USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -116:sc= 0.0629 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.034) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 141:sc= -1.39 (180deg=-3.48!) USER MOD Single : A 5 ASN : amide:sc= 0.175 K(o=0.17,f=-3.7!) USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= 0.145 (180deg=-0.424) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -59:sc= 0.717 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 CYS SG : rot 86:sc= 0.492 USER MOD Single : A 30 GLN : amide:sc= -0.0655 X(o=-0.066,f=-0.066) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc=-0.00257 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 164:sc= 0.17 USER MOD Single : A 41 TYR OH : rot -168:sc= 0.411 USER MOD Single : A 45 LYS NZ :NH3+ 156:sc= 0.228 (180deg=0.0405) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.277 K(o=-0.28,f=-3.4!) USER MOD Single : A 52 GLN : amide:sc= -0.32 K(o=-0.32,f=-1.1) USER MOD Single : A 54 SER OG : rot -30:sc= 0.735 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 59 GLN : amide:sc= -0.696 K(o=-0.7,f=-6.8!) USER MOD Single : A 61 MET CE :methyl -174:sc= -0.176 (180deg=-0.29) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0094) USER MOD Single : A 67 SER OG : rot -41:sc= 0.624 USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00801) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 20.524 -14.359 0.464 1.00 33.01 N ATOM 2 CA SER A 1 21.092 -12.980 0.504 1.00 11.14 C ATOM 3 C SER A 1 20.447 -12.071 -0.567 1.00 2.45 C ATOM 4 O SER A 1 19.791 -12.554 -1.495 1.00 25.14 O ATOM 5 CB SER A 1 22.629 -13.028 0.317 1.00 51.44 C ATOM 6 OG SER A 1 22.993 -13.626 -0.922 1.00 3.15 O ATOM 0 H1 SER A 1 20.028 -14.556 1.356 1.00 33.01 H new ATOM 0 H2 SER A 1 19.855 -14.436 -0.329 1.00 33.01 H new ATOM 0 H3 SER A 1 21.293 -15.048 0.336 1.00 33.01 H new ATOM 0 HA SER A 1 20.866 -12.553 1.481 1.00 11.14 H new ATOM 0 HB2 SER A 1 23.033 -12.017 0.365 1.00 51.44 H new ATOM 0 HB3 SER A 1 23.077 -13.589 1.137 1.00 51.44 H new ATOM 0 HG SER A 1 23.969 -13.637 -1.005 1.00 3.15 H new ATOM 14 N HIS A 2 20.637 -10.742 -0.414 1.00 53.20 N ATOM 15 CA HIS A 2 20.138 -9.723 -1.368 1.00 55.13 C ATOM 16 C HIS A 2 21.005 -8.437 -1.293 1.00 33.30 C ATOM 17 O HIS A 2 21.587 -8.135 -0.243 1.00 22.41 O ATOM 18 CB HIS A 2 18.644 -9.397 -1.072 1.00 31.25 C ATOM 19 CG HIS A 2 18.001 -8.445 -2.049 1.00 53.20 C ATOM 20 ND1 HIS A 2 17.973 -8.680 -3.405 1.00 12.24 N ATOM 21 CD2 HIS A 2 17.405 -7.240 -1.872 1.00 22.42 C ATOM 22 CE1 HIS A 2 17.393 -7.679 -4.014 1.00 71.42 C ATOM 23 NE2 HIS A 2 17.034 -6.788 -3.113 1.00 13.44 N ATOM 0 H HIS A 2 21.142 -10.343 0.377 1.00 53.20 H new ATOM 0 HA HIS A 2 20.212 -10.124 -2.379 1.00 55.13 H new ATOM 0 HB2 HIS A 2 18.077 -10.328 -1.066 1.00 31.25 H new ATOM 0 HB3 HIS A 2 18.570 -8.973 -0.071 1.00 31.25 H new ATOM 0 HD2 HIS A 2 17.251 -6.732 -0.931 1.00 22.42 H new ATOM 0 HE1 HIS A 2 17.235 -7.596 -5.079 1.00 71.42 H new ATOM 0 HE2 HIS A 2 16.558 -5.907 -3.306 1.00 13.44 H new ATOM 32 N MET A 3 21.078 -7.683 -2.412 1.00 21.30 N ATOM 33 CA MET A 3 21.837 -6.412 -2.482 1.00 13.42 C ATOM 34 C MET A 3 21.113 -5.259 -1.737 1.00 51.41 C ATOM 35 O MET A 3 19.892 -5.280 -1.552 1.00 21.55 O ATOM 36 CB MET A 3 22.123 -6.032 -3.957 1.00 31.14 C ATOM 37 CG MET A 3 23.085 -7.002 -4.660 1.00 10.43 C ATOM 38 SD MET A 3 24.664 -7.136 -3.780 1.00 63.04 S ATOM 39 CE MET A 3 25.543 -8.357 -4.759 1.00 62.10 C ATOM 0 H MET A 3 20.617 -7.935 -3.286 1.00 21.30 H new ATOM 0 HA MET A 3 22.788 -6.568 -1.973 1.00 13.42 H new ATOM 0 HB2 MET A 3 21.182 -6.003 -4.506 1.00 31.14 H new ATOM 0 HB3 MET A 3 22.543 -5.027 -3.991 1.00 31.14 H new ATOM 0 HG2 MET A 3 22.623 -7.987 -4.730 1.00 10.43 H new ATOM 0 HG3 MET A 3 23.264 -6.661 -5.680 1.00 10.43 H new ATOM 0 HE1 MET A 3 26.528 -8.531 -4.325 1.00 62.10 H new ATOM 0 HE2 MET A 3 24.980 -9.291 -4.767 1.00 62.10 H new ATOM 0 HE3 MET A 3 25.655 -7.992 -5.780 1.00 62.10 H new ATOM 49 N LYS A 4 21.901 -4.251 -1.336 1.00 15.32 N ATOM 50 CA LYS A 4 21.468 -3.173 -0.420 1.00 42.34 C ATOM 51 C LYS A 4 20.756 -2.003 -1.151 1.00 22.40 C ATOM 52 O LYS A 4 21.055 -1.704 -2.315 1.00 53.41 O ATOM 53 CB LYS A 4 22.723 -2.669 0.341 1.00 51.42 C ATOM 54 CG LYS A 4 22.467 -1.608 1.432 1.00 55.01 C ATOM 55 CD LYS A 4 23.726 -1.283 2.284 1.00 72.43 C ATOM 56 CE LYS A 4 24.145 -2.422 3.249 1.00 13.15 C ATOM 57 NZ LYS A 4 24.729 -3.618 2.567 1.00 34.14 N ATOM 0 H LYS A 4 22.870 -4.156 -1.640 1.00 15.32 H new ATOM 0 HA LYS A 4 20.727 -3.576 0.271 1.00 42.34 H new ATOM 0 HB2 LYS A 4 23.213 -3.526 0.803 1.00 51.42 H new ATOM 0 HB3 LYS A 4 23.423 -2.255 -0.385 1.00 51.42 H new ATOM 0 HG2 LYS A 4 22.110 -0.692 0.961 1.00 55.01 H new ATOM 0 HG3 LYS A 4 21.672 -1.959 2.090 1.00 55.01 H new ATOM 0 HD2 LYS A 4 24.558 -1.063 1.615 1.00 72.43 H new ATOM 0 HD3 LYS A 4 23.536 -0.380 2.864 1.00 72.43 H new ATOM 0 HE2 LYS A 4 24.873 -2.031 3.960 1.00 13.15 H new ATOM 0 HE3 LYS A 4 23.274 -2.735 3.824 1.00 13.15 H new ATOM 0 HZ1 LYS A 4 25.520 -3.988 3.132 1.00 34.14 H new ATOM 0 HZ2 LYS A 4 23.999 -4.353 2.470 1.00 34.14 H new ATOM 0 HZ3 LYS A 4 25.074 -3.346 1.625 1.00 34.14 H new ATOM 71 N ASN A 5 19.811 -1.352 -0.443 1.00 35.40 N ATOM 72 CA ASN A 5 19.113 -0.143 -0.937 1.00 20.45 C ATOM 73 C ASN A 5 19.993 1.121 -0.755 1.00 60.13 C ATOM 74 O ASN A 5 20.727 1.257 0.232 1.00 22.42 O ATOM 75 CB ASN A 5 17.747 0.042 -0.217 1.00 53.12 C ATOM 76 CG ASN A 5 17.846 0.235 1.308 1.00 21.22 C ATOM 77 OD1 ASN A 5 18.686 -0.354 1.979 1.00 14.21 O ATOM 78 ND2 ASN A 5 16.997 1.076 1.869 1.00 42.10 N ATOM 0 H ASN A 5 19.509 -1.647 0.486 1.00 35.40 H new ATOM 0 HA ASN A 5 18.926 -0.280 -2.002 1.00 20.45 H new ATOM 0 HB2 ASN A 5 17.239 0.905 -0.647 1.00 53.12 H new ATOM 0 HB3 ASN A 5 17.124 -0.829 -0.420 1.00 53.12 H new ATOM 0 HD21 ASN A 5 17.034 1.243 2.874 1.00 42.10 H new ATOM 0 HD22 ASN A 5 16.304 1.558 1.297 1.00 42.10 H new ATOM 85 N VAL A 6 19.912 2.039 -1.729 1.00 74.41 N ATOM 86 CA VAL A 6 20.624 3.336 -1.681 1.00 42.44 C ATOM 87 C VAL A 6 19.688 4.451 -1.156 1.00 54.50 C ATOM 88 O VAL A 6 18.575 4.637 -1.672 1.00 22.15 O ATOM 89 CB VAL A 6 21.204 3.709 -3.101 1.00 25.53 C ATOM 90 CG1 VAL A 6 21.818 5.134 -3.135 1.00 52.41 C ATOM 91 CG2 VAL A 6 22.248 2.654 -3.553 1.00 3.54 C ATOM 0 H VAL A 6 19.354 1.909 -2.573 1.00 74.41 H new ATOM 0 HA VAL A 6 21.462 3.242 -0.990 1.00 42.44 H new ATOM 0 HB VAL A 6 20.368 3.707 -3.800 1.00 25.53 H new ATOM 0 HG11 VAL A 6 22.202 5.341 -4.134 1.00 52.41 H new ATOM 0 HG12 VAL A 6 21.051 5.867 -2.882 1.00 52.41 H new ATOM 0 HG13 VAL A 6 22.632 5.197 -2.413 1.00 52.41 H new ATOM 0 HG21 VAL A 6 22.638 2.925 -4.534 1.00 3.54 H new ATOM 0 HG22 VAL A 6 23.066 2.620 -2.833 1.00 3.54 H new ATOM 0 HG23 VAL A 6 21.774 1.674 -3.610 1.00 3.54 H new ATOM 101 N ILE A 7 20.142 5.173 -0.112 1.00 4.43 N ATOM 102 CA ILE A 7 19.424 6.338 0.445 1.00 41.01 C ATOM 103 C ILE A 7 19.537 7.522 -0.554 1.00 12.34 C ATOM 104 O ILE A 7 20.618 8.097 -0.736 1.00 11.13 O ATOM 105 CB ILE A 7 19.964 6.733 1.893 1.00 21.30 C ATOM 106 CG1 ILE A 7 19.506 5.696 2.989 1.00 34.43 C ATOM 107 CG2 ILE A 7 19.535 8.172 2.310 1.00 32.00 C ATOM 108 CD1 ILE A 7 20.004 4.263 2.821 1.00 3.51 C ATOM 0 H ILE A 7 21.017 4.965 0.369 1.00 4.43 H new ATOM 0 HA ILE A 7 18.373 6.079 0.577 1.00 41.01 H new ATOM 0 HB ILE A 7 21.052 6.711 1.827 1.00 21.30 H new ATOM 0 HG12 ILE A 7 19.836 6.060 3.962 1.00 34.43 H new ATOM 0 HG13 ILE A 7 18.416 5.678 3.008 1.00 34.43 H new ATOM 0 HG21 ILE A 7 19.926 8.395 3.303 1.00 32.00 H new ATOM 0 HG22 ILE A 7 19.931 8.892 1.594 1.00 32.00 H new ATOM 0 HG23 ILE A 7 18.447 8.237 2.326 1.00 32.00 H new ATOM 0 HD11 ILE A 7 19.622 3.647 3.635 1.00 3.51 H new ATOM 0 HD12 ILE A 7 19.652 3.865 1.869 1.00 3.51 H new ATOM 0 HD13 ILE A 7 21.094 4.252 2.838 1.00 3.51 H new ATOM 120 N LYS A 8 18.415 7.822 -1.237 1.00 50.41 N ATOM 121 CA LYS A 8 18.347 8.862 -2.288 1.00 63.00 C ATOM 122 C LYS A 8 18.523 10.284 -1.675 1.00 43.13 C ATOM 123 O LYS A 8 19.285 11.102 -2.212 1.00 4.44 O ATOM 124 CB LYS A 8 16.995 8.694 -3.073 1.00 31.01 C ATOM 125 CG LYS A 8 16.838 9.504 -4.404 1.00 72.44 C ATOM 126 CD LYS A 8 16.372 10.961 -4.188 1.00 15.11 C ATOM 127 CE LYS A 8 16.227 11.775 -5.487 1.00 74.24 C ATOM 128 NZ LYS A 8 15.815 13.187 -5.211 1.00 2.23 N ATOM 0 H LYS A 8 17.526 7.349 -1.076 1.00 50.41 H new ATOM 0 HA LYS A 8 19.168 8.741 -2.995 1.00 63.00 H new ATOM 0 HB2 LYS A 8 16.867 7.636 -3.303 1.00 31.01 H new ATOM 0 HB3 LYS A 8 16.180 8.976 -2.407 1.00 31.01 H new ATOM 0 HG2 LYS A 8 17.792 9.511 -4.931 1.00 72.44 H new ATOM 0 HG3 LYS A 8 16.122 8.994 -5.048 1.00 72.44 H new ATOM 0 HD2 LYS A 8 15.413 10.951 -3.669 1.00 15.11 H new ATOM 0 HD3 LYS A 8 17.083 11.465 -3.534 1.00 15.11 H new ATOM 0 HE2 LYS A 8 17.174 11.771 -6.027 1.00 74.24 H new ATOM 0 HE3 LYS A 8 15.489 11.300 -6.134 1.00 74.24 H new ATOM 0 HZ1 LYS A 8 15.420 13.609 -6.076 1.00 2.23 H new ATOM 0 HZ2 LYS A 8 15.095 13.198 -4.460 1.00 2.23 H new ATOM 0 HZ3 LYS A 8 16.643 13.737 -4.905 1.00 2.23 H new ATOM 142 N LYS A 9 17.813 10.544 -0.540 1.00 32.41 N ATOM 143 CA LYS A 9 17.817 11.857 0.190 1.00 44.25 C ATOM 144 C LYS A 9 17.220 13.014 -0.687 1.00 52.35 C ATOM 145 O LYS A 9 17.008 12.832 -1.879 1.00 22.33 O ATOM 146 CB LYS A 9 19.266 12.194 0.697 1.00 41.33 C ATOM 147 CG LYS A 9 19.375 13.389 1.677 1.00 64.31 C ATOM 148 CD LYS A 9 20.827 13.857 1.932 1.00 64.33 C ATOM 149 CE LYS A 9 21.704 12.816 2.649 1.00 41.31 C ATOM 150 NZ LYS A 9 23.093 13.317 2.850 1.00 42.34 N ATOM 0 H LYS A 9 17.215 9.846 -0.098 1.00 32.41 H new ATOM 0 HA LYS A 9 17.167 11.764 1.060 1.00 44.25 H new ATOM 0 HB2 LYS A 9 19.675 11.309 1.185 1.00 41.33 H new ATOM 0 HB3 LYS A 9 19.895 12.400 -0.169 1.00 41.33 H new ATOM 0 HG2 LYS A 9 18.798 14.225 1.282 1.00 64.31 H new ATOM 0 HG3 LYS A 9 18.921 13.110 2.628 1.00 64.31 H new ATOM 0 HD2 LYS A 9 21.289 14.110 0.978 1.00 64.33 H new ATOM 0 HD3 LYS A 9 20.804 14.770 2.528 1.00 64.33 H new ATOM 0 HE2 LYS A 9 21.262 12.569 3.614 1.00 41.31 H new ATOM 0 HE3 LYS A 9 21.729 11.896 2.065 1.00 41.31 H new ATOM 0 HZ1 LYS A 9 23.657 12.591 3.336 1.00 42.34 H new ATOM 0 HZ2 LYS A 9 23.523 13.529 1.927 1.00 42.34 H new ATOM 0 HZ3 LYS A 9 23.070 14.181 3.428 1.00 42.34 H new ATOM 164 N LYS A 10 16.929 14.191 -0.078 1.00 72.23 N ATOM 165 CA LYS A 10 16.475 15.419 -0.799 1.00 63.42 C ATOM 166 C LYS A 10 15.047 15.240 -1.403 1.00 72.40 C ATOM 167 O LYS A 10 14.857 14.498 -2.378 1.00 3.22 O ATOM 168 CB LYS A 10 17.508 15.833 -1.900 1.00 32.10 C ATOM 169 CG LYS A 10 18.949 16.089 -1.373 1.00 54.32 C ATOM 170 CD LYS A 10 20.020 16.049 -2.496 1.00 13.43 C ATOM 171 CE LYS A 10 20.176 14.641 -3.113 1.00 21.21 C ATOM 172 NZ LYS A 10 21.082 14.632 -4.295 1.00 41.13 N ATOM 0 H LYS A 10 17.001 14.321 0.931 1.00 72.23 H new ATOM 0 HA LYS A 10 16.417 16.226 -0.069 1.00 63.42 H new ATOM 0 HB2 LYS A 10 17.546 15.050 -2.657 1.00 32.10 H new ATOM 0 HB3 LYS A 10 17.150 16.736 -2.394 1.00 32.10 H new ATOM 0 HG2 LYS A 10 18.983 17.061 -0.880 1.00 54.32 H new ATOM 0 HG3 LYS A 10 19.193 15.341 -0.619 1.00 54.32 H new ATOM 0 HD2 LYS A 10 19.748 16.757 -3.279 1.00 13.43 H new ATOM 0 HD3 LYS A 10 20.979 16.373 -2.091 1.00 13.43 H new ATOM 0 HE2 LYS A 10 20.564 13.958 -2.357 1.00 21.21 H new ATOM 0 HE3 LYS A 10 19.196 14.267 -3.408 1.00 21.21 H new ATOM 0 HZ1 LYS A 10 21.152 13.665 -4.671 1.00 41.13 H new ATOM 0 HZ2 LYS A 10 20.701 15.262 -5.029 1.00 41.13 H new ATOM 0 HZ3 LYS A 10 22.026 14.963 -4.011 1.00 41.13 H new ATOM 186 N GLY A 11 14.055 15.934 -0.806 1.00 34.31 N ATOM 187 CA GLY A 11 12.630 15.754 -1.141 1.00 34.35 C ATOM 188 C GLY A 11 12.255 16.106 -2.588 1.00 53.13 C ATOM 189 O GLY A 11 12.134 17.287 -2.936 1.00 11.12 O ATOM 0 H GLY A 11 14.220 16.632 -0.081 1.00 34.31 H new ATOM 0 HA2 GLY A 11 12.356 14.716 -0.953 1.00 34.35 H new ATOM 0 HA3 GLY A 11 12.033 16.368 -0.467 1.00 34.35 H new ATOM 193 N GLU A 12 12.080 15.070 -3.428 1.00 52.53 N ATOM 194 CA GLU A 12 11.712 15.221 -4.855 1.00 50.12 C ATOM 195 C GLU A 12 10.206 14.935 -5.059 1.00 52.12 C ATOM 196 O GLU A 12 9.583 14.243 -4.245 1.00 53.02 O ATOM 197 CB GLU A 12 12.586 14.266 -5.715 1.00 75.34 C ATOM 198 CG GLU A 12 12.500 14.500 -7.241 1.00 3.31 C ATOM 199 CD GLU A 12 13.575 13.736 -8.029 1.00 60.55 C ATOM 200 OE1 GLU A 12 14.775 14.061 -7.863 1.00 63.34 O ATOM 201 OE2 GLU A 12 13.243 12.822 -8.812 1.00 31.00 O ATOM 0 H GLU A 12 12.189 14.098 -3.138 1.00 52.53 H new ATOM 0 HA GLU A 12 11.898 16.247 -5.172 1.00 50.12 H new ATOM 0 HB2 GLU A 12 13.626 14.370 -5.404 1.00 75.34 H new ATOM 0 HB3 GLU A 12 12.292 13.238 -5.503 1.00 75.34 H new ATOM 0 HG2 GLU A 12 11.515 14.196 -7.594 1.00 3.31 H new ATOM 0 HG3 GLU A 12 12.597 15.566 -7.445 1.00 3.31 H new ATOM 208 N ILE A 13 9.631 15.441 -6.170 1.00 44.20 N ATOM 209 CA ILE A 13 8.172 15.346 -6.451 1.00 65.23 C ATOM 210 C ILE A 13 7.848 13.987 -7.147 1.00 72.04 C ATOM 211 O ILE A 13 7.365 13.916 -8.283 1.00 52.33 O ATOM 212 CB ILE A 13 7.634 16.567 -7.308 1.00 13.23 C ATOM 213 CG1 ILE A 13 8.158 17.962 -6.780 1.00 62.40 C ATOM 214 CG2 ILE A 13 6.077 16.573 -7.371 1.00 65.31 C ATOM 215 CD1 ILE A 13 9.578 18.339 -7.195 1.00 31.51 C ATOM 0 H ILE A 13 10.157 15.926 -6.898 1.00 44.20 H new ATOM 0 HA ILE A 13 7.652 15.390 -5.494 1.00 65.23 H new ATOM 0 HB ILE A 13 8.030 16.427 -8.314 1.00 13.23 H new ATOM 0 HG12 ILE A 13 7.479 18.740 -7.130 1.00 62.40 H new ATOM 0 HG13 ILE A 13 8.106 17.960 -5.691 1.00 62.40 H new ATOM 0 HG21 ILE A 13 5.740 17.422 -7.966 1.00 65.31 H new ATOM 0 HG22 ILE A 13 5.728 15.648 -7.829 1.00 65.31 H new ATOM 0 HG23 ILE A 13 5.672 16.653 -6.362 1.00 65.31 H new ATOM 0 HD11 ILE A 13 9.832 19.313 -6.778 1.00 31.51 H new ATOM 0 HD12 ILE A 13 10.277 17.591 -6.822 1.00 31.51 H new ATOM 0 HD13 ILE A 13 9.640 18.383 -8.282 1.00 31.51 H new ATOM 227 N ILE A 14 8.184 12.913 -6.440 1.00 63.41 N ATOM 228 CA ILE A 14 7.953 11.502 -6.852 1.00 23.43 C ATOM 229 C ILE A 14 7.096 10.750 -5.803 1.00 23.32 C ATOM 230 O ILE A 14 6.880 9.535 -5.938 1.00 24.31 O ATOM 231 CB ILE A 14 9.318 10.735 -7.033 1.00 33.12 C ATOM 232 CG1 ILE A 14 10.127 10.718 -5.686 1.00 45.42 C ATOM 233 CG2 ILE A 14 10.151 11.350 -8.184 1.00 40.42 C ATOM 234 CD1 ILE A 14 11.335 9.803 -5.693 1.00 54.15 C ATOM 0 H ILE A 14 8.641 12.986 -5.531 1.00 63.41 H new ATOM 0 HA ILE A 14 7.422 11.529 -7.804 1.00 23.43 H new ATOM 0 HB ILE A 14 9.097 9.702 -7.303 1.00 33.12 H new ATOM 0 HG12 ILE A 14 10.456 11.733 -5.461 1.00 45.42 H new ATOM 0 HG13 ILE A 14 9.460 10.413 -4.880 1.00 45.42 H new ATOM 0 HG21 ILE A 14 11.088 10.803 -8.288 1.00 40.42 H new ATOM 0 HG22 ILE A 14 9.588 11.286 -9.115 1.00 40.42 H new ATOM 0 HG23 ILE A 14 10.365 12.395 -7.960 1.00 40.42 H new ATOM 0 HD11 ILE A 14 11.834 9.852 -4.725 1.00 54.15 H new ATOM 0 HD12 ILE A 14 11.015 8.779 -5.884 1.00 54.15 H new ATOM 0 HD13 ILE A 14 12.026 10.119 -6.475 1.00 54.15 H new ATOM 246 N ILE A 15 6.599 11.505 -4.785 1.00 1.14 N ATOM 247 CA ILE A 15 5.934 10.982 -3.562 1.00 0.44 C ATOM 248 C ILE A 15 6.963 10.252 -2.652 1.00 61.14 C ATOM 249 O ILE A 15 7.483 9.184 -3.007 1.00 32.43 O ATOM 250 CB ILE A 15 4.685 10.049 -3.858 1.00 45.13 C ATOM 251 CG1 ILE A 15 3.746 10.698 -4.929 1.00 2.40 C ATOM 252 CG2 ILE A 15 3.905 9.728 -2.554 1.00 22.23 C ATOM 253 CD1 ILE A 15 3.047 11.981 -4.494 1.00 44.10 C ATOM 0 H ILE A 15 6.652 12.524 -4.795 1.00 1.14 H new ATOM 0 HA ILE A 15 5.537 11.852 -3.039 1.00 0.44 H new ATOM 0 HB ILE A 15 5.058 9.108 -4.262 1.00 45.13 H new ATOM 0 HG12 ILE A 15 4.334 10.909 -5.822 1.00 2.40 H new ATOM 0 HG13 ILE A 15 2.987 9.969 -5.212 1.00 2.40 H new ATOM 0 HG21 ILE A 15 3.055 9.087 -2.787 1.00 22.23 H new ATOM 0 HG22 ILE A 15 4.564 9.216 -1.853 1.00 22.23 H new ATOM 0 HG23 ILE A 15 3.548 10.655 -2.106 1.00 22.23 H new ATOM 0 HD11 ILE A 15 2.422 12.348 -5.308 1.00 44.10 H new ATOM 0 HD12 ILE A 15 2.426 11.779 -3.621 1.00 44.10 H new ATOM 0 HD13 ILE A 15 3.793 12.734 -4.242 1.00 44.10 H new ATOM 265 N LEU A 16 7.256 10.852 -1.477 1.00 73.12 N ATOM 266 CA LEU A 16 8.311 10.379 -0.544 1.00 72.12 C ATOM 267 C LEU A 16 7.827 9.161 0.300 1.00 0.41 C ATOM 268 O LEU A 16 7.579 9.289 1.506 1.00 73.42 O ATOM 269 CB LEU A 16 8.780 11.544 0.398 1.00 10.51 C ATOM 270 CG LEU A 16 9.543 12.759 -0.254 1.00 25.01 C ATOM 271 CD1 LEU A 16 8.647 13.593 -1.196 1.00 40.43 C ATOM 272 CD2 LEU A 16 10.174 13.657 0.841 1.00 62.53 C ATOM 0 H LEU A 16 6.766 11.683 -1.145 1.00 73.12 H new ATOM 0 HA LEU A 16 9.158 10.051 -1.147 1.00 72.12 H new ATOM 0 HB2 LEU A 16 7.900 11.937 0.908 1.00 10.51 H new ATOM 0 HB3 LEU A 16 9.427 11.115 1.163 1.00 10.51 H new ATOM 0 HG LEU A 16 10.337 12.338 -0.871 1.00 25.01 H new ATOM 0 HD11 LEU A 16 9.226 14.415 -1.615 1.00 40.43 H new ATOM 0 HD12 LEU A 16 8.279 12.960 -2.003 1.00 40.43 H new ATOM 0 HD13 LEU A 16 7.802 13.993 -0.635 1.00 40.43 H new ATOM 0 HD21 LEU A 16 10.696 14.490 0.372 1.00 62.53 H new ATOM 0 HD22 LEU A 16 9.390 14.041 1.493 1.00 62.53 H new ATOM 0 HD23 LEU A 16 10.880 13.071 1.429 1.00 62.53 H new ATOM 284 N TRP A 17 7.677 8.001 -0.357 1.00 62.12 N ATOM 285 CA TRP A 17 7.273 6.733 0.300 1.00 21.15 C ATOM 286 C TRP A 17 8.383 6.206 1.242 1.00 70.25 C ATOM 287 O TRP A 17 9.541 6.063 0.819 1.00 30.15 O ATOM 288 CB TRP A 17 6.932 5.664 -0.773 1.00 41.11 C ATOM 289 CG TRP A 17 5.637 5.928 -1.505 1.00 62.54 C ATOM 290 CD1 TRP A 17 5.464 6.476 -2.746 1.00 40.34 C ATOM 291 CD2 TRP A 17 4.326 5.648 -1.006 1.00 55.40 C ATOM 292 NE1 TRP A 17 4.118 6.535 -3.048 1.00 61.25 N ATOM 293 CE2 TRP A 17 3.404 6.033 -1.991 1.00 2.34 C ATOM 294 CE3 TRP A 17 3.856 5.100 0.181 1.00 12.34 C ATOM 295 CZ2 TRP A 17 2.034 5.898 -1.815 1.00 62.10 C ATOM 296 CZ3 TRP A 17 2.501 4.955 0.357 1.00 75.45 C ATOM 297 CH2 TRP A 17 1.597 5.354 -0.637 1.00 52.42 C ATOM 0 H TRP A 17 7.831 7.908 -1.361 1.00 62.12 H new ATOM 0 HA TRP A 17 6.388 6.934 0.904 1.00 21.15 H new ATOM 0 HB2 TRP A 17 7.745 5.617 -1.497 1.00 41.11 H new ATOM 0 HB3 TRP A 17 6.875 4.687 -0.294 1.00 41.11 H new ATOM 0 HD1 TRP A 17 6.261 6.812 -3.393 1.00 40.34 H new ATOM 0 HE1 TRP A 17 3.720 6.894 -3.916 1.00 61.25 H new ATOM 0 HE3 TRP A 17 4.545 4.793 0.954 1.00 12.34 H new ATOM 0 HZ2 TRP A 17 1.338 6.211 -2.579 1.00 62.10 H new ATOM 0 HZ3 TRP A 17 2.127 4.527 1.275 1.00 75.45 H new ATOM 0 HH2 TRP A 17 0.537 5.230 -0.471 1.00 52.42 H new ATOM 308 N THR A 18 8.032 5.928 2.517 1.00 41.20 N ATOM 309 CA THR A 18 8.996 5.361 3.500 1.00 24.33 C ATOM 310 C THR A 18 8.752 3.858 3.711 1.00 63.31 C ATOM 311 O THR A 18 7.679 3.335 3.385 1.00 73.34 O ATOM 312 CB THR A 18 8.958 6.073 4.900 1.00 75.50 C ATOM 313 OG1 THR A 18 7.753 5.744 5.620 1.00 33.44 O ATOM 314 CG2 THR A 18 9.065 7.604 4.770 1.00 52.34 C ATOM 0 H THR A 18 7.097 6.084 2.893 1.00 41.20 H new ATOM 0 HA THR A 18 9.980 5.531 3.064 1.00 24.33 H new ATOM 0 HB THR A 18 9.823 5.709 5.455 1.00 75.50 H new ATOM 0 HG1 THR A 18 6.973 6.014 5.093 1.00 33.44 H new ATOM 0 HG21 THR A 18 9.035 8.056 5.761 1.00 52.34 H new ATOM 0 HG22 THR A 18 10.004 7.863 4.282 1.00 52.34 H new ATOM 0 HG23 THR A 18 8.232 7.978 4.175 1.00 52.34 H new ATOM 322 N ARG A 19 9.751 3.194 4.317 1.00 33.51 N ATOM 323 CA ARG A 19 9.740 1.732 4.572 1.00 73.25 C ATOM 324 C ARG A 19 8.553 1.298 5.478 1.00 40.42 C ATOM 325 O ARG A 19 8.154 0.132 5.486 1.00 2.14 O ATOM 326 CB ARG A 19 11.095 1.327 5.221 1.00 51.34 C ATOM 327 CG ARG A 19 11.588 -0.106 4.913 1.00 63.32 C ATOM 328 CD ARG A 19 12.000 -0.298 3.430 1.00 30.15 C ATOM 329 NE ARG A 19 10.866 -0.630 2.535 1.00 23.12 N ATOM 330 CZ ARG A 19 10.933 -1.430 1.486 1.00 11.23 C ATOM 331 NH1 ARG A 19 12.050 -1.983 1.128 1.00 65.35 N ATOM 332 NH2 ARG A 19 9.872 -1.664 0.794 1.00 3.02 N ATOM 0 H ARG A 19 10.598 3.655 4.649 1.00 33.51 H new ATOM 0 HA ARG A 19 9.608 1.219 3.619 1.00 73.25 H new ATOM 0 HB2 ARG A 19 11.859 2.032 4.892 1.00 51.34 H new ATOM 0 HB3 ARG A 19 11.005 1.435 6.302 1.00 51.34 H new ATOM 0 HG2 ARG A 19 12.439 -0.337 5.554 1.00 63.32 H new ATOM 0 HG3 ARG A 19 10.800 -0.817 5.161 1.00 63.32 H new ATOM 0 HD2 ARG A 19 12.477 0.615 3.074 1.00 30.15 H new ATOM 0 HD3 ARG A 19 12.744 -1.092 3.369 1.00 30.15 H new ATOM 0 HE ARG A 19 9.962 -0.207 2.746 1.00 23.12 H new ATOM 0 HH11 ARG A 19 12.901 -1.804 1.660 1.00 65.35 H new ATOM 0 HH12 ARG A 19 12.077 -2.597 0.314 1.00 65.35 H new ATOM 0 HH21 ARG A 19 8.986 -1.232 1.057 1.00 3.02 H new ATOM 0 HH22 ARG A 19 9.918 -2.281 -0.017 1.00 3.02 H new ATOM 346 N ASN A 20 8.017 2.266 6.248 1.00 1.13 N ATOM 347 CA ASN A 20 6.846 2.064 7.120 1.00 41.23 C ATOM 348 C ASN A 20 5.540 1.997 6.286 1.00 61.43 C ATOM 349 O ASN A 20 4.752 1.065 6.446 1.00 51.32 O ATOM 350 CB ASN A 20 6.776 3.212 8.156 1.00 61.33 C ATOM 351 CG ASN A 20 5.625 3.060 9.156 1.00 43.43 C ATOM 352 OD1 ASN A 20 4.538 3.596 8.964 1.00 21.14 O ATOM 353 ND2 ASN A 20 5.853 2.319 10.225 1.00 61.10 N ATOM 0 H ASN A 20 8.388 3.216 6.281 1.00 1.13 H new ATOM 0 HA ASN A 20 6.952 1.114 7.643 1.00 41.23 H new ATOM 0 HB2 ASN A 20 7.718 3.257 8.702 1.00 61.33 H new ATOM 0 HB3 ASN A 20 6.667 4.160 7.630 1.00 61.33 H new ATOM 0 HD21 ASN A 20 5.116 2.181 10.916 1.00 61.10 H new ATOM 0 HD22 ASN A 20 6.766 1.885 10.359 1.00 61.10 H new ATOM 360 N ASP A 21 5.349 2.985 5.382 1.00 14.25 N ATOM 361 CA ASP A 21 4.110 3.124 4.566 1.00 71.22 C ATOM 362 C ASP A 21 3.855 1.888 3.686 1.00 62.34 C ATOM 363 O ASP A 21 2.768 1.296 3.725 1.00 12.34 O ATOM 364 CB ASP A 21 4.187 4.372 3.653 1.00 5.03 C ATOM 365 CG ASP A 21 4.322 5.685 4.422 1.00 34.43 C ATOM 366 OD1 ASP A 21 3.433 5.992 5.237 1.00 45.32 O ATOM 367 OD2 ASP A 21 5.305 6.419 4.206 1.00 24.44 O ATOM 0 H ASP A 21 6.043 3.708 5.194 1.00 14.25 H new ATOM 0 HA ASP A 21 3.287 3.228 5.273 1.00 71.22 H new ATOM 0 HB2 ASP A 21 5.037 4.267 2.979 1.00 5.03 H new ATOM 0 HB3 ASP A 21 3.291 4.414 3.033 1.00 5.03 H new ATOM 372 N ASP A 22 4.881 1.520 2.898 1.00 61.11 N ATOM 373 CA ASP A 22 4.805 0.395 1.951 1.00 4.53 C ATOM 374 C ASP A 22 4.564 -0.968 2.672 1.00 24.55 C ATOM 375 O ASP A 22 3.893 -1.862 2.138 1.00 31.14 O ATOM 376 CB ASP A 22 6.075 0.378 1.047 1.00 25.50 C ATOM 377 CG ASP A 22 7.432 0.271 1.779 1.00 31.12 C ATOM 378 OD1 ASP A 22 7.667 -0.720 2.509 1.00 21.33 O ATOM 379 OD2 ASP A 22 8.306 1.136 1.568 1.00 0.43 O ATOM 0 H ASP A 22 5.784 1.994 2.900 1.00 61.11 H new ATOM 0 HA ASP A 22 3.936 0.542 1.310 1.00 4.53 H new ATOM 0 HB2 ASP A 22 5.992 -0.460 0.355 1.00 25.50 H new ATOM 0 HB3 ASP A 22 6.080 1.288 0.447 1.00 25.50 H new ATOM 384 N ARG A 23 5.105 -1.092 3.896 1.00 53.10 N ATOM 385 CA ARG A 23 4.925 -2.281 4.758 1.00 42.33 C ATOM 386 C ARG A 23 3.476 -2.379 5.298 1.00 0.13 C ATOM 387 O ARG A 23 2.907 -3.469 5.366 1.00 54.33 O ATOM 388 CB ARG A 23 5.946 -2.230 5.920 1.00 73.04 C ATOM 389 CG ARG A 23 5.923 -3.454 6.867 1.00 34.25 C ATOM 390 CD ARG A 23 7.100 -3.443 7.866 1.00 23.53 C ATOM 391 NE ARG A 23 8.394 -3.311 7.172 1.00 4.33 N ATOM 392 CZ ARG A 23 9.566 -3.180 7.749 1.00 2.25 C ATOM 393 NH1 ARG A 23 9.705 -3.261 9.036 1.00 14.24 N ATOM 394 NH2 ARG A 23 10.608 -2.988 7.010 1.00 35.44 N ATOM 0 H ARG A 23 5.684 -0.368 4.321 1.00 53.10 H new ATOM 0 HA ARG A 23 5.103 -3.175 4.161 1.00 42.33 H new ATOM 0 HB2 ARG A 23 6.947 -2.134 5.500 1.00 73.04 H new ATOM 0 HB3 ARG A 23 5.759 -1.331 6.508 1.00 73.04 H new ATOM 0 HG2 ARG A 23 4.982 -3.467 7.417 1.00 34.25 H new ATOM 0 HG3 ARG A 23 5.959 -4.369 6.276 1.00 34.25 H new ATOM 0 HD2 ARG A 23 6.976 -2.618 8.568 1.00 23.53 H new ATOM 0 HD3 ARG A 23 7.091 -4.363 8.451 1.00 23.53 H new ATOM 0 HE ARG A 23 8.377 -3.322 6.152 1.00 4.33 H new ATOM 0 HH11 ARG A 23 8.891 -3.431 9.627 1.00 14.24 H new ATOM 0 HH12 ARG A 23 10.628 -3.155 9.457 1.00 14.24 H new ATOM 0 HH21 ARG A 23 10.512 -2.940 5.996 1.00 35.44 H new ATOM 0 HH22 ARG A 23 11.527 -2.884 7.441 1.00 35.44 H new ATOM 408 N VAL A 24 2.898 -1.223 5.684 1.00 74.41 N ATOM 409 CA VAL A 24 1.487 -1.119 6.138 1.00 71.31 C ATOM 410 C VAL A 24 0.502 -1.536 5.012 1.00 24.12 C ATOM 411 O VAL A 24 -0.491 -2.228 5.273 1.00 62.41 O ATOM 412 CB VAL A 24 1.178 0.343 6.662 1.00 74.34 C ATOM 413 CG1 VAL A 24 -0.332 0.598 6.867 1.00 64.25 C ATOM 414 CG2 VAL A 24 1.952 0.628 7.974 1.00 14.35 C ATOM 0 H VAL A 24 3.393 -0.331 5.691 1.00 74.41 H new ATOM 0 HA VAL A 24 1.345 -1.812 6.967 1.00 71.31 H new ATOM 0 HB VAL A 24 1.516 1.030 5.886 1.00 74.34 H new ATOM 0 HG11 VAL A 24 -0.484 1.616 7.227 1.00 64.25 H new ATOM 0 HG12 VAL A 24 -0.855 0.466 5.920 1.00 64.25 H new ATOM 0 HG13 VAL A 24 -0.724 -0.108 7.599 1.00 64.25 H new ATOM 0 HG21 VAL A 24 1.726 1.637 8.318 1.00 14.35 H new ATOM 0 HG22 VAL A 24 1.652 -0.091 8.737 1.00 14.35 H new ATOM 0 HG23 VAL A 24 3.023 0.538 7.792 1.00 14.35 H new ATOM 424 N ILE A 25 0.816 -1.134 3.761 1.00 64.43 N ATOM 425 CA ILE A 25 0.051 -1.549 2.557 1.00 33.44 C ATOM 426 C ILE A 25 -0.014 -3.096 2.438 1.00 50.43 C ATOM 427 O ILE A 25 -1.102 -3.676 2.361 1.00 24.31 O ATOM 428 CB ILE A 25 0.670 -0.921 1.240 1.00 3.14 C ATOM 429 CG1 ILE A 25 0.546 0.637 1.278 1.00 62.43 C ATOM 430 CG2 ILE A 25 0.014 -1.496 -0.049 1.00 2.23 C ATOM 431 CD1 ILE A 25 1.228 1.368 0.134 1.00 4.00 C ATOM 0 H ILE A 25 1.601 -0.517 3.554 1.00 64.43 H new ATOM 0 HA ILE A 25 -0.965 -1.172 2.671 1.00 33.44 H new ATOM 0 HB ILE A 25 1.725 -1.194 1.208 1.00 3.14 H new ATOM 0 HG12 ILE A 25 -0.511 0.901 1.278 1.00 62.43 H new ATOM 0 HG13 ILE A 25 0.964 0.996 2.218 1.00 62.43 H new ATOM 0 HG21 ILE A 25 0.470 -1.036 -0.926 1.00 2.23 H new ATOM 0 HG22 ILE A 25 0.166 -2.575 -0.084 1.00 2.23 H new ATOM 0 HG23 ILE A 25 -1.054 -1.280 -0.041 1.00 2.23 H new ATOM 0 HD11 ILE A 25 1.084 2.442 0.251 1.00 4.00 H new ATOM 0 HD12 ILE A 25 2.294 1.142 0.142 1.00 4.00 H new ATOM 0 HD13 ILE A 25 0.795 1.046 -0.813 1.00 4.00 H new ATOM 443 N LEU A 26 1.163 -3.741 2.464 1.00 60.01 N ATOM 444 CA LEU A 26 1.285 -5.214 2.361 1.00 75.12 C ATOM 445 C LEU A 26 0.594 -5.942 3.541 1.00 71.24 C ATOM 446 O LEU A 26 -0.181 -6.882 3.335 1.00 24.14 O ATOM 447 CB LEU A 26 2.785 -5.603 2.288 1.00 52.42 C ATOM 448 CG LEU A 26 3.549 -5.084 1.035 1.00 12.44 C ATOM 449 CD1 LEU A 26 5.052 -5.424 1.108 1.00 75.15 C ATOM 450 CD2 LEU A 26 2.908 -5.616 -0.269 1.00 25.13 C ATOM 0 H LEU A 26 2.059 -3.262 2.557 1.00 60.01 H new ATOM 0 HA LEU A 26 0.776 -5.531 1.451 1.00 75.12 H new ATOM 0 HB2 LEU A 26 3.285 -5.225 3.180 1.00 52.42 H new ATOM 0 HB3 LEU A 26 2.863 -6.690 2.316 1.00 52.42 H new ATOM 0 HG LEU A 26 3.465 -3.997 1.023 1.00 12.44 H new ATOM 0 HD11 LEU A 26 5.554 -5.047 0.217 1.00 75.15 H new ATOM 0 HD12 LEU A 26 5.487 -4.961 1.993 1.00 75.15 H new ATOM 0 HD13 LEU A 26 5.178 -6.505 1.165 1.00 75.15 H new ATOM 0 HD21 LEU A 26 3.462 -5.237 -1.128 1.00 25.13 H new ATOM 0 HD22 LEU A 26 2.937 -6.706 -0.270 1.00 25.13 H new ATOM 0 HD23 LEU A 26 1.873 -5.280 -0.329 1.00 25.13 H new ATOM 462 N LEU A 27 0.858 -5.462 4.765 1.00 5.15 N ATOM 463 CA LEU A 27 0.386 -6.090 6.019 1.00 54.42 C ATOM 464 C LEU A 27 -1.159 -6.124 6.109 1.00 33.21 C ATOM 465 O LEU A 27 -1.750 -7.178 6.371 1.00 44.04 O ATOM 466 CB LEU A 27 0.991 -5.339 7.240 1.00 23.44 C ATOM 467 CG LEU A 27 0.660 -5.912 8.659 1.00 71.53 C ATOM 468 CD1 LEU A 27 1.130 -7.379 8.810 1.00 2.43 C ATOM 469 CD2 LEU A 27 1.268 -5.018 9.768 1.00 14.41 C ATOM 0 H LEU A 27 1.410 -4.619 4.919 1.00 5.15 H new ATOM 0 HA LEU A 27 0.726 -7.126 6.024 1.00 54.42 H new ATOM 0 HB2 LEU A 27 2.075 -5.323 7.125 1.00 23.44 H new ATOM 0 HB3 LEU A 27 0.651 -4.304 7.204 1.00 23.44 H new ATOM 0 HG LEU A 27 -0.424 -5.907 8.770 1.00 71.53 H new ATOM 0 HD11 LEU A 27 0.882 -7.740 9.808 1.00 2.43 H new ATOM 0 HD12 LEU A 27 0.631 -7.999 8.066 1.00 2.43 H new ATOM 0 HD13 LEU A 27 2.209 -7.432 8.663 1.00 2.43 H new ATOM 0 HD21 LEU A 27 1.025 -5.435 10.745 1.00 14.41 H new ATOM 0 HD22 LEU A 27 2.351 -4.977 9.649 1.00 14.41 H new ATOM 0 HD23 LEU A 27 0.856 -4.012 9.691 1.00 14.41 H new ATOM 481 N GLU A 28 -1.805 -4.967 5.876 1.00 42.33 N ATOM 482 CA GLU A 28 -3.281 -4.839 5.947 1.00 24.22 C ATOM 483 C GLU A 28 -3.994 -5.426 4.703 1.00 41.30 C ATOM 484 O GLU A 28 -5.195 -5.722 4.751 1.00 21.22 O ATOM 485 CB GLU A 28 -3.685 -3.376 6.248 1.00 74.23 C ATOM 486 CG GLU A 28 -3.049 -2.843 7.560 1.00 13.13 C ATOM 487 CD GLU A 28 -3.672 -1.536 8.078 1.00 13.54 C ATOM 488 OE1 GLU A 28 -3.293 -0.457 7.611 1.00 62.24 O ATOM 489 OE2 GLU A 28 -4.548 -1.589 8.969 1.00 12.31 O ATOM 0 H GLU A 28 -1.328 -4.098 5.635 1.00 42.33 H new ATOM 0 HA GLU A 28 -3.629 -5.449 6.781 1.00 24.22 H new ATOM 0 HB2 GLU A 28 -3.382 -2.740 5.416 1.00 74.23 H new ATOM 0 HB3 GLU A 28 -4.771 -3.310 6.321 1.00 74.23 H new ATOM 0 HG2 GLU A 28 -3.142 -3.607 8.332 1.00 13.13 H new ATOM 0 HG3 GLU A 28 -1.983 -2.684 7.395 1.00 13.13 H new ATOM 496 N CYS A 29 -3.244 -5.611 3.597 1.00 51.22 N ATOM 497 CA CYS A 29 -3.701 -6.447 2.449 1.00 51.55 C ATOM 498 C CYS A 29 -3.724 -7.953 2.828 1.00 63.44 C ATOM 499 O CYS A 29 -4.508 -8.724 2.278 1.00 14.52 O ATOM 500 CB CYS A 29 -2.844 -6.209 1.180 1.00 2.52 C ATOM 501 SG CYS A 29 -3.166 -4.630 0.357 1.00 23.43 S ATOM 0 H CYS A 29 -2.321 -5.197 3.467 1.00 51.22 H new ATOM 0 HA CYS A 29 -4.720 -6.139 2.214 1.00 51.55 H new ATOM 0 HB2 CYS A 29 -1.790 -6.256 1.452 1.00 2.52 H new ATOM 0 HB3 CYS A 29 -3.027 -7.019 0.474 1.00 2.52 H new ATOM 0 HG CYS A 29 -2.433 -3.702 0.897 1.00 23.43 H new ATOM 507 N GLN A 30 -2.840 -8.370 3.755 1.00 40.00 N ATOM 508 CA GLN A 30 -2.837 -9.756 4.306 1.00 42.14 C ATOM 509 C GLN A 30 -3.854 -9.922 5.467 1.00 53.21 C ATOM 510 O GLN A 30 -4.240 -11.047 5.802 1.00 3.10 O ATOM 511 CB GLN A 30 -1.407 -10.154 4.764 1.00 43.50 C ATOM 512 CG GLN A 30 -0.334 -10.090 3.656 1.00 42.12 C ATOM 513 CD GLN A 30 -0.685 -10.916 2.412 1.00 53.32 C ATOM 514 OE1 GLN A 30 -0.383 -12.102 2.325 1.00 65.54 O ATOM 515 NE2 GLN A 30 -1.322 -10.292 1.432 1.00 74.45 N ATOM 0 H GLN A 30 -2.113 -7.770 4.145 1.00 40.00 H new ATOM 0 HA GLN A 30 -3.150 -10.428 3.507 1.00 42.14 H new ATOM 0 HB2 GLN A 30 -1.106 -9.498 5.581 1.00 43.50 H new ATOM 0 HB3 GLN A 30 -1.437 -11.168 5.164 1.00 43.50 H new ATOM 0 HG2 GLN A 30 -0.189 -9.050 3.362 1.00 42.12 H new ATOM 0 HG3 GLN A 30 0.615 -10.443 4.060 1.00 42.12 H new ATOM 0 HE21 GLN A 30 -1.563 -9.305 1.527 1.00 74.45 H new ATOM 0 HE22 GLN A 30 -1.572 -10.798 0.582 1.00 74.45 H new ATOM 524 N LYS A 31 -4.257 -8.800 6.094 1.00 22.41 N ATOM 525 CA LYS A 31 -5.354 -8.783 7.100 1.00 44.13 C ATOM 526 C LYS A 31 -6.731 -8.936 6.402 1.00 44.41 C ATOM 527 O LYS A 31 -7.586 -9.710 6.840 1.00 70.44 O ATOM 528 CB LYS A 31 -5.335 -7.451 7.907 1.00 41.35 C ATOM 529 CG LYS A 31 -4.044 -7.171 8.716 1.00 73.21 C ATOM 530 CD LYS A 31 -3.877 -8.057 9.970 1.00 41.11 C ATOM 531 CE LYS A 31 -2.609 -7.697 10.770 1.00 21.02 C ATOM 532 NZ LYS A 31 -2.522 -8.441 12.054 1.00 10.14 N ATOM 0 H LYS A 31 -3.840 -7.884 5.925 1.00 22.41 H new ATOM 0 HA LYS A 31 -5.199 -9.619 7.782 1.00 44.13 H new ATOM 0 HB2 LYS A 31 -5.492 -6.625 7.213 1.00 41.35 H new ATOM 0 HB3 LYS A 31 -6.180 -7.454 8.596 1.00 41.35 H new ATOM 0 HG2 LYS A 31 -3.182 -7.317 8.065 1.00 73.21 H new ATOM 0 HG3 LYS A 31 -4.040 -6.125 9.021 1.00 73.21 H new ATOM 0 HD2 LYS A 31 -4.752 -7.947 10.610 1.00 41.11 H new ATOM 0 HD3 LYS A 31 -3.831 -9.104 9.670 1.00 41.11 H new ATOM 0 HE2 LYS A 31 -1.728 -7.914 10.167 1.00 21.02 H new ATOM 0 HE3 LYS A 31 -2.601 -6.626 10.972 1.00 21.02 H new ATOM 0 HZ1 LYS A 31 -1.654 -8.166 12.556 1.00 10.14 H new ATOM 0 HZ2 LYS A 31 -3.349 -8.215 12.643 1.00 10.14 H new ATOM 0 HZ3 LYS A 31 -2.502 -9.463 11.862 1.00 10.14 H new ATOM 546 N ARG A 32 -6.911 -8.186 5.297 1.00 14.22 N ATOM 547 CA ARG A 32 -8.203 -8.082 4.576 1.00 52.14 C ATOM 548 C ARG A 32 -8.165 -8.816 3.207 1.00 75.21 C ATOM 549 O ARG A 32 -8.794 -9.865 3.037 1.00 22.22 O ATOM 550 CB ARG A 32 -8.552 -6.584 4.371 1.00 53.43 C ATOM 551 CG ARG A 32 -8.756 -5.785 5.676 1.00 10.02 C ATOM 552 CD ARG A 32 -9.113 -4.315 5.404 1.00 30.11 C ATOM 553 NE ARG A 32 -10.253 -4.196 4.474 1.00 0.11 N ATOM 554 CZ ARG A 32 -10.730 -3.077 3.989 1.00 4.34 C ATOM 555 NH1 ARG A 32 -10.294 -1.940 4.399 1.00 4.50 N ATOM 556 NH2 ARG A 32 -11.673 -3.107 3.109 1.00 14.53 N ATOM 0 H ARG A 32 -6.165 -7.633 4.875 1.00 14.22 H new ATOM 0 HA ARG A 32 -8.971 -8.566 5.179 1.00 52.14 H new ATOM 0 HB2 ARG A 32 -7.755 -6.115 3.795 1.00 53.43 H new ATOM 0 HB3 ARG A 32 -9.461 -6.515 3.773 1.00 53.43 H new ATOM 0 HG2 ARG A 32 -9.549 -6.247 6.264 1.00 10.02 H new ATOM 0 HG3 ARG A 32 -7.847 -5.832 6.275 1.00 10.02 H new ATOM 0 HD2 ARG A 32 -9.356 -3.819 6.344 1.00 30.11 H new ATOM 0 HD3 ARG A 32 -8.247 -3.801 4.987 1.00 30.11 H new ATOM 0 HE ARG A 32 -10.709 -5.061 4.184 1.00 0.11 H new ATOM 0 HH11 ARG A 32 -9.566 -1.900 5.112 1.00 4.50 H new ATOM 0 HH12 ARG A 32 -10.676 -1.077 4.011 1.00 4.50 H new ATOM 0 HH21 ARG A 32 -12.046 -4.002 2.792 1.00 14.53 H new ATOM 0 HH22 ARG A 32 -12.045 -2.236 2.731 1.00 14.53 H new ATOM 570 N GLY A 33 -7.418 -8.241 2.247 1.00 33.01 N ATOM 571 CA GLY A 33 -7.358 -8.755 0.866 1.00 34.12 C ATOM 572 C GLY A 33 -6.965 -7.662 -0.145 1.00 11.11 C ATOM 573 O GLY A 33 -7.297 -6.493 0.076 1.00 11.11 O ATOM 0 H GLY A 33 -6.843 -7.413 2.404 1.00 33.01 H new ATOM 0 HA2 GLY A 33 -6.637 -9.571 0.815 1.00 34.12 H new ATOM 0 HA3 GLY A 33 -8.328 -9.169 0.592 1.00 34.12 H new ATOM 577 N PRO A 34 -6.232 -7.997 -1.263 1.00 24.24 N ATOM 578 CA PRO A 34 -5.892 -7.021 -2.342 1.00 1.02 C ATOM 579 C PRO A 34 -7.150 -6.516 -3.112 1.00 64.32 C ATOM 580 O PRO A 34 -7.543 -7.077 -4.143 1.00 71.25 O ATOM 581 CB PRO A 34 -4.922 -7.819 -3.271 1.00 41.21 C ATOM 582 CG PRO A 34 -4.473 -8.989 -2.442 1.00 63.40 C ATOM 583 CD PRO A 34 -5.650 -9.330 -1.556 1.00 15.42 C ATOM 0 HA PRO A 34 -5.444 -6.110 -1.945 1.00 1.02 H new ATOM 0 HB2 PRO A 34 -5.426 -8.148 -4.180 1.00 41.21 H new ATOM 0 HB3 PRO A 34 -4.076 -7.205 -3.580 1.00 41.21 H new ATOM 0 HG2 PRO A 34 -4.198 -9.835 -3.073 1.00 63.40 H new ATOM 0 HG3 PRO A 34 -3.595 -8.736 -1.848 1.00 63.40 H new ATOM 0 HD2 PRO A 34 -6.363 -9.981 -2.062 1.00 15.42 H new ATOM 0 HD3 PRO A 34 -5.338 -9.844 -0.647 1.00 15.42 H new ATOM 591 N SER A 35 -7.789 -5.462 -2.572 1.00 62.43 N ATOM 592 CA SER A 35 -9.037 -4.869 -3.129 1.00 62.31 C ATOM 593 C SER A 35 -8.903 -3.346 -3.267 1.00 23.11 C ATOM 594 O SER A 35 -8.127 -2.729 -2.543 1.00 42.43 O ATOM 595 CB SER A 35 -10.243 -5.200 -2.216 1.00 62.32 C ATOM 596 OG SER A 35 -11.428 -4.540 -2.648 1.00 41.05 O ATOM 0 H SER A 35 -7.458 -4.989 -1.731 1.00 62.43 H new ATOM 0 HA SER A 35 -9.202 -5.299 -4.117 1.00 62.31 H new ATOM 0 HB2 SER A 35 -10.409 -6.277 -2.209 1.00 62.32 H new ATOM 0 HB3 SER A 35 -10.015 -4.905 -1.192 1.00 62.32 H new ATOM 0 HG SER A 35 -12.169 -4.773 -2.050 1.00 41.05 H new ATOM 602 N SER A 36 -9.686 -2.752 -4.185 1.00 61.40 N ATOM 603 CA SER A 36 -9.727 -1.282 -4.392 1.00 60.23 C ATOM 604 C SER A 36 -10.331 -0.550 -3.171 1.00 65.50 C ATOM 605 O SER A 36 -9.980 0.599 -2.891 1.00 63.24 O ATOM 606 CB SER A 36 -10.519 -0.939 -5.670 1.00 33.43 C ATOM 607 OG SER A 36 -11.864 -1.395 -5.589 1.00 44.52 O ATOM 0 H SER A 36 -10.308 -3.270 -4.805 1.00 61.40 H new ATOM 0 HA SER A 36 -8.700 -0.937 -4.509 1.00 60.23 H new ATOM 0 HB2 SER A 36 -10.508 0.140 -5.827 1.00 33.43 H new ATOM 0 HB3 SER A 36 -10.032 -1.392 -6.534 1.00 33.43 H new ATOM 0 HG SER A 36 -12.339 -1.161 -6.413 1.00 44.52 H new ATOM 613 N LYS A 37 -11.243 -1.241 -2.444 1.00 2.31 N ATOM 614 CA LYS A 37 -11.792 -0.752 -1.154 1.00 55.24 C ATOM 615 C LYS A 37 -10.695 -0.749 -0.051 1.00 63.42 C ATOM 616 O LYS A 37 -10.689 0.112 0.839 1.00 52.31 O ATOM 617 CB LYS A 37 -13.005 -1.625 -0.701 1.00 72.54 C ATOM 618 CG LYS A 37 -13.665 -1.145 0.620 1.00 11.43 C ATOM 619 CD LYS A 37 -14.819 -2.050 1.113 1.00 12.24 C ATOM 620 CE LYS A 37 -15.393 -1.582 2.469 1.00 51.50 C ATOM 621 NZ LYS A 37 -16.489 -2.460 2.958 1.00 43.42 N ATOM 0 H LYS A 37 -11.616 -2.146 -2.732 1.00 2.31 H new ATOM 0 HA LYS A 37 -12.136 0.271 -1.304 1.00 55.24 H new ATOM 0 HB2 LYS A 37 -13.755 -1.626 -1.492 1.00 72.54 H new ATOM 0 HB3 LYS A 37 -12.672 -2.656 -0.576 1.00 72.54 H new ATOM 0 HG2 LYS A 37 -12.902 -1.091 1.397 1.00 11.43 H new ATOM 0 HG3 LYS A 37 -14.046 -0.134 0.477 1.00 11.43 H new ATOM 0 HD2 LYS A 37 -15.615 -2.059 0.368 1.00 12.24 H new ATOM 0 HD3 LYS A 37 -14.459 -3.075 1.207 1.00 12.24 H new ATOM 0 HE2 LYS A 37 -14.593 -1.558 3.209 1.00 51.50 H new ATOM 0 HE3 LYS A 37 -15.766 -0.563 2.370 1.00 51.50 H new ATOM 0 HZ1 LYS A 37 -16.839 -2.103 3.870 1.00 43.42 H new ATOM 0 HZ2 LYS A 37 -17.266 -2.464 2.266 1.00 43.42 H new ATOM 0 HZ3 LYS A 37 -16.130 -3.428 3.080 1.00 43.42 H new ATOM 635 N THR A 38 -9.752 -1.709 -0.143 1.00 53.41 N ATOM 636 CA THR A 38 -8.647 -1.857 0.832 1.00 13.22 C ATOM 637 C THR A 38 -7.536 -0.831 0.516 1.00 43.11 C ATOM 638 O THR A 38 -6.897 -0.308 1.417 1.00 70.31 O ATOM 639 CB THR A 38 -8.067 -3.318 0.834 1.00 63.13 C ATOM 640 OG1 THR A 38 -9.122 -4.260 1.106 1.00 1.13 O ATOM 641 CG2 THR A 38 -6.947 -3.513 1.875 1.00 24.03 C ATOM 0 H THR A 38 -9.733 -2.402 -0.891 1.00 53.41 H new ATOM 0 HA THR A 38 -9.043 -1.666 1.829 1.00 13.22 H new ATOM 0 HB THR A 38 -7.638 -3.488 -0.153 1.00 63.13 H new ATOM 0 HG1 THR A 38 -8.827 -5.161 0.859 1.00 1.13 H new ATOM 0 HG21 THR A 38 -6.584 -4.540 1.831 1.00 24.03 H new ATOM 0 HG22 THR A 38 -6.126 -2.829 1.659 1.00 24.03 H new ATOM 0 HG23 THR A 38 -7.337 -3.308 2.872 1.00 24.03 H new ATOM 649 N PHE A 39 -7.350 -0.532 -0.780 1.00 21.22 N ATOM 650 CA PHE A 39 -6.434 0.532 -1.247 1.00 23.44 C ATOM 651 C PHE A 39 -6.978 1.936 -0.879 1.00 13.51 C ATOM 652 O PHE A 39 -6.205 2.861 -0.610 1.00 73.51 O ATOM 653 CB PHE A 39 -6.211 0.417 -2.780 1.00 54.32 C ATOM 654 CG PHE A 39 -5.488 -0.857 -3.241 1.00 63.55 C ATOM 655 CD1 PHE A 39 -4.409 -1.374 -2.519 1.00 45.11 C ATOM 656 CD2 PHE A 39 -5.880 -1.532 -4.401 1.00 61.22 C ATOM 657 CE1 PHE A 39 -3.756 -2.517 -2.939 1.00 2.40 C ATOM 658 CE2 PHE A 39 -5.225 -2.674 -4.820 1.00 42.10 C ATOM 659 CZ PHE A 39 -4.164 -3.168 -4.087 1.00 0.42 C ATOM 0 H PHE A 39 -7.829 -1.019 -1.537 1.00 21.22 H new ATOM 0 HA PHE A 39 -5.476 0.401 -0.744 1.00 23.44 H new ATOM 0 HB2 PHE A 39 -7.180 0.466 -3.277 1.00 54.32 H new ATOM 0 HB3 PHE A 39 -5.638 1.282 -3.114 1.00 54.32 H new ATOM 0 HD1 PHE A 39 -4.081 -0.873 -1.620 1.00 45.11 H new ATOM 0 HD2 PHE A 39 -6.710 -1.154 -4.980 1.00 61.22 H new ATOM 0 HE1 PHE A 39 -2.924 -2.903 -2.368 1.00 2.40 H new ATOM 0 HE2 PHE A 39 -5.542 -3.180 -5.720 1.00 42.10 H new ATOM 0 HZ PHE A 39 -3.653 -4.063 -4.411 1.00 0.42 H new ATOM 669 N ALA A 40 -8.321 2.076 -0.870 1.00 73.40 N ATOM 670 CA ALA A 40 -9.014 3.303 -0.406 1.00 25.24 C ATOM 671 C ALA A 40 -8.901 3.466 1.133 1.00 1.31 C ATOM 672 O ALA A 40 -8.806 4.587 1.652 1.00 70.53 O ATOM 673 CB ALA A 40 -10.487 3.269 -0.840 1.00 75.12 C ATOM 0 H ALA A 40 -8.958 1.343 -1.184 1.00 73.40 H new ATOM 0 HA ALA A 40 -8.529 4.164 -0.865 1.00 25.24 H new ATOM 0 HB1 ALA A 40 -10.989 4.173 -0.496 1.00 75.12 H new ATOM 0 HB2 ALA A 40 -10.545 3.214 -1.927 1.00 75.12 H new ATOM 0 HB3 ALA A 40 -10.974 2.396 -0.406 1.00 75.12 H new ATOM 679 N TYR A 41 -8.924 2.327 1.847 1.00 60.11 N ATOM 680 CA TYR A 41 -8.659 2.270 3.304 1.00 62.55 C ATOM 681 C TYR A 41 -7.219 2.726 3.626 1.00 3.34 C ATOM 682 O TYR A 41 -7.017 3.578 4.477 1.00 1.21 O ATOM 683 CB TYR A 41 -8.901 0.832 3.823 1.00 20.20 C ATOM 684 CG TYR A 41 -8.445 0.563 5.271 1.00 65.12 C ATOM 685 CD1 TYR A 41 -9.086 1.166 6.356 1.00 54.25 C ATOM 686 CD2 TYR A 41 -7.376 -0.301 5.548 1.00 10.12 C ATOM 687 CE1 TYR A 41 -8.681 0.923 7.655 1.00 73.11 C ATOM 688 CE2 TYR A 41 -6.971 -0.545 6.845 1.00 62.12 C ATOM 689 CZ TYR A 41 -7.623 0.067 7.894 1.00 61.03 C ATOM 690 OH TYR A 41 -7.224 -0.188 9.191 1.00 24.34 O ATOM 0 H TYR A 41 -9.127 1.417 1.434 1.00 60.11 H new ATOM 0 HA TYR A 41 -9.344 2.952 3.808 1.00 62.55 H new ATOM 0 HB2 TYR A 41 -9.966 0.612 3.749 1.00 20.20 H new ATOM 0 HB3 TYR A 41 -8.385 0.135 3.163 1.00 20.20 H new ATOM 0 HD1 TYR A 41 -9.914 1.835 6.176 1.00 54.25 H new ATOM 0 HD2 TYR A 41 -6.860 -0.784 4.732 1.00 10.12 H new ATOM 0 HE1 TYR A 41 -9.189 1.400 8.480 1.00 73.11 H new ATOM 0 HE2 TYR A 41 -6.145 -1.214 7.037 1.00 62.12 H new ATOM 0 HH TYR A 41 -6.360 -0.651 9.183 1.00 24.34 H new ATOM 700 N LEU A 42 -6.242 2.140 2.914 1.00 60.13 N ATOM 701 CA LEU A 42 -4.799 2.457 3.051 1.00 52.04 C ATOM 702 C LEU A 42 -4.478 3.896 2.585 1.00 15.41 C ATOM 703 O LEU A 42 -3.477 4.480 3.002 1.00 32.44 O ATOM 704 CB LEU A 42 -3.972 1.411 2.268 1.00 51.54 C ATOM 705 CG LEU A 42 -4.050 -0.046 2.828 1.00 54.00 C ATOM 706 CD1 LEU A 42 -3.542 -1.082 1.802 1.00 4.12 C ATOM 707 CD2 LEU A 42 -3.294 -0.162 4.172 1.00 1.22 C ATOM 0 H LEU A 42 -6.429 1.421 2.215 1.00 60.13 H new ATOM 0 HA LEU A 42 -4.529 2.409 4.106 1.00 52.04 H new ATOM 0 HB2 LEU A 42 -4.310 1.404 1.232 1.00 51.54 H new ATOM 0 HB3 LEU A 42 -2.929 1.726 2.261 1.00 51.54 H new ATOM 0 HG LEU A 42 -5.100 -0.271 3.014 1.00 54.00 H new ATOM 0 HD11 LEU A 42 -3.613 -2.082 2.229 1.00 4.12 H new ATOM 0 HD12 LEU A 42 -4.151 -1.029 0.900 1.00 4.12 H new ATOM 0 HD13 LEU A 42 -2.503 -0.867 1.552 1.00 4.12 H new ATOM 0 HD21 LEU A 42 -3.363 -1.185 4.541 1.00 1.22 H new ATOM 0 HD22 LEU A 42 -2.246 0.101 4.024 1.00 1.22 H new ATOM 0 HD23 LEU A 42 -3.739 0.517 4.900 1.00 1.22 H new ATOM 719 N ALA A 43 -5.342 4.453 1.717 1.00 45.42 N ATOM 720 CA ALA A 43 -5.310 5.885 1.351 1.00 55.55 C ATOM 721 C ALA A 43 -5.641 6.782 2.571 1.00 65.11 C ATOM 722 O ALA A 43 -4.955 7.758 2.834 1.00 31.23 O ATOM 723 CB ALA A 43 -6.282 6.162 0.194 1.00 32.14 C ATOM 0 H ALA A 43 -6.081 3.927 1.250 1.00 45.42 H new ATOM 0 HA ALA A 43 -4.300 6.129 1.023 1.00 55.55 H new ATOM 0 HB1 ALA A 43 -6.248 7.220 -0.065 1.00 32.14 H new ATOM 0 HB2 ALA A 43 -5.995 5.567 -0.673 1.00 32.14 H new ATOM 0 HB3 ALA A 43 -7.294 5.895 0.498 1.00 32.14 H new ATOM 729 N ALA A 44 -6.695 6.418 3.316 1.00 24.34 N ATOM 730 CA ALA A 44 -7.104 7.130 4.561 1.00 2.21 C ATOM 731 C ALA A 44 -6.131 6.843 5.742 1.00 31.34 C ATOM 732 O ALA A 44 -5.877 7.702 6.589 1.00 2.21 O ATOM 733 CB ALA A 44 -8.540 6.723 4.935 1.00 71.35 C ATOM 0 H ALA A 44 -7.294 5.626 3.083 1.00 24.34 H new ATOM 0 HA ALA A 44 -7.065 8.202 4.368 1.00 2.21 H new ATOM 0 HB1 ALA A 44 -8.840 7.243 5.845 1.00 71.35 H new ATOM 0 HB2 ALA A 44 -9.217 6.991 4.124 1.00 71.35 H new ATOM 0 HB3 ALA A 44 -8.581 5.647 5.102 1.00 71.35 H new ATOM 739 N LYS A 45 -5.576 5.623 5.745 1.00 73.03 N ATOM 740 CA LYS A 45 -4.724 5.081 6.831 1.00 63.35 C ATOM 741 C LYS A 45 -3.285 5.669 6.780 1.00 22.13 C ATOM 742 O LYS A 45 -2.644 5.873 7.817 1.00 54.14 O ATOM 743 CB LYS A 45 -4.717 3.532 6.688 1.00 31.32 C ATOM 744 CG LYS A 45 -3.998 2.717 7.779 1.00 64.34 C ATOM 745 CD LYS A 45 -4.542 2.958 9.211 1.00 70.42 C ATOM 746 CE LYS A 45 -4.266 1.772 10.164 1.00 72.31 C ATOM 747 NZ LYS A 45 -2.847 1.323 10.126 1.00 42.32 N ATOM 0 H LYS A 45 -5.706 4.964 4.977 1.00 73.03 H new ATOM 0 HA LYS A 45 -5.127 5.367 7.803 1.00 63.35 H new ATOM 0 HB2 LYS A 45 -5.752 3.194 6.644 1.00 31.32 H new ATOM 0 HB3 LYS A 45 -4.261 3.285 5.729 1.00 31.32 H new ATOM 0 HG2 LYS A 45 -4.086 1.657 7.542 1.00 64.34 H new ATOM 0 HG3 LYS A 45 -2.936 2.961 7.759 1.00 64.34 H new ATOM 0 HD2 LYS A 45 -4.088 3.860 9.620 1.00 70.42 H new ATOM 0 HD3 LYS A 45 -5.616 3.136 9.162 1.00 70.42 H new ATOM 0 HE2 LYS A 45 -4.524 2.062 11.183 1.00 72.31 H new ATOM 0 HE3 LYS A 45 -4.914 0.938 9.896 1.00 72.31 H new ATOM 0 HZ1 LYS A 45 -2.611 0.843 11.018 1.00 42.32 H new ATOM 0 HZ2 LYS A 45 -2.712 0.665 9.332 1.00 42.32 H new ATOM 0 HZ3 LYS A 45 -2.225 2.147 10.002 1.00 42.32 H new ATOM 761 N LEU A 46 -2.790 5.928 5.552 1.00 1.35 N ATOM 762 CA LEU A 46 -1.470 6.573 5.312 1.00 5.21 C ATOM 763 C LEU A 46 -1.612 8.068 4.922 1.00 3.22 C ATOM 764 O LEU A 46 -0.596 8.758 4.769 1.00 60.03 O ATOM 765 CB LEU A 46 -0.717 5.807 4.193 1.00 32.44 C ATOM 766 CG LEU A 46 -0.410 4.303 4.477 1.00 63.11 C ATOM 767 CD1 LEU A 46 0.264 3.641 3.262 1.00 65.32 C ATOM 768 CD2 LEU A 46 0.446 4.139 5.752 1.00 5.43 C ATOM 0 H LEU A 46 -3.291 5.698 4.694 1.00 1.35 H new ATOM 0 HA LEU A 46 -0.905 6.531 6.243 1.00 5.21 H new ATOM 0 HB2 LEU A 46 -1.306 5.870 3.278 1.00 32.44 H new ATOM 0 HB3 LEU A 46 0.226 6.319 4.001 1.00 32.44 H new ATOM 0 HG LEU A 46 -1.358 3.794 4.651 1.00 63.11 H new ATOM 0 HD11 LEU A 46 0.468 2.594 3.485 1.00 65.32 H new ATOM 0 HD12 LEU A 46 -0.398 3.706 2.398 1.00 65.32 H new ATOM 0 HD13 LEU A 46 1.200 4.154 3.041 1.00 65.32 H new ATOM 0 HD21 LEU A 46 0.644 3.081 5.924 1.00 5.43 H new ATOM 0 HD22 LEU A 46 1.390 4.669 5.627 1.00 5.43 H new ATOM 0 HD23 LEU A 46 -0.091 4.551 6.606 1.00 5.43 H new ATOM 780 N ASP A 47 -2.874 8.542 4.747 1.00 70.40 N ATOM 781 CA ASP A 47 -3.205 9.937 4.334 1.00 64.50 C ATOM 782 C ASP A 47 -2.693 10.236 2.876 1.00 4.22 C ATOM 783 O ASP A 47 -2.365 11.373 2.517 1.00 61.23 O ATOM 784 CB ASP A 47 -2.683 10.946 5.412 1.00 43.14 C ATOM 785 CG ASP A 47 -3.239 12.377 5.274 1.00 50.23 C ATOM 786 OD1 ASP A 47 -4.459 12.566 5.466 1.00 2.02 O ATOM 787 OD2 ASP A 47 -2.466 13.310 4.968 1.00 30.41 O ATOM 0 H ASP A 47 -3.701 7.962 4.890 1.00 70.40 H new ATOM 0 HA ASP A 47 -4.287 10.061 4.286 1.00 64.50 H new ATOM 0 HB2 ASP A 47 -2.938 10.565 6.401 1.00 43.14 H new ATOM 0 HB3 ASP A 47 -1.595 10.986 5.357 1.00 43.14 H new ATOM 792 N LYS A 48 -2.680 9.178 2.029 1.00 22.21 N ATOM 793 CA LYS A 48 -2.212 9.234 0.610 1.00 14.41 C ATOM 794 C LYS A 48 -3.386 9.082 -0.396 1.00 35.14 C ATOM 795 O LYS A 48 -4.547 8.994 0.000 1.00 75.32 O ATOM 796 CB LYS A 48 -1.169 8.104 0.356 1.00 41.40 C ATOM 797 CG LYS A 48 0.006 8.068 1.352 1.00 2.14 C ATOM 798 CD LYS A 48 0.803 9.387 1.397 1.00 73.13 C ATOM 799 CE LYS A 48 1.888 9.377 2.481 1.00 4.05 C ATOM 800 NZ LYS A 48 2.628 10.665 2.543 1.00 42.14 N ATOM 0 H LYS A 48 -2.996 8.249 2.308 1.00 22.21 H new ATOM 0 HA LYS A 48 -1.758 10.212 0.453 1.00 14.41 H new ATOM 0 HB2 LYS A 48 -1.682 7.143 0.387 1.00 41.40 H new ATOM 0 HB3 LYS A 48 -0.769 8.219 -0.651 1.00 41.40 H new ATOM 0 HG2 LYS A 48 -0.377 7.848 2.348 1.00 2.14 H new ATOM 0 HG3 LYS A 48 0.678 7.254 1.082 1.00 2.14 H new ATOM 0 HD2 LYS A 48 1.265 9.563 0.426 1.00 73.13 H new ATOM 0 HD3 LYS A 48 0.119 10.216 1.579 1.00 73.13 H new ATOM 0 HE2 LYS A 48 1.430 9.175 3.450 1.00 4.05 H new ATOM 0 HE3 LYS A 48 2.589 8.566 2.284 1.00 4.05 H new ATOM 0 HZ1 LYS A 48 3.351 10.614 3.289 1.00 42.14 H new ATOM 0 HZ2 LYS A 48 3.087 10.846 1.627 1.00 42.14 H new ATOM 0 HZ3 LYS A 48 1.964 11.437 2.756 1.00 42.14 H new ATOM 814 N ASN A 49 -3.066 9.060 -1.709 1.00 22.31 N ATOM 815 CA ASN A 49 -4.053 8.773 -2.786 1.00 61.23 C ATOM 816 C ASN A 49 -4.189 7.239 -3.019 1.00 72.41 C ATOM 817 O ASN A 49 -3.176 6.532 -3.001 1.00 25.24 O ATOM 818 CB ASN A 49 -3.620 9.479 -4.097 1.00 72.41 C ATOM 819 CG ASN A 49 -3.631 11.008 -3.990 1.00 1.43 C ATOM 820 OD1 ASN A 49 -4.621 11.664 -4.307 1.00 44.54 O ATOM 821 ND2 ASN A 49 -2.537 11.587 -3.527 1.00 34.42 N ATOM 0 H ASN A 49 -2.123 9.239 -2.056 1.00 22.31 H new ATOM 0 HA ASN A 49 -5.026 9.156 -2.477 1.00 61.23 H new ATOM 0 HB2 ASN A 49 -2.617 9.147 -4.367 1.00 72.41 H new ATOM 0 HB3 ASN A 49 -4.285 9.173 -4.904 1.00 72.41 H new ATOM 0 HD21 ASN A 49 -2.501 12.601 -3.426 1.00 34.42 H new ATOM 0 HD22 ASN A 49 -1.729 11.020 -3.271 1.00 34.42 H new ATOM 828 N PRO A 50 -5.434 6.701 -3.275 1.00 44.24 N ATOM 829 CA PRO A 50 -5.651 5.233 -3.452 1.00 41.30 C ATOM 830 C PRO A 50 -4.974 4.668 -4.732 1.00 22.20 C ATOM 831 O PRO A 50 -4.666 3.476 -4.799 1.00 0.12 O ATOM 832 CB PRO A 50 -7.195 5.106 -3.512 1.00 3.30 C ATOM 833 CG PRO A 50 -7.665 6.442 -4.013 1.00 24.44 C ATOM 834 CD PRO A 50 -6.712 7.463 -3.422 1.00 32.20 C ATOM 0 HA PRO A 50 -5.202 4.652 -2.647 1.00 41.30 H new ATOM 0 HB2 PRO A 50 -7.501 4.302 -4.181 1.00 3.30 H new ATOM 0 HB3 PRO A 50 -7.613 4.881 -2.531 1.00 3.30 H new ATOM 0 HG2 PRO A 50 -7.651 6.478 -5.102 1.00 24.44 H new ATOM 0 HG3 PRO A 50 -8.691 6.638 -3.701 1.00 24.44 H new ATOM 0 HD2 PRO A 50 -6.592 8.326 -4.076 1.00 32.20 H new ATOM 0 HD3 PRO A 50 -7.069 7.838 -2.463 1.00 32.20 H new ATOM 842 N ASN A 51 -4.756 5.550 -5.735 1.00 61.35 N ATOM 843 CA ASN A 51 -3.997 5.221 -6.962 1.00 64.03 C ATOM 844 C ASN A 51 -2.509 4.979 -6.620 1.00 51.25 C ATOM 845 O ASN A 51 -1.921 3.991 -7.036 1.00 12.52 O ATOM 846 CB ASN A 51 -4.120 6.361 -8.011 1.00 1.32 C ATOM 847 CG ASN A 51 -5.565 6.689 -8.412 1.00 15.22 C ATOM 848 OD1 ASN A 51 -6.491 6.621 -7.608 1.00 1.40 O ATOM 849 ND2 ASN A 51 -5.775 7.045 -9.664 1.00 43.03 N ATOM 0 H ASN A 51 -5.102 6.509 -5.715 1.00 61.35 H new ATOM 0 HA ASN A 51 -4.419 4.311 -7.389 1.00 64.03 H new ATOM 0 HB2 ASN A 51 -3.652 7.261 -7.611 1.00 1.32 H new ATOM 0 HB3 ASN A 51 -3.561 6.081 -8.904 1.00 1.32 H new ATOM 0 HD21 ASN A 51 -6.719 7.269 -9.979 1.00 43.03 H new ATOM 0 HD22 ASN A 51 -4.994 7.096 -10.318 1.00 43.03 H new ATOM 856 N GLN A 52 -1.930 5.896 -5.819 1.00 22.35 N ATOM 857 CA GLN A 52 -0.529 5.799 -5.333 1.00 55.22 C ATOM 858 C GLN A 52 -0.293 4.521 -4.484 1.00 12.14 C ATOM 859 O GLN A 52 0.811 3.962 -4.484 1.00 23.14 O ATOM 860 CB GLN A 52 -0.176 7.065 -4.503 1.00 41.42 C ATOM 861 CG GLN A 52 -0.102 8.376 -5.313 1.00 31.42 C ATOM 862 CD GLN A 52 1.063 8.417 -6.308 1.00 35.54 C ATOM 863 OE1 GLN A 52 2.115 7.808 -6.094 1.00 52.10 O ATOM 864 NE2 GLN A 52 0.900 9.152 -7.393 1.00 2.50 N ATOM 0 H GLN A 52 -2.418 6.728 -5.487 1.00 22.35 H new ATOM 0 HA GLN A 52 0.123 5.734 -6.204 1.00 55.22 H new ATOM 0 HB2 GLN A 52 -0.920 7.184 -3.715 1.00 41.42 H new ATOM 0 HB3 GLN A 52 0.784 6.904 -4.013 1.00 41.42 H new ATOM 0 HG2 GLN A 52 -1.037 8.511 -5.856 1.00 31.42 H new ATOM 0 HG3 GLN A 52 -0.010 9.215 -4.623 1.00 31.42 H new ATOM 0 HE21 GLN A 52 0.021 9.646 -7.547 1.00 2.50 H new ATOM 0 HE22 GLN A 52 1.653 9.226 -8.077 1.00 2.50 H new ATOM 873 N VAL A 53 -1.340 4.094 -3.759 1.00 1.25 N ATOM 874 CA VAL A 53 -1.321 2.871 -2.922 1.00 12.02 C ATOM 875 C VAL A 53 -1.405 1.580 -3.788 1.00 15.04 C ATOM 876 O VAL A 53 -0.649 0.621 -3.559 1.00 31.45 O ATOM 877 CB VAL A 53 -2.496 2.900 -1.869 1.00 61.22 C ATOM 878 CG1 VAL A 53 -2.575 1.586 -1.061 1.00 64.01 C ATOM 879 CG2 VAL A 53 -2.362 4.122 -0.920 1.00 63.12 C ATOM 0 H VAL A 53 -2.232 4.588 -3.733 1.00 1.25 H new ATOM 0 HA VAL A 53 -0.370 2.854 -2.390 1.00 12.02 H new ATOM 0 HB VAL A 53 -3.427 2.998 -2.427 1.00 61.22 H new ATOM 0 HG11 VAL A 53 -3.397 1.647 -0.347 1.00 64.01 H new ATOM 0 HG12 VAL A 53 -2.745 0.751 -1.740 1.00 64.01 H new ATOM 0 HG13 VAL A 53 -1.639 1.432 -0.524 1.00 64.01 H new ATOM 0 HG21 VAL A 53 -3.184 4.119 -0.204 1.00 63.12 H new ATOM 0 HG22 VAL A 53 -1.414 4.065 -0.385 1.00 63.12 H new ATOM 0 HG23 VAL A 53 -2.394 5.042 -1.504 1.00 63.12 H new ATOM 889 N SER A 54 -2.321 1.571 -4.782 1.00 42.12 N ATOM 890 CA SER A 54 -2.526 0.405 -5.691 1.00 62.23 C ATOM 891 C SER A 54 -1.268 0.130 -6.544 1.00 11.02 C ATOM 892 O SER A 54 -0.862 -1.026 -6.718 1.00 24.44 O ATOM 893 CB SER A 54 -3.753 0.626 -6.612 1.00 71.43 C ATOM 894 OG SER A 54 -3.583 1.759 -7.448 1.00 74.23 O ATOM 0 H SER A 54 -2.937 2.360 -4.981 1.00 42.12 H new ATOM 0 HA SER A 54 -2.713 -0.466 -5.063 1.00 62.23 H new ATOM 0 HB2 SER A 54 -3.911 -0.260 -7.227 1.00 71.43 H new ATOM 0 HB3 SER A 54 -4.647 0.754 -6.002 1.00 71.43 H new ATOM 0 HG SER A 54 -3.026 2.423 -6.990 1.00 74.23 H new ATOM 900 N GLU A 55 -0.661 1.220 -7.056 1.00 41.05 N ATOM 901 CA GLU A 55 0.640 1.181 -7.760 1.00 51.23 C ATOM 902 C GLU A 55 1.763 0.648 -6.842 1.00 2.33 C ATOM 903 O GLU A 55 2.592 -0.162 -7.269 1.00 73.50 O ATOM 904 CB GLU A 55 1.020 2.600 -8.266 1.00 44.54 C ATOM 905 CG GLU A 55 0.060 3.188 -9.321 1.00 25.42 C ATOM 906 CD GLU A 55 0.448 4.613 -9.758 1.00 61.43 C ATOM 907 OE1 GLU A 55 1.308 4.749 -10.657 1.00 32.00 O ATOM 908 OE2 GLU A 55 -0.073 5.600 -9.181 1.00 13.04 O ATOM 0 H GLU A 55 -1.060 2.157 -6.993 1.00 41.05 H new ATOM 0 HA GLU A 55 0.535 0.504 -8.608 1.00 51.23 H new ATOM 0 HB2 GLU A 55 1.058 3.277 -7.412 1.00 44.54 H new ATOM 0 HB3 GLU A 55 2.024 2.563 -8.689 1.00 44.54 H new ATOM 0 HG2 GLU A 55 0.046 2.537 -10.195 1.00 25.42 H new ATOM 0 HG3 GLU A 55 -0.952 3.201 -8.917 1.00 25.42 H new ATOM 915 N ARG A 56 1.751 1.090 -5.566 1.00 4.14 N ATOM 916 CA ARG A 56 2.823 0.780 -4.597 1.00 64.05 C ATOM 917 C ARG A 56 2.903 -0.726 -4.299 1.00 52.30 C ATOM 918 O ARG A 56 3.994 -1.278 -4.244 1.00 10.44 O ATOM 919 CB ARG A 56 2.642 1.591 -3.280 1.00 40.32 C ATOM 920 CG ARG A 56 3.952 1.832 -2.483 1.00 21.45 C ATOM 921 CD ARG A 56 5.018 2.552 -3.342 1.00 74.33 C ATOM 922 NE ARG A 56 4.433 3.680 -4.105 1.00 74.03 N ATOM 923 CZ ARG A 56 4.655 3.960 -5.378 1.00 21.23 C ATOM 924 NH1 ARG A 56 5.559 3.330 -6.064 1.00 41.31 N ATOM 925 NH2 ARG A 56 3.964 4.892 -5.948 1.00 4.21 N ATOM 0 H ARG A 56 1.003 1.668 -5.181 1.00 4.14 H new ATOM 0 HA ARG A 56 3.766 1.078 -5.056 1.00 64.05 H new ATOM 0 HB2 ARG A 56 2.197 2.556 -3.522 1.00 40.32 H new ATOM 0 HB3 ARG A 56 1.934 1.065 -2.639 1.00 40.32 H new ATOM 0 HG2 ARG A 56 3.735 2.428 -1.597 1.00 21.45 H new ATOM 0 HG3 ARG A 56 4.348 0.878 -2.136 1.00 21.45 H new ATOM 0 HD2 ARG A 56 5.816 2.922 -2.698 1.00 74.33 H new ATOM 0 HD3 ARG A 56 5.471 1.841 -4.033 1.00 74.33 H new ATOM 0 HE ARG A 56 3.799 4.299 -3.600 1.00 74.03 H new ATOM 0 HH11 ARG A 56 6.118 2.600 -5.622 1.00 41.31 H new ATOM 0 HH12 ARG A 56 5.711 3.565 -7.045 1.00 41.31 H new ATOM 0 HH21 ARG A 56 3.258 5.401 -5.416 1.00 4.21 H new ATOM 0 HH22 ARG A 56 4.125 5.118 -6.929 1.00 4.21 H new ATOM 939 N PHE A 57 1.731 -1.368 -4.120 1.00 44.15 N ATOM 940 CA PHE A 57 1.605 -2.842 -3.967 1.00 15.45 C ATOM 941 C PHE A 57 2.338 -3.601 -5.108 1.00 63.33 C ATOM 942 O PHE A 57 3.135 -4.516 -4.863 1.00 63.12 O ATOM 943 CB PHE A 57 0.089 -3.224 -3.930 1.00 52.12 C ATOM 944 CG PHE A 57 -0.239 -4.727 -4.041 1.00 41.15 C ATOM 945 CD1 PHE A 57 0.430 -5.671 -3.260 1.00 53.34 C ATOM 946 CD2 PHE A 57 -1.223 -5.189 -4.922 1.00 3.15 C ATOM 947 CE1 PHE A 57 0.136 -7.018 -3.357 1.00 22.20 C ATOM 948 CE2 PHE A 57 -1.517 -6.538 -5.017 1.00 71.42 C ATOM 949 CZ PHE A 57 -0.838 -7.452 -4.236 1.00 73.44 C ATOM 0 H PHE A 57 0.836 -0.880 -4.076 1.00 44.15 H new ATOM 0 HA PHE A 57 2.080 -3.139 -3.032 1.00 15.45 H new ATOM 0 HB2 PHE A 57 -0.336 -2.849 -2.999 1.00 52.12 H new ATOM 0 HB3 PHE A 57 -0.415 -2.703 -4.744 1.00 52.12 H new ATOM 0 HD1 PHE A 57 1.191 -5.343 -2.567 1.00 53.34 H new ATOM 0 HD2 PHE A 57 -1.761 -4.483 -5.537 1.00 3.15 H new ATOM 0 HE1 PHE A 57 0.668 -7.732 -2.745 1.00 22.20 H new ATOM 0 HE2 PHE A 57 -2.279 -6.876 -5.703 1.00 71.42 H new ATOM 0 HZ PHE A 57 -1.068 -8.505 -4.312 1.00 73.44 H new ATOM 959 N GLN A 58 2.074 -3.174 -6.347 1.00 13.22 N ATOM 960 CA GLN A 58 2.588 -3.835 -7.565 1.00 1.43 C ATOM 961 C GLN A 58 4.104 -3.579 -7.779 1.00 75.24 C ATOM 962 O GLN A 58 4.826 -4.445 -8.297 1.00 12.21 O ATOM 963 CB GLN A 58 1.762 -3.353 -8.780 1.00 35.31 C ATOM 964 CG GLN A 58 0.240 -3.549 -8.602 1.00 42.00 C ATOM 965 CD GLN A 58 -0.584 -3.142 -9.830 1.00 35.41 C ATOM 966 OE1 GLN A 58 -0.214 -2.239 -10.579 1.00 14.05 O ATOM 967 NE2 GLN A 58 -1.696 -3.813 -10.059 1.00 55.10 N ATOM 0 H GLN A 58 1.495 -2.357 -6.541 1.00 13.22 H new ATOM 0 HA GLN A 58 2.478 -4.913 -7.449 1.00 1.43 H new ATOM 0 HB2 GLN A 58 1.967 -2.297 -8.954 1.00 35.31 H new ATOM 0 HB3 GLN A 58 2.089 -3.892 -9.669 1.00 35.31 H new ATOM 0 HG2 GLN A 58 0.042 -4.596 -8.374 1.00 42.00 H new ATOM 0 HG3 GLN A 58 -0.094 -2.967 -7.743 1.00 42.00 H new ATOM 0 HE21 GLN A 58 -1.982 -4.558 -9.424 1.00 55.10 H new ATOM 0 HE22 GLN A 58 -2.270 -3.587 -10.872 1.00 55.10 H new ATOM 976 N GLN A 59 4.569 -2.389 -7.358 1.00 22.22 N ATOM 977 CA GLN A 59 6.002 -2.019 -7.390 1.00 54.21 C ATOM 978 C GLN A 59 6.789 -2.814 -6.326 1.00 41.34 C ATOM 979 O GLN A 59 7.879 -3.302 -6.597 1.00 74.21 O ATOM 980 CB GLN A 59 6.178 -0.487 -7.168 1.00 64.23 C ATOM 981 CG GLN A 59 5.615 0.420 -8.292 1.00 34.12 C ATOM 982 CD GLN A 59 6.386 0.363 -9.627 1.00 34.31 C ATOM 983 OE1 GLN A 59 6.972 -0.649 -9.998 1.00 14.22 O ATOM 984 NE2 GLN A 59 6.386 1.455 -10.367 1.00 34.45 N ATOM 0 H GLN A 59 3.966 -1.655 -6.986 1.00 22.22 H new ATOM 0 HA GLN A 59 6.400 -2.271 -8.373 1.00 54.21 H new ATOM 0 HB2 GLN A 59 5.694 -0.216 -6.230 1.00 64.23 H new ATOM 0 HB3 GLN A 59 7.241 -0.274 -7.052 1.00 64.23 H new ATOM 0 HG2 GLN A 59 4.578 0.141 -8.477 1.00 34.12 H new ATOM 0 HG3 GLN A 59 5.609 1.451 -7.937 1.00 34.12 H new ATOM 0 HE21 GLN A 59 5.894 2.289 -10.046 1.00 34.45 H new ATOM 0 HE22 GLN A 59 6.878 1.465 -11.261 1.00 34.45 H new ATOM 993 N LEU A 60 6.189 -2.947 -5.131 1.00 22.12 N ATOM 994 CA LEU A 60 6.764 -3.670 -3.966 1.00 11.41 C ATOM 995 C LEU A 60 7.198 -5.109 -4.311 1.00 62.13 C ATOM 996 O LEU A 60 8.289 -5.545 -3.919 1.00 61.04 O ATOM 997 CB LEU A 60 5.730 -3.676 -2.804 1.00 41.51 C ATOM 998 CG LEU A 60 5.803 -2.445 -1.844 1.00 21.41 C ATOM 999 CD1 LEU A 60 4.465 -2.210 -1.108 1.00 22.13 C ATOM 1000 CD2 LEU A 60 6.973 -2.617 -0.844 1.00 2.31 C ATOM 0 H LEU A 60 5.270 -2.549 -4.936 1.00 22.12 H new ATOM 0 HA LEU A 60 7.667 -3.141 -3.661 1.00 11.41 H new ATOM 0 HB2 LEU A 60 4.728 -3.725 -3.230 1.00 41.51 H new ATOM 0 HB3 LEU A 60 5.872 -4.584 -2.217 1.00 41.51 H new ATOM 0 HG LEU A 60 5.990 -1.557 -2.448 1.00 21.41 H new ATOM 0 HD11 LEU A 60 4.558 -1.345 -0.451 1.00 22.13 H new ATOM 0 HD12 LEU A 60 3.676 -2.028 -1.837 1.00 22.13 H new ATOM 0 HD13 LEU A 60 4.216 -3.091 -0.516 1.00 22.13 H new ATOM 0 HD21 LEU A 60 7.014 -1.753 -0.180 1.00 2.31 H new ATOM 0 HD22 LEU A 60 6.818 -3.521 -0.255 1.00 2.31 H new ATOM 0 HD23 LEU A 60 7.911 -2.698 -1.392 1.00 2.31 H new ATOM 1012 N MET A 61 6.333 -5.814 -5.056 1.00 20.42 N ATOM 1013 CA MET A 61 6.599 -7.187 -5.540 1.00 12.35 C ATOM 1014 C MET A 61 7.932 -7.250 -6.345 1.00 61.44 C ATOM 1015 O MET A 61 8.748 -8.169 -6.172 1.00 23.13 O ATOM 1016 CB MET A 61 5.410 -7.663 -6.425 1.00 32.41 C ATOM 1017 CG MET A 61 4.007 -7.603 -5.781 1.00 74.53 C ATOM 1018 SD MET A 61 3.784 -8.729 -4.369 1.00 21.12 S ATOM 1019 CE MET A 61 4.219 -7.708 -2.961 1.00 24.14 C ATOM 0 H MET A 61 5.424 -5.451 -5.343 1.00 20.42 H new ATOM 0 HA MET A 61 6.699 -7.848 -4.679 1.00 12.35 H new ATOM 0 HB2 MET A 61 5.396 -7.058 -7.332 1.00 32.41 H new ATOM 0 HB3 MET A 61 5.602 -8.692 -6.731 1.00 32.41 H new ATOM 0 HG2 MET A 61 3.815 -6.582 -5.451 1.00 74.53 H new ATOM 0 HG3 MET A 61 3.261 -7.838 -6.540 1.00 74.53 H new ATOM 0 HE1 MET A 61 4.223 -8.317 -2.057 1.00 24.14 H new ATOM 0 HE2 MET A 61 5.209 -7.279 -3.114 1.00 24.14 H new ATOM 0 HE3 MET A 61 3.489 -6.906 -2.854 1.00 24.14 H new ATOM 1029 N LYS A 62 8.125 -6.242 -7.212 1.00 22.01 N ATOM 1030 CA LYS A 62 9.338 -6.080 -8.050 1.00 25.42 C ATOM 1031 C LYS A 62 10.560 -5.552 -7.240 1.00 44.04 C ATOM 1032 O LYS A 62 11.710 -5.849 -7.584 1.00 5.42 O ATOM 1033 CB LYS A 62 9.013 -5.126 -9.231 1.00 22.40 C ATOM 1034 CG LYS A 62 7.866 -5.620 -10.146 1.00 64.12 C ATOM 1035 CD LYS A 62 7.495 -4.602 -11.250 1.00 72.34 C ATOM 1036 CE LYS A 62 6.409 -5.129 -12.207 1.00 5.43 C ATOM 1037 NZ LYS A 62 6.059 -4.135 -13.260 1.00 51.10 N ATOM 0 H LYS A 62 7.437 -5.503 -7.357 1.00 22.01 H new ATOM 0 HA LYS A 62 9.621 -7.063 -8.427 1.00 25.42 H new ATOM 0 HB2 LYS A 62 8.748 -4.147 -8.831 1.00 22.40 H new ATOM 0 HB3 LYS A 62 9.912 -4.992 -9.833 1.00 22.40 H new ATOM 0 HG2 LYS A 62 8.159 -6.562 -10.611 1.00 64.12 H new ATOM 0 HG3 LYS A 62 6.985 -5.825 -9.537 1.00 64.12 H new ATOM 0 HD2 LYS A 62 7.147 -3.680 -10.785 1.00 72.34 H new ATOM 0 HD3 LYS A 62 8.388 -4.353 -11.823 1.00 72.34 H new ATOM 0 HE2 LYS A 62 6.757 -6.048 -12.678 1.00 5.43 H new ATOM 0 HE3 LYS A 62 5.515 -5.382 -11.636 1.00 5.43 H new ATOM 0 HZ1 LYS A 62 5.325 -4.531 -13.881 1.00 51.10 H new ATOM 0 HZ2 LYS A 62 5.702 -3.267 -12.813 1.00 51.10 H new ATOM 0 HZ3 LYS A 62 6.905 -3.912 -13.822 1.00 51.10 H new ATOM 1051 N LEU A 63 10.295 -4.757 -6.179 1.00 4.53 N ATOM 1052 CA LEU A 63 11.348 -4.139 -5.326 1.00 41.35 C ATOM 1053 C LEU A 63 12.073 -5.181 -4.442 1.00 12.33 C ATOM 1054 O LEU A 63 13.256 -4.999 -4.119 1.00 55.31 O ATOM 1055 CB LEU A 63 10.755 -3.006 -4.434 1.00 70.15 C ATOM 1056 CG LEU A 63 10.247 -1.729 -5.184 1.00 51.41 C ATOM 1057 CD1 LEU A 63 9.589 -0.719 -4.212 1.00 32.52 C ATOM 1058 CD2 LEU A 63 11.381 -1.065 -6.001 1.00 25.22 C ATOM 0 H LEU A 63 9.347 -4.523 -5.886 1.00 4.53 H new ATOM 0 HA LEU A 63 12.084 -3.709 -6.005 1.00 41.35 H new ATOM 0 HB2 LEU A 63 9.925 -3.420 -3.862 1.00 70.15 H new ATOM 0 HB3 LEU A 63 11.517 -2.701 -3.716 1.00 70.15 H new ATOM 0 HG LEU A 63 9.479 -2.052 -5.887 1.00 51.41 H new ATOM 0 HD11 LEU A 63 9.249 0.154 -4.769 1.00 32.52 H new ATOM 0 HD12 LEU A 63 8.738 -1.189 -3.720 1.00 32.52 H new ATOM 0 HD13 LEU A 63 10.316 -0.410 -3.462 1.00 32.52 H new ATOM 0 HD21 LEU A 63 10.994 -0.182 -6.509 1.00 25.22 H new ATOM 0 HD22 LEU A 63 12.190 -0.773 -5.331 1.00 25.22 H new ATOM 0 HD23 LEU A 63 11.759 -1.772 -6.740 1.00 25.22 H new ATOM 1070 N PHE A 64 11.354 -6.259 -4.044 1.00 11.24 N ATOM 1071 CA PHE A 64 11.954 -7.396 -3.295 1.00 44.30 C ATOM 1072 C PHE A 64 13.133 -8.020 -4.086 1.00 12.45 C ATOM 1073 O PHE A 64 14.248 -8.140 -3.571 1.00 11.53 O ATOM 1074 CB PHE A 64 10.898 -8.495 -2.976 1.00 62.42 C ATOM 1075 CG PHE A 64 9.846 -8.103 -1.932 1.00 32.05 C ATOM 1076 CD1 PHE A 64 10.231 -7.736 -0.643 1.00 62.34 C ATOM 1077 CD2 PHE A 64 8.482 -8.119 -2.226 1.00 53.23 C ATOM 1078 CE1 PHE A 64 9.289 -7.398 0.310 1.00 30.21 C ATOM 1079 CE2 PHE A 64 7.543 -7.779 -1.273 1.00 23.21 C ATOM 1080 CZ PHE A 64 7.948 -7.416 -0.004 1.00 12.02 C ATOM 0 H PHE A 64 10.357 -6.367 -4.228 1.00 11.24 H new ATOM 0 HA PHE A 64 12.328 -6.995 -2.353 1.00 44.30 H new ATOM 0 HB2 PHE A 64 10.387 -8.765 -3.900 1.00 62.42 H new ATOM 0 HB3 PHE A 64 11.419 -9.387 -2.627 1.00 62.42 H new ATOM 0 HD1 PHE A 64 11.280 -7.716 -0.386 1.00 62.34 H new ATOM 0 HD2 PHE A 64 8.155 -8.402 -3.216 1.00 53.23 H new ATOM 0 HE1 PHE A 64 9.605 -7.119 1.304 1.00 30.21 H new ATOM 0 HE2 PHE A 64 6.492 -7.797 -1.520 1.00 23.21 H new ATOM 0 HZ PHE A 64 7.214 -7.147 0.741 1.00 12.02 H new ATOM 1090 N GLU A 65 12.862 -8.394 -5.350 1.00 13.23 N ATOM 1091 CA GLU A 65 13.877 -8.975 -6.257 1.00 4.24 C ATOM 1092 C GLU A 65 14.877 -7.895 -6.763 1.00 43.41 C ATOM 1093 O GLU A 65 16.033 -8.216 -7.069 1.00 42.25 O ATOM 1094 CB GLU A 65 13.178 -9.671 -7.459 1.00 31.14 C ATOM 1095 CG GLU A 65 12.199 -10.802 -7.061 1.00 20.32 C ATOM 1096 CD GLU A 65 11.554 -11.501 -8.276 1.00 62.40 C ATOM 1097 OE1 GLU A 65 10.584 -10.953 -8.848 1.00 73.22 O ATOM 1098 OE2 GLU A 65 12.015 -12.601 -8.669 1.00 44.42 O ATOM 0 H GLU A 65 11.938 -8.304 -5.773 1.00 13.23 H new ATOM 0 HA GLU A 65 14.448 -9.715 -5.695 1.00 4.24 H new ATOM 0 HB2 GLU A 65 12.633 -8.920 -8.032 1.00 31.14 H new ATOM 0 HB3 GLU A 65 13.941 -10.083 -8.119 1.00 31.14 H new ATOM 0 HG2 GLU A 65 12.732 -11.542 -6.464 1.00 20.32 H new ATOM 0 HG3 GLU A 65 11.414 -10.388 -6.428 1.00 20.32 H new ATOM 1105 N LYS A 66 14.403 -6.625 -6.838 1.00 53.43 N ATOM 1106 CA LYS A 66 15.196 -5.446 -7.283 1.00 44.44 C ATOM 1107 C LYS A 66 15.686 -5.626 -8.749 1.00 3.34 C ATOM 1108 O LYS A 66 16.831 -6.025 -9.008 1.00 24.10 O ATOM 1109 CB LYS A 66 16.365 -5.162 -6.284 1.00 25.23 C ATOM 1110 CG LYS A 66 17.235 -3.918 -6.590 1.00 32.23 C ATOM 1111 CD LYS A 66 18.373 -3.719 -5.549 1.00 61.52 C ATOM 1112 CE LYS A 66 19.319 -2.554 -5.904 1.00 10.31 C ATOM 1113 NZ LYS A 66 18.599 -1.258 -6.052 1.00 13.43 N ATOM 0 H LYS A 66 13.444 -6.386 -6.587 1.00 53.43 H new ATOM 0 HA LYS A 66 14.553 -4.566 -7.278 1.00 44.44 H new ATOM 0 HB2 LYS A 66 15.943 -5.048 -5.285 1.00 25.23 H new ATOM 0 HB3 LYS A 66 17.014 -6.037 -6.258 1.00 25.23 H new ATOM 0 HG2 LYS A 66 17.670 -4.018 -7.585 1.00 32.23 H new ATOM 0 HG3 LYS A 66 16.602 -3.031 -6.606 1.00 32.23 H new ATOM 0 HD2 LYS A 66 17.933 -3.536 -4.569 1.00 61.52 H new ATOM 0 HD3 LYS A 66 18.952 -4.639 -5.472 1.00 61.52 H new ATOM 0 HE2 LYS A 66 20.078 -2.457 -5.128 1.00 10.31 H new ATOM 0 HE3 LYS A 66 19.841 -2.784 -6.833 1.00 10.31 H new ATOM 0 HZ1 LYS A 66 19.283 -0.502 -6.257 1.00 13.43 H new ATOM 0 HZ2 LYS A 66 17.916 -1.328 -6.833 1.00 13.43 H new ATOM 0 HZ3 LYS A 66 18.095 -1.038 -5.169 1.00 13.43 H new ATOM 1127 N SER A 67 14.767 -5.377 -9.699 1.00 44.34 N ATOM 1128 CA SER A 67 15.013 -5.576 -11.156 1.00 2.33 C ATOM 1129 C SER A 67 14.576 -4.332 -11.982 1.00 62.31 C ATOM 1130 O SER A 67 14.350 -4.419 -13.196 1.00 73.24 O ATOM 1131 CB SER A 67 14.266 -6.860 -11.627 1.00 70.41 C ATOM 1132 OG SER A 67 14.543 -7.171 -12.990 1.00 74.45 O ATOM 0 H SER A 67 13.831 -5.032 -9.488 1.00 44.34 H new ATOM 0 HA SER A 67 16.083 -5.702 -11.323 1.00 2.33 H new ATOM 0 HB2 SER A 67 14.558 -7.700 -10.997 1.00 70.41 H new ATOM 0 HB3 SER A 67 13.192 -6.722 -11.498 1.00 70.41 H new ATOM 0 HG SER A 67 14.553 -6.346 -13.518 1.00 74.45 H new ATOM 1138 N LYS A 68 14.505 -3.154 -11.318 1.00 52.55 N ATOM 1139 CA LYS A 68 14.082 -1.876 -11.956 1.00 72.14 C ATOM 1140 C LYS A 68 15.133 -0.755 -11.734 1.00 32.34 C ATOM 1141 O LYS A 68 15.136 -0.089 -10.692 1.00 14.54 O ATOM 1142 CB LYS A 68 12.697 -1.418 -11.407 1.00 51.52 C ATOM 1143 CG LYS A 68 11.521 -2.373 -11.715 1.00 52.40 C ATOM 1144 CD LYS A 68 10.164 -1.835 -11.193 1.00 63.20 C ATOM 1145 CE LYS A 68 9.745 -0.503 -11.856 1.00 42.03 C ATOM 1146 NZ LYS A 68 9.513 -0.637 -13.322 1.00 44.54 N ATOM 0 H LYS A 68 14.737 -3.058 -10.329 1.00 52.55 H new ATOM 0 HA LYS A 68 13.998 -2.059 -13.027 1.00 72.14 H new ATOM 0 HB2 LYS A 68 12.774 -1.298 -10.326 1.00 51.52 H new ATOM 0 HB3 LYS A 68 12.466 -0.437 -11.821 1.00 51.52 H new ATOM 0 HG2 LYS A 68 11.456 -2.528 -12.792 1.00 52.40 H new ATOM 0 HG3 LYS A 68 11.720 -3.345 -11.264 1.00 52.40 H new ATOM 0 HD2 LYS A 68 9.391 -2.582 -11.372 1.00 63.20 H new ATOM 0 HD3 LYS A 68 10.227 -1.693 -10.114 1.00 63.20 H new ATOM 0 HE2 LYS A 68 8.835 -0.136 -11.381 1.00 42.03 H new ATOM 0 HE3 LYS A 68 10.519 0.244 -11.682 1.00 42.03 H new ATOM 0 HZ1 LYS A 68 9.186 0.272 -13.706 1.00 44.54 H new ATOM 0 HZ2 LYS A 68 10.400 -0.912 -13.790 1.00 44.54 H new ATOM 0 HZ3 LYS A 68 8.791 -1.365 -13.494 1.00 44.54 H new ATOM 1160 N CYS A 69 16.043 -0.579 -12.713 1.00 22.45 N ATOM 1161 CA CYS A 69 16.983 0.568 -12.753 1.00 3.30 C ATOM 1162 C CYS A 69 16.358 1.725 -13.566 1.00 23.11 C ATOM 1163 O CYS A 69 16.515 1.794 -14.795 1.00 24.01 O ATOM 1164 CB CYS A 69 18.349 0.153 -13.364 1.00 34.24 C ATOM 1165 SG CYS A 69 19.273 -1.066 -12.396 1.00 34.51 S ATOM 0 H CYS A 69 16.150 -1.223 -13.497 1.00 22.45 H new ATOM 0 HA CYS A 69 17.164 0.902 -11.731 1.00 3.30 H new ATOM 0 HB2 CYS A 69 18.177 -0.250 -14.362 1.00 34.24 H new ATOM 0 HB3 CYS A 69 18.964 1.045 -13.482 1.00 34.24 H new ATOM 0 HG CYS A 69 20.392 -1.340 -12.998 1.00 34.51 H new ATOM 1171 N ARG A 70 15.610 2.614 -12.884 1.00 34.54 N ATOM 1172 CA ARG A 70 14.940 3.766 -13.539 1.00 31.24 C ATOM 1173 C ARG A 70 15.804 5.062 -13.394 1.00 45.42 C ATOM 1174 O ARG A 70 16.595 5.363 -14.318 1.00 37.83 O ATOM 1175 CB ARG A 70 13.500 3.952 -12.957 1.00 54.34 C ATOM 1176 CG ARG A 70 12.615 4.972 -13.724 1.00 4.22 C ATOM 1177 CD ARG A 70 12.426 4.592 -15.210 1.00 21.12 C ATOM 1178 NE ARG A 70 11.528 5.524 -15.923 1.00 31.21 N ATOM 1179 CZ ARG A 70 11.574 5.792 -17.218 1.00 54.24 C ATOM 1180 NH1 ARG A 70 12.520 5.322 -17.974 1.00 61.12 N ATOM 1181 NH2 ARG A 70 10.677 6.558 -17.747 1.00 14.21 N ATOM 1182 OXT ARG A 70 15.719 5.750 -12.346 1.00 37.83 O ATOM 0 H ARG A 70 15.451 2.560 -11.878 1.00 34.54 H new ATOM 0 HA ARG A 70 14.842 3.564 -14.606 1.00 31.24 H new ATOM 0 HB2 ARG A 70 12.997 2.985 -12.954 1.00 54.34 H new ATOM 0 HB3 ARG A 70 13.582 4.272 -11.918 1.00 54.34 H new ATOM 0 HG2 ARG A 70 11.640 5.036 -13.242 1.00 4.22 H new ATOM 0 HG3 ARG A 70 13.068 5.961 -13.660 1.00 4.22 H new ATOM 0 HD2 ARG A 70 13.397 4.579 -15.705 1.00 21.12 H new ATOM 0 HD3 ARG A 70 12.021 3.582 -15.275 1.00 21.12 H new ATOM 0 HE ARG A 70 10.814 6.000 -15.372 1.00 31.21 H new ATOM 0 HH11 ARG A 70 13.249 4.732 -17.572 1.00 61.12 H new ATOM 0 HH12 ARG A 70 12.534 5.543 -18.970 1.00 61.12 H new ATOM 0 HH21 ARG A 70 9.937 6.953 -17.167 1.00 14.21 H new ATOM 0 HH22 ARG A 70 10.709 6.767 -18.745 1.00 14.21 H new TER 1196 ARG A 70