 14.364 16.264 1.00 0.40 H new ATOM 0 HD13 LEU A 107 -3.687 12.903 15.327 1.00 0.40 H new ATOM 0 HD21 LEU A 107 -6.549 12.455 14.266 1.00 24.31 H new ATOM 0 HD22 LEU A 107 -5.555 11.144 14.943 1.00 24.31 H new ATOM 0 HD23 LEU A 107 -7.169 11.473 15.615 1.00 24.31 H new ATOM 1680 N GLU A 108 -5.939 12.754 20.684 1.00 13.54 N ATOM 1681 CA GLU A 108 -6.244 12.166 21.992 1.00 31.52 C ATOM 1682 C GLU A 108 -6.708 10.709 21.848 1.00 14.01 C ATOM 1683 O GLU A 108 -7.705 10.427 21.180 1.00 2.13 O ATOM 1684 CB GLU A 108 -7.326 12.992 22.707 1.00 43.41 C ATOM 1685 CG GLU A 108 -6.929 14.443 22.965 1.00 72.32 C ATOM 1686 CD GLU A 108 -7.992 15.220 23.729 1.00 72.42 C ATOM 1687 OE1 GLU A 108 -7.957 15.217 24.981 1.00 0.20 O ATOM 1688 OE2 GLU A 108 -8.868 15.839 23.086 1.00 3.42 O ATOM 0 H GLU A 108 -6.597 13.474 20.385 1.00 13.54 H new ATOM 0 HA GLU A 108 -5.331 12.178 22.588 1.00 31.52 H new ATOM 0 HB2 GLU A 108 -8.236 12.976 22.108 1.00 43.41 H new ATOM 0 HB3 GLU A 108 -7.563 12.516 23.659 1.00 43.41 H new ATOM 0 HG2 GLU A 108 -5.996 14.465 23.527 1.00 72.32 H new ATOM 0 HG3 GLU A 108 -6.739 14.937 22.012 1.00 72.32 H new ATOM 1695 N HIS A 109 -5.975 9.785 22.465 1.00 55.54 N ATOM 1696 CA HIS A 109 -6.329 8.362 22.432 1.00 64.31 C ATOM 1697 C HIS A 109 -7.701 8.119 23.085 1.00 32.43 C ATOM 1698 O HIS A 109 -7.935 8.483 24.238 1.00 71.55 O ATOM 1699 CB HIS A 109 -5.239 7.531 23.115 1.00 71.33 C ATOM 1700 CG HIS A 109 -3.941 7.535 22.361 1.00 42.45 C ATOM 1701 ND1 HIS A 109 -2.901 8.390 22.647 1.00 60.01 N ATOM 1702 CD2 HIS A 109 -3.522 6.786 21.310 1.00 3.34 C ATOM 1703 CE1 HIS A 109 -1.908 8.174 21.811 1.00 40.24 C ATOM 1704 NE2 HIS A 109 -2.255 7.207 20.990 1.00 5.45 N ATOM 0 H HIS A 109 -5.130 9.994 22.996 1.00 55.54 H new ATOM 0 HA HIS A 109 -6.401 8.048 21.391 1.00 64.31 H new ATOM 0 HB2 HIS A 109 -5.071 7.918 24.120 1.00 71.33 H new ATOM 0 HB3 HIS A 109 -5.587 6.504 23.223 1.00 71.33 H new ATOM 0 HD2 HIS A 109 -4.081 6.004 20.817 1.00 3.34 H new ATOM 0 HE1 HIS A 109 -0.966 8.702 21.801 1.00 40.24 H new ATOM 0 HE2 HIS A 109 -1.677 6.831 20.238 1.00 5.45 H new ATOM 1713 N HIS A 110 -8.593 7.469 22.342 1.00 33.41 N ATOM 1714 CA HIS A 110 -10.005 7.373 22.726 1.00 1.24 C ATOM 1715 C HIS A 110 -10.277 6.291 23.791 1.00 45.42 C ATOM 1716 O HIS A 110 -11.428 5.924 24.025 1.00 14.11 O ATOM 1717 CB HIS A 110 -10.865 7.127 21.480 1.00 50.55 C ATOM 1718 CG HIS A 110 -10.765 8.232 20.475 1.00 14.31 C ATOM 1719 ND1 HIS A 110 -11.453 9.420 20.589 1.00 22.31 N ATOM 1720 CD2 HIS A 110 -10.029 8.339 19.341 1.00 74.33 C ATOM 1721 CE1 HIS A 110 -11.151 10.204 19.574 1.00 62.32 C ATOM 1722 NE2 HIS A 110 -10.288 9.576 18.804 1.00 60.33 N ATOM 0 H HIS A 110 -8.365 6.998 21.466 1.00 33.41 H new ATOM 0 HA HIS A 110 -10.275 8.324 23.184 1.00 1.24 H new ATOM 0 HB2 HIS A 110 -10.560 6.190 21.014 1.00 50.55 H new ATOM 0 HB3 HIS A 110 -11.906 7.010 21.781 1.00 50.55 H new ATOM 0 HD1 HIS A 110 -12.097 9.656 21.343 1.00 22.31 H new ATOM 0 HD2 HIS A 110 -9.363 7.591 18.936 1.00 74.33 H new ATOM 0 HE1 HIS A 110 -11.545 11.195 19.403 1.00 62.32 H new ATOM 1731 N HIS A 111 -9.225 5.795 24.444 1.00 73.21 N ATOM 1732 CA HIS A 111 -9.392 4.853 25.557 1.00 13.43 C ATOM 1733 C HIS A 111 -9.590 5.606 26.884 1.00 34.53 C ATOM 1734 O HIS A 111 -10.536 5.343 27.624 1.00 13.32 O ATOM 1735 CB HIS A 111 -8.185 3.913 25.660 1.00 63.15 C ATOM 1736 CG HIS A 111 -8.321 2.880 26.744 1.00 25.23 C ATOM 1737 ND1 HIS A 111 -7.478 2.807 27.834 1.00 70.35 N ATOM 1738 CD2 HIS A 111 -9.219 1.881 26.905 1.00 15.25 C ATOM 1739 CE1 HIS A 111 -7.851 1.811 28.612 1.00 70.32 C ATOM 1740 NE2 HIS A 111 -8.904 1.234 28.075 1.00 51.22 N ATOM 0 H HIS A 111 -8.256 6.026 24.226 1.00 73.21 H new ATOM 0 HA HIS A 111 -10.282 4.256 25.360 1.00 13.43 H new ATOM 0 HB2 HIS A 111 -8.044 3.409 24.704 1.00 63.15 H new ATOM 0 HB3 HIS A 111 -7.288 4.505 25.843 1.00 63.15 H new ATOM 0 HD2 HIS A 111 -10.032 1.637 26.238 1.00 15.25 H new ATOM 0 HE1 HIS A 111 -7.373 1.518 29.535 1.00 70.32 H new ATOM 0 HE2 HIS A 111 -9.405 0.436 28.464 1.00 51.22 H new ATOM 1749 N HIS A 112 -8.691 6.543 27.180 1.00 23.33 N ATOM 1750 CA HIS A 112 -8.782 7.344 28.410 1.00 20.24 C ATOM 1751 C HIS A 112 -9.461 8.700 28.139 1.00 41.43 C ATOM 1752 O HIS A 112 -9.544 9.554 29.020 1.00 14.11 O ATOM 1753 CB HIS A 112 -7.379 7.552 29.003 1.00 72.11 C ATOM 1754 CG HIS A 112 -7.380 7.977 30.442 1.00 52.41 C ATOM 1755 ND1 HIS A 112 -7.353 9.293 30.846 1.00 71.12 N ATOM 1756 CD2 HIS A 112 -7.403 7.242 31.581 1.00 65.10 C ATOM 1757 CE1 HIS A 112 -7.360 9.351 32.162 1.00 63.11 C ATOM 1758 NE2 HIS A 112 -7.390 8.122 32.635 1.00 13.44 N ATOM 0 H HIS A 112 -7.891 6.770 26.589 1.00 23.33 H new ATOM 0 HA HIS A 112 -9.396 6.803 29.130 1.00 20.24 H new ATOM 0 HB2 HIS A 112 -6.815 6.624 28.910 1.00 72.11 H new ATOM 0 HB3 HIS A 112 -6.855 8.304 28.413 1.00 72.11 H new ATOM 0 HD2 HIS A 112 -7.427 6.164 31.647 1.00 65.10 H new ATOM 0 HE1 HIS A 112 -7.344 10.254 32.754 1.00 63.11 H new ATOM 0 HE2 HIS A 112 -7.402 7.866 33.622 1.00 13.44 H new ATOM 1767 N HIS A 113 -9.936 8.884 26.907 1.00 35.43 N ATOM 1768 CA HIS A 113 -10.650 10.103 26.505 1.00 53.00 C ATOM 1769 C HIS A 113 -11.572 9.808 25.308 1.00 3.53 C ATOM 1770 O HIS A 113 -11.145 9.866 24.156 1.00 12.12 O ATOM 1771 CB HIS A 113 -9.647 11.212 26.148 1.00 12.31 C ATOM 1772 CG HIS A 113 -10.283 12.520 25.790 1.00 72.33 C ATOM 1773 ND1 HIS A 113 -10.745 12.811 24.527 1.00 3.00 N ATOM 1774 CD2 HIS A 113 -10.528 13.624 26.537 1.00 2.23 C ATOM 1775 CE1 HIS A 113 -11.245 14.028 24.511 1.00 63.25 C ATOM 1776 NE2 HIS A 113 -11.126 14.546 25.715 1.00 61.45 N ATOM 0 H HIS A 113 -9.839 8.197 26.160 1.00 35.43 H new ATOM 0 HA HIS A 113 -11.262 10.444 27.340 1.00 53.00 H new ATOM 0 HB2 HIS A 113 -8.976 11.366 26.993 1.00 12.31 H new ATOM 0 HB3 HIS A 113 -9.034 10.877 25.311 1.00 12.31 H new ATOM 0 HD2 HIS A 113 -10.296 13.754 27.584 1.00 2.23 H new ATOM 0 HE1 HIS A 113 -11.680 14.520 23.653 1.00 63.25 H new ATOM 0 HE2 HIS A 113 -11.429 15.480 25.992 1.00 61.45 H new ATOM 1785 N HIS A 114 -12.833 9.490 25.589 1.00 64.43 N ATOM 1786 CA HIS A 114 -13.778 9.051 24.547 1.00 22.43 C ATOM 1787 C HIS A 114 -14.166 10.197 23.583 1.00 42.43 C ATOM 1788 O HIS A 114 -13.628 10.236 22.451 1.00 37.84 O ATOM 1789 CB HIS A 114 -15.030 8.444 25.198 1.00 71.20 C ATOM 1790 CG HIS A 114 -15.947 7.757 24.228 1.00 52.01 C ATOM 1791 ND1 HIS A 114 -17.318 7.904 24.247 1.00 41.41 N ATOM 1792 CD2 HIS A 114 -15.684 6.896 23.213 1.00 12.12 C ATOM 1793 CE1 HIS A 114 -17.854 7.169 23.292 1.00 31.05 C ATOM 1794 NE2 HIS A 114 -16.886 6.548 22.652 1.00 44.22 N ATOM 1795 OXT HIS A 114 -15.001 11.052 23.960 1.00 37.84 O ATOM 0 H HIS A 114 -13.231 9.526 26.527 1.00 64.43 H new ATOM 0 HA HIS A 114 -13.277 8.291 23.947 1.00 22.43 H new ATOM 0 HB2 HIS A 114 -14.721 7.728 25.960 1.00 71.20 H new ATOM 0 HB3 HIS A 114 -15.582 9.234 25.708 1.00 71.20 H new ATOM 0 HD2 HIS A 114 -14.709 6.549 22.904 1.00 12.12 H new ATOM 0 HE1 HIS A 114 -18.908 7.090 23.072 1.00 31.05 H new ATOM 0 HE2 HIS A 114 -17.010 5.911 21.865 1.00 44.22 H new TER 1804 HIS A 114