USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 694 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 42 ASN : amide:sc= 0.728 K(o=1.9,f=1.4) USER MOD Set 1.2: A 81 THR OG1 : rot 123:sc= 1.81 USER MOD Set 1.3: A 83 SER OG : rot 91:sc= -0.629 USER MOD Set 2.1: A 40 GLN : amide:sc= -2.19! K(o=-2!,f=-2.9) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.167 X(o=-2,f=-2.2) USER MOD Set 3.1: A 17 SER OG : rot -38:sc= 0.27 USER MOD Set 3.2: A 87 GLN :FLIP amide:sc= 0.25 F(o=-0.89,f=0.52) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0757 (180deg=-0.49) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -106:sc= 0.0995 (180deg=-1.91!) USER MOD Single : A 4 SER OG : rot -25:sc= 0.305 USER MOD Single : A 6 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00132) USER MOD Single : A 8 LYS NZ :NH3+ -129:sc= 1.08 (180deg=0.0376) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0.0176 (180deg=0.0176) USER MOD Single : A 13 MET CE :methyl -154:sc= -0.194 (180deg=-0.586) USER MOD Single : A 15 CYS SG : rot 77:sc= -1.22 USER MOD Single : A 20 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.0516 X(o=-0.052,f=-0.22) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -74:sc= 1.63 USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= 1.11 (180deg=0.635) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0256 F(o=-1.1,f=-0.026) USER MOD Single : A 37 THR OG1 : rot 70:sc= 1.22 USER MOD Single : A 38 TYR OH : rot 30:sc= -0.0676 USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.013) USER MOD Single : A 50 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -27:sc= 0.101 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.02 F(o=-1.6!,f=-0.02) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 CYS SG : rot 170:sc= -1.84 USER MOD Single : A 67 SER OG : rot 180:sc= 0.00431 USER MOD Single : A 68 GLN : amide:sc= -0.525 X(o=-0.52,f=-0.17) USER MOD Single : A 73 TYR OH : rot 152:sc= 1.04 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 180:sc= -1.82! USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 82 LYS NZ :NH3+ 168:sc= 0.304 (180deg=0.215) USER MOD Single : A 86 ASN : amide:sc= -3.32! C(o=-3.3!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.634 4.257 -0.200 1.00 0.00 N ATOM 2 CA MET A 1 15.406 4.736 -1.368 1.00 0.00 C ATOM 3 C MET A 1 15.481 3.631 -2.435 1.00 0.00 C ATOM 4 O MET A 1 16.176 2.622 -2.252 1.00 0.00 O ATOM 5 CB MET A 1 16.831 5.169 -0.926 1.00 0.00 C ATOM 6 CG MET A 1 17.725 5.724 -2.048 1.00 0.00 C ATOM 7 SD MET A 1 19.372 6.197 -1.464 1.00 0.00 S ATOM 8 CE MET A 1 18.988 7.503 -0.292 1.00 0.00 C ATOM 0 H1 MET A 1 14.587 5.009 0.517 1.00 0.00 H new ATOM 0 H2 MET A 1 13.671 4.005 -0.500 1.00 0.00 H new ATOM 0 H3 MET A 1 15.101 3.421 0.205 1.00 0.00 H new ATOM 0 HA MET A 1 14.902 5.601 -1.799 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.738 5.928 -0.149 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.331 4.311 -0.476 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.824 4.973 -2.832 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.241 6.591 -2.497 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.891 8.072 -0.072 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.236 8.166 -0.720 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.603 7.064 0.628 1.00 0.00 H new ATOM 20 N LYS A 2 14.727 3.812 -3.531 1.00 0.00 N ATOM 21 CA LYS A 2 14.788 2.933 -4.704 1.00 0.00 C ATOM 22 C LYS A 2 15.677 3.590 -5.775 1.00 0.00 C ATOM 23 O LYS A 2 15.192 4.346 -6.625 1.00 0.00 O ATOM 24 CB LYS A 2 13.373 2.648 -5.270 1.00 0.00 C ATOM 25 CG LYS A 2 12.402 1.926 -4.319 1.00 0.00 C ATOM 26 CD LYS A 2 11.076 1.479 -5.004 1.00 0.00 C ATOM 27 CE LYS A 2 10.260 2.631 -5.647 1.00 0.00 C ATOM 28 NZ LYS A 2 10.806 3.079 -6.959 1.00 0.00 N ATOM 0 H LYS A 2 14.057 4.575 -3.626 1.00 0.00 H new ATOM 0 HA LYS A 2 15.216 1.976 -4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.924 3.596 -5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.478 2.049 -6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.899 1.050 -3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.166 2.586 -3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.310 0.744 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.451 0.978 -4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.229 2.305 -5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.239 3.478 -4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.279 3.998 -6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.491 2.379 -7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.029 3.174 -7.644 1.00 0.00 H new ATOM 42 N ASP A 3 16.990 3.368 -5.665 1.00 0.00 N ATOM 43 CA ASP A 3 17.988 3.875 -6.634 1.00 0.00 C ATOM 44 C ASP A 3 18.451 2.754 -7.593 1.00 0.00 C ATOM 45 O ASP A 3 18.830 3.021 -8.733 1.00 0.00 O ATOM 46 CB ASP A 3 19.202 4.491 -5.879 1.00 0.00 C ATOM 47 CG ASP A 3 19.960 3.474 -5.004 1.00 0.00 C ATOM 48 OD1 ASP A 3 19.429 3.080 -3.939 1.00 0.00 O ATOM 49 OD2 ASP A 3 21.071 3.043 -5.387 1.00 0.00 O ATOM 0 H ASP A 3 17.400 2.830 -4.901 1.00 0.00 H new ATOM 0 HA ASP A 3 17.518 4.653 -7.236 1.00 0.00 H new ATOM 0 HB2 ASP A 3 19.892 4.920 -6.605 1.00 0.00 H new ATOM 0 HB3 ASP A 3 18.852 5.310 -5.250 1.00 0.00 H new ATOM 54 N SER A 4 18.416 1.501 -7.113 1.00 0.00 N ATOM 55 CA SER A 4 18.992 0.334 -7.824 1.00 0.00 C ATOM 56 C SER A 4 17.965 -0.360 -8.759 1.00 0.00 C ATOM 57 O SER A 4 18.322 -1.285 -9.494 1.00 0.00 O ATOM 58 CB SER A 4 19.535 -0.665 -6.772 1.00 0.00 C ATOM 59 OG SER A 4 20.226 -1.757 -7.368 1.00 0.00 O ATOM 0 H SER A 4 17.988 1.261 -6.219 1.00 0.00 H new ATOM 0 HA SER A 4 19.799 0.686 -8.466 1.00 0.00 H new ATOM 0 HB2 SER A 4 20.206 -0.142 -6.091 1.00 0.00 H new ATOM 0 HB3 SER A 4 18.707 -1.045 -6.174 1.00 0.00 H new ATOM 0 HG SER A 4 19.897 -1.893 -8.281 1.00 0.00 H new ATOM 65 N ASP A 5 16.705 0.103 -8.741 1.00 0.00 N ATOM 66 CA ASP A 5 15.582 -0.579 -9.440 1.00 0.00 C ATOM 67 C ASP A 5 15.284 0.042 -10.822 1.00 0.00 C ATOM 68 O ASP A 5 14.541 -0.540 -11.589 1.00 0.00 O ATOM 69 CB ASP A 5 14.300 -0.544 -8.557 1.00 0.00 C ATOM 70 CG ASP A 5 13.644 0.848 -8.438 1.00 0.00 C ATOM 71 OD1 ASP A 5 14.379 1.861 -8.344 1.00 0.00 O ATOM 72 OD2 ASP A 5 12.387 0.932 -8.404 1.00 0.00 O ATOM 0 H ASP A 5 16.428 0.952 -8.249 1.00 0.00 H new ATOM 0 HA ASP A 5 15.888 -1.612 -9.606 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.571 -1.242 -8.969 1.00 0.00 H new ATOM 0 HB3 ASP A 5 14.552 -0.900 -7.558 1.00 0.00 H new ATOM 77 N LYS A 6 15.851 1.231 -11.116 1.00 0.00 N ATOM 78 CA LYS A 6 15.639 1.950 -12.415 1.00 0.00 C ATOM 79 C LYS A 6 16.066 1.111 -13.650 1.00 0.00 C ATOM 80 O LYS A 6 15.536 1.277 -14.752 1.00 0.00 O ATOM 81 CB LYS A 6 16.358 3.343 -12.374 1.00 0.00 C ATOM 82 CG LYS A 6 17.785 3.360 -11.744 1.00 0.00 C ATOM 83 CD LYS A 6 18.891 2.723 -12.619 1.00 0.00 C ATOM 84 CE LYS A 6 20.219 2.544 -11.863 1.00 0.00 C ATOM 85 NZ LYS A 6 20.761 3.833 -11.356 1.00 0.00 N ATOM 0 H LYS A 6 16.467 1.727 -10.472 1.00 0.00 H new ATOM 0 HA LYS A 6 14.568 2.111 -12.534 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.428 3.723 -13.393 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.729 4.038 -11.817 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.060 4.393 -11.531 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.751 2.836 -10.789 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.549 1.753 -12.979 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.059 3.348 -13.496 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.068 1.862 -11.026 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.951 2.080 -12.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.664 3.662 -10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.915 4.483 -12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.084 4.257 -10.690 1.00 0.00 H new ATOM 99 N GLU A 7 17.021 0.215 -13.425 1.00 0.00 N ATOM 100 CA GLU A 7 17.587 -0.694 -14.450 1.00 0.00 C ATOM 101 C GLU A 7 16.710 -1.958 -14.627 1.00 0.00 C ATOM 102 O GLU A 7 16.742 -2.613 -15.672 1.00 0.00 O ATOM 103 CB GLU A 7 19.024 -1.069 -14.014 1.00 0.00 C ATOM 104 CG GLU A 7 19.101 -1.619 -12.568 1.00 0.00 C ATOM 105 CD GLU A 7 20.524 -1.838 -12.046 1.00 0.00 C ATOM 106 OE1 GLU A 7 21.365 -0.921 -12.171 1.00 0.00 O ATOM 107 OE2 GLU A 7 20.812 -2.931 -11.513 1.00 0.00 O ATOM 0 H GLU A 7 17.443 0.087 -12.505 1.00 0.00 H new ATOM 0 HA GLU A 7 17.609 -0.192 -15.417 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.422 -1.816 -14.701 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.662 -0.189 -14.095 1.00 0.00 H new ATOM 0 HG2 GLU A 7 18.586 -0.927 -11.902 1.00 0.00 H new ATOM 0 HG3 GLU A 7 18.562 -2.565 -12.524 1.00 0.00 H new ATOM 114 N LYS A 8 15.933 -2.273 -13.575 1.00 0.00 N ATOM 115 CA LYS A 8 15.004 -3.421 -13.521 1.00 0.00 C ATOM 116 C LYS A 8 13.568 -2.878 -13.292 1.00 0.00 C ATOM 117 O LYS A 8 12.708 -3.527 -12.680 1.00 0.00 O ATOM 118 CB LYS A 8 15.483 -4.370 -12.370 1.00 0.00 C ATOM 119 CG LYS A 8 14.737 -5.724 -12.246 1.00 0.00 C ATOM 120 CD LYS A 8 15.278 -6.590 -11.083 1.00 0.00 C ATOM 121 CE LYS A 8 14.567 -7.952 -10.949 1.00 0.00 C ATOM 122 NZ LYS A 8 14.811 -8.846 -12.116 1.00 0.00 N ATOM 0 H LYS A 8 15.932 -1.723 -12.716 1.00 0.00 H new ATOM 0 HA LYS A 8 14.994 -3.993 -14.449 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.544 -4.575 -12.514 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.386 -3.837 -11.424 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.674 -5.538 -12.093 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.832 -6.276 -13.181 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.345 -6.759 -11.232 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.170 -6.039 -10.149 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.908 -8.447 -10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.495 -7.788 -10.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.903 -9.203 -12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.295 -8.313 -12.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.406 -9.647 -11.822 1.00 0.00 H new ATOM 136 N GLU A 9 13.314 -1.670 -13.839 1.00 0.00 N ATOM 137 CA GLU A 9 12.064 -0.913 -13.619 1.00 0.00 C ATOM 138 C GLU A 9 10.877 -1.568 -14.350 1.00 0.00 C ATOM 139 O GLU A 9 11.063 -2.226 -15.374 1.00 0.00 O ATOM 140 CB GLU A 9 12.245 0.560 -14.101 1.00 0.00 C ATOM 141 CG GLU A 9 11.077 1.501 -13.747 1.00 0.00 C ATOM 142 CD GLU A 9 11.232 2.924 -14.311 1.00 0.00 C ATOM 143 OE1 GLU A 9 11.903 3.766 -13.665 1.00 0.00 O ATOM 144 OE2 GLU A 9 10.679 3.211 -15.396 1.00 0.00 O ATOM 0 H GLU A 9 13.975 -1.190 -14.450 1.00 0.00 H new ATOM 0 HA GLU A 9 11.845 -0.920 -12.551 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.161 0.960 -13.666 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.379 0.560 -15.183 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.149 1.070 -14.123 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.985 1.558 -12.662 1.00 0.00 H new ATOM 151 N ASN A 10 9.665 -1.389 -13.793 1.00 0.00 N ATOM 152 CA ASN A 10 8.397 -1.839 -14.411 1.00 0.00 C ATOM 153 C ASN A 10 8.056 -0.976 -15.638 1.00 0.00 C ATOM 154 O ASN A 10 8.528 0.162 -15.759 1.00 0.00 O ATOM 155 CB ASN A 10 7.233 -1.798 -13.384 1.00 0.00 C ATOM 156 CG ASN A 10 7.474 -2.665 -12.146 1.00 0.00 C ATOM 157 OD1 ASN A 10 8.163 -3.687 -12.203 1.00 0.00 O ATOM 158 ND2 ASN A 10 6.891 -2.269 -11.021 1.00 0.00 N ATOM 0 H ASN A 10 9.534 -0.925 -12.894 1.00 0.00 H new ATOM 0 HA ASN A 10 8.530 -2.871 -14.736 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.074 -0.767 -13.069 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.316 -2.126 -13.874 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.006 -2.815 -10.167 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.328 -1.418 -11.010 1.00 0.00 H new ATOM 165 N GLY A 11 7.229 -1.524 -16.538 1.00 0.00 N ATOM 166 CA GLY A 11 7.020 -0.927 -17.860 1.00 0.00 C ATOM 167 C GLY A 11 8.122 -1.367 -18.809 1.00 0.00 C ATOM 168 O GLY A 11 8.623 -0.581 -19.622 1.00 0.00 O ATOM 0 H GLY A 11 6.696 -2.378 -16.374 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.049 -1.226 -18.254 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.010 0.160 -17.780 1.00 0.00 H new ATOM 172 N LYS A 12 8.502 -2.648 -18.657 1.00 0.00 N ATOM 173 CA LYS A 12 9.649 -3.263 -19.338 1.00 0.00 C ATOM 174 C LYS A 12 9.353 -3.438 -20.837 1.00 0.00 C ATOM 175 O LYS A 12 8.821 -4.469 -21.263 1.00 0.00 O ATOM 176 CB LYS A 12 9.965 -4.634 -18.665 1.00 0.00 C ATOM 177 CG LYS A 12 10.052 -4.586 -17.123 1.00 0.00 C ATOM 178 CD LYS A 12 10.213 -5.980 -16.478 1.00 0.00 C ATOM 179 CE LYS A 12 10.189 -5.924 -14.939 1.00 0.00 C ATOM 180 NZ LYS A 12 11.312 -5.121 -14.392 1.00 0.00 N ATOM 0 H LYS A 12 8.008 -3.296 -18.044 1.00 0.00 H new ATOM 0 HA LYS A 12 10.520 -2.614 -19.248 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.195 -5.351 -18.951 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.910 -5.008 -19.058 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.895 -3.959 -16.833 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.152 -4.113 -16.730 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.413 -6.633 -16.827 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.153 -6.423 -16.808 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.243 -5.497 -14.607 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.239 -6.937 -14.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.257 -5.110 -13.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.216 -5.543 -14.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.250 -4.147 -14.752 1.00 0.00 H new ATOM 194 N MET A 13 9.640 -2.385 -21.612 1.00 0.00 N ATOM 195 CA MET A 13 9.439 -2.381 -23.068 1.00 0.00 C ATOM 196 C MET A 13 10.673 -2.960 -23.772 1.00 0.00 C ATOM 197 O MET A 13 11.689 -3.254 -23.121 1.00 0.00 O ATOM 198 CB MET A 13 9.134 -0.932 -23.567 1.00 0.00 C ATOM 199 CG MET A 13 10.291 0.080 -23.424 1.00 0.00 C ATOM 200 SD MET A 13 11.637 -0.216 -24.602 1.00 0.00 S ATOM 201 CE MET A 13 12.834 1.023 -24.145 1.00 0.00 C ATOM 0 H MET A 13 10.018 -1.511 -21.248 1.00 0.00 H new ATOM 0 HA MET A 13 8.582 -3.009 -23.312 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.846 -0.982 -24.617 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.273 -0.552 -23.018 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.904 1.089 -23.568 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.686 0.032 -22.409 1.00 0.00 H new ATOM 0 HE1 MET A 13 13.453 1.267 -25.008 1.00 0.00 H new ATOM 0 HE2 MET A 13 12.317 1.920 -23.804 1.00 0.00 H new ATOM 0 HE3 MET A 13 13.465 0.641 -23.343 1.00 0.00 H new ATOM 211 N GLY A 14 10.567 -3.131 -25.096 1.00 0.00 N ATOM 212 CA GLY A 14 11.713 -3.451 -25.941 1.00 0.00 C ATOM 213 C GLY A 14 12.157 -4.905 -25.891 1.00 0.00 C ATOM 214 O GLY A 14 13.260 -5.232 -26.343 1.00 0.00 O ATOM 0 H GLY A 14 9.687 -3.051 -25.605 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.469 -3.196 -26.972 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.551 -2.820 -25.646 1.00 0.00 H new ATOM 218 N CYS A 15 11.328 -5.781 -25.318 1.00 0.00 N ATOM 219 CA CYS A 15 11.579 -7.222 -25.350 1.00 0.00 C ATOM 220 C CYS A 15 11.025 -7.784 -26.662 1.00 0.00 C ATOM 221 O CYS A 15 9.816 -8.029 -26.796 1.00 0.00 O ATOM 222 CB CYS A 15 10.947 -7.921 -24.144 1.00 0.00 C ATOM 223 SG CYS A 15 11.181 -9.713 -24.131 1.00 0.00 S ATOM 0 H CYS A 15 10.475 -5.516 -24.825 1.00 0.00 H new ATOM 0 HA CYS A 15 12.652 -7.405 -25.297 1.00 0.00 H new ATOM 0 HB2 CYS A 15 11.370 -7.503 -23.231 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.879 -7.704 -24.129 1.00 0.00 H new ATOM 0 HG CYS A 15 12.397 -9.989 -23.764 1.00 0.00 H new ATOM 229 N TRP A 16 11.906 -7.906 -27.656 1.00 0.00 N ATOM 230 CA TRP A 16 11.566 -8.449 -28.972 1.00 0.00 C ATOM 231 C TRP A 16 12.062 -9.895 -29.066 1.00 0.00 C ATOM 232 O TRP A 16 12.852 -10.356 -28.223 1.00 0.00 O ATOM 233 CB TRP A 16 12.213 -7.582 -30.092 1.00 0.00 C ATOM 234 CG TRP A 16 12.016 -6.093 -29.906 1.00 0.00 C ATOM 235 CD1 TRP A 16 10.847 -5.394 -30.027 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.018 -5.128 -29.549 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.064 -4.064 -29.765 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.384 -3.878 -29.468 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.389 -5.201 -29.286 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.071 -2.715 -29.133 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.070 -4.045 -28.952 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.412 -2.817 -28.883 1.00 0.00 C ATOM 0 H TRP A 16 12.884 -7.628 -27.570 1.00 0.00 H new ATOM 0 HA TRP A 16 10.484 -8.431 -29.104 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.281 -7.795 -30.131 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.794 -7.877 -31.054 1.00 0.00 H new ATOM 0 HD1 TRP A 16 9.892 -5.825 -30.290 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.354 -3.332 -29.788 1.00 0.00 H new ATOM 0 HE3 TRP A 16 14.908 -6.146 -29.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 12.563 -1.764 -29.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.128 -4.094 -28.741 1.00 0.00 H new ATOM 0 HH2 TRP A 16 14.972 -1.930 -28.627 1.00 0.00 H new ATOM 253 N SER A 17 11.574 -10.608 -30.080 1.00 0.00 N ATOM 254 CA SER A 17 12.149 -11.893 -30.485 1.00 0.00 C ATOM 255 C SER A 17 13.515 -11.647 -31.149 1.00 0.00 C ATOM 256 O SER A 17 13.741 -10.566 -31.711 1.00 0.00 O ATOM 257 CB SER A 17 11.195 -12.610 -31.460 1.00 0.00 C ATOM 258 OG SER A 17 9.936 -12.845 -30.847 1.00 0.00 O ATOM 0 H SER A 17 10.774 -10.315 -30.642 1.00 0.00 H new ATOM 0 HA SER A 17 12.286 -12.528 -29.610 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.061 -12.005 -32.357 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.634 -13.556 -31.776 1.00 0.00 H new ATOM 0 HG SER A 17 10.070 -13.095 -29.909 1.00 0.00 H new ATOM 264 N ILE A 18 14.415 -12.639 -31.078 1.00 0.00 N ATOM 265 CA ILE A 18 15.732 -12.580 -31.749 1.00 0.00 C ATOM 266 C ILE A 18 15.535 -12.343 -33.262 1.00 0.00 C ATOM 267 O ILE A 18 16.243 -11.538 -33.876 1.00 0.00 O ATOM 268 CB ILE A 18 16.547 -13.909 -31.520 1.00 0.00 C ATOM 269 CG1 ILE A 18 16.772 -14.191 -29.990 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.881 -13.906 -32.312 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.528 -13.116 -29.224 1.00 0.00 C ATOM 0 H ILE A 18 14.257 -13.502 -30.558 1.00 0.00 H new ATOM 0 HA ILE A 18 16.298 -11.754 -31.318 1.00 0.00 H new ATOM 0 HB ILE A 18 15.948 -14.731 -31.912 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.799 -14.331 -29.519 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.313 -15.132 -29.889 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.415 -14.838 -32.129 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.671 -13.811 -33.377 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.495 -13.066 -31.987 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.626 -13.414 -28.180 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.519 -12.988 -29.659 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.982 -12.175 -29.283 1.00 0.00 H new ATOM 283 N GLU A 19 14.531 -13.038 -33.826 1.00 0.00 N ATOM 284 CA GLU A 19 14.174 -12.927 -35.244 1.00 0.00 C ATOM 285 C GLU A 19 13.549 -11.557 -35.573 1.00 0.00 C ATOM 286 O GLU A 19 13.796 -11.026 -36.649 1.00 0.00 O ATOM 287 CB GLU A 19 13.259 -14.093 -35.681 1.00 0.00 C ATOM 288 CG GLU A 19 13.972 -15.464 -35.702 1.00 0.00 C ATOM 289 CD GLU A 19 13.153 -16.575 -36.393 1.00 0.00 C ATOM 290 OE1 GLU A 19 13.214 -16.687 -37.637 1.00 0.00 O ATOM 291 OE2 GLU A 19 12.443 -17.334 -35.699 1.00 0.00 O ATOM 0 H GLU A 19 13.946 -13.693 -33.307 1.00 0.00 H new ATOM 0 HA GLU A 19 15.097 -12.999 -35.820 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.405 -14.147 -35.005 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.866 -13.882 -36.675 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.929 -15.359 -36.213 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.189 -15.767 -34.678 1.00 0.00 H new ATOM 298 N HIS A 20 12.772 -10.972 -34.639 1.00 0.00 N ATOM 299 CA HIS A 20 12.191 -9.616 -34.844 1.00 0.00 C ATOM 300 C HIS A 20 13.318 -8.579 -34.925 1.00 0.00 C ATOM 301 O HIS A 20 13.318 -7.720 -35.811 1.00 0.00 O ATOM 302 CB HIS A 20 11.202 -9.236 -33.712 1.00 0.00 C ATOM 303 CG HIS A 20 10.547 -7.878 -33.907 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.406 -7.693 -34.662 1.00 0.00 N ATOM 305 CD2 HIS A 20 10.876 -6.645 -33.437 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.065 -6.418 -34.648 1.00 0.00 C ATOM 307 NE2 HIS A 20 9.944 -5.763 -33.912 1.00 0.00 N ATOM 0 H HIS A 20 12.531 -11.403 -33.747 1.00 0.00 H new ATOM 0 HA HIS A 20 11.632 -9.628 -35.780 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.426 -9.999 -33.648 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.733 -9.241 -32.760 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.718 -6.406 -32.805 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.214 -5.985 -35.152 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.930 -4.760 -33.727 1.00 0.00 H new ATOM 316 N VAL A 21 14.276 -8.704 -33.997 1.00 0.00 N ATOM 317 CA VAL A 21 15.476 -7.861 -33.943 1.00 0.00 C ATOM 318 C VAL A 21 16.236 -7.942 -35.271 1.00 0.00 C ATOM 319 O VAL A 21 16.335 -6.948 -35.965 1.00 0.00 O ATOM 320 CB VAL A 21 16.400 -8.288 -32.732 1.00 0.00 C ATOM 321 CG1 VAL A 21 17.823 -7.679 -32.814 1.00 0.00 C ATOM 322 CG2 VAL A 21 15.729 -7.908 -31.396 1.00 0.00 C ATOM 0 H VAL A 21 14.238 -9.402 -33.254 1.00 0.00 H new ATOM 0 HA VAL A 21 15.173 -6.826 -33.784 1.00 0.00 H new ATOM 0 HB VAL A 21 16.520 -9.370 -32.789 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.410 -8.008 -31.956 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.308 -8.009 -33.733 1.00 0.00 H new ATOM 0 HG13 VAL A 21 17.754 -6.591 -32.811 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.372 -8.206 -30.568 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.570 -6.830 -31.362 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.770 -8.419 -31.312 1.00 0.00 H new ATOM 332 N GLU A 22 16.671 -9.155 -35.657 1.00 0.00 N ATOM 333 CA GLU A 22 17.575 -9.349 -36.810 1.00 0.00 C ATOM 334 C GLU A 22 16.916 -8.968 -38.154 1.00 0.00 C ATOM 335 O GLU A 22 17.571 -8.384 -39.023 1.00 0.00 O ATOM 336 CB GLU A 22 18.114 -10.808 -36.856 1.00 0.00 C ATOM 337 CG GLU A 22 17.073 -11.899 -37.132 1.00 0.00 C ATOM 338 CD GLU A 22 17.670 -13.312 -37.161 1.00 0.00 C ATOM 339 OE1 GLU A 22 17.733 -13.977 -36.105 1.00 0.00 O ATOM 340 OE2 GLU A 22 18.097 -13.758 -38.247 1.00 0.00 O ATOM 0 H GLU A 22 16.410 -10.021 -35.186 1.00 0.00 H new ATOM 0 HA GLU A 22 18.415 -8.670 -36.665 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.885 -10.866 -37.625 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.597 -11.026 -35.903 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.298 -11.855 -36.366 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.589 -11.697 -38.087 1.00 0.00 H new ATOM 347 N GLN A 23 15.612 -9.274 -38.303 1.00 0.00 N ATOM 348 CA GLN A 23 14.887 -9.091 -39.580 1.00 0.00 C ATOM 349 C GLN A 23 14.381 -7.648 -39.753 1.00 0.00 C ATOM 350 O GLN A 23 14.160 -7.202 -40.884 1.00 0.00 O ATOM 351 CB GLN A 23 13.718 -10.113 -39.701 1.00 0.00 C ATOM 352 CG GLN A 23 14.171 -11.598 -39.694 1.00 0.00 C ATOM 353 CD GLN A 23 15.171 -11.963 -40.797 1.00 0.00 C ATOM 354 OE1 GLN A 23 15.148 -11.403 -41.892 1.00 0.00 O ATOM 355 NE2 GLN A 23 16.076 -12.890 -40.514 1.00 0.00 N ATOM 0 H GLN A 23 15.035 -9.651 -37.551 1.00 0.00 H new ATOM 0 HA GLN A 23 15.594 -9.280 -40.387 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.023 -9.953 -38.877 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.171 -9.916 -40.623 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.619 -11.823 -38.726 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.291 -12.234 -39.794 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.075 -13.341 -39.599 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.773 -13.152 -41.211 1.00 0.00 H new ATOM 364 N TYR A 24 14.180 -6.924 -38.634 1.00 0.00 N ATOM 365 CA TYR A 24 13.772 -5.504 -38.663 1.00 0.00 C ATOM 366 C TYR A 24 14.952 -4.542 -38.397 1.00 0.00 C ATOM 367 O TYR A 24 14.780 -3.334 -38.543 1.00 0.00 O ATOM 368 CB TYR A 24 12.619 -5.245 -37.660 1.00 0.00 C ATOM 369 CG TYR A 24 11.248 -5.732 -38.133 1.00 0.00 C ATOM 370 CD1 TYR A 24 10.937 -7.089 -38.162 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.275 -4.830 -38.573 1.00 0.00 C ATOM 372 CE1 TYR A 24 9.705 -7.529 -38.607 1.00 0.00 C ATOM 373 CE2 TYR A 24 9.045 -5.269 -39.018 1.00 0.00 C ATOM 374 CZ TYR A 24 8.763 -6.617 -39.033 1.00 0.00 C ATOM 375 OH TYR A 24 7.533 -7.056 -39.480 1.00 0.00 O ATOM 0 H TYR A 24 14.294 -7.302 -37.693 1.00 0.00 H new ATOM 0 HA TYR A 24 13.416 -5.298 -39.672 1.00 0.00 H new ATOM 0 HB2 TYR A 24 12.859 -5.734 -36.716 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.562 -4.175 -37.460 1.00 0.00 H new ATOM 0 HD1 TYR A 24 11.671 -7.809 -37.831 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.490 -3.772 -38.564 1.00 0.00 H new ATOM 0 HE1 TYR A 24 9.480 -8.585 -38.621 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.305 -4.557 -39.354 1.00 0.00 H new ATOM 0 HH TYR A 24 6.986 -6.286 -39.742 1.00 0.00 H new ATOM 385 N LEU A 25 16.136 -5.063 -38.004 1.00 0.00 N ATOM 386 CA LEU A 25 17.336 -4.215 -37.789 1.00 0.00 C ATOM 387 C LEU A 25 17.779 -3.584 -39.118 1.00 0.00 C ATOM 388 O LEU A 25 18.158 -4.291 -40.054 1.00 0.00 O ATOM 389 CB LEU A 25 18.517 -5.002 -37.127 1.00 0.00 C ATOM 390 CG LEU A 25 18.679 -4.838 -35.578 1.00 0.00 C ATOM 391 CD1 LEU A 25 19.881 -5.646 -35.054 1.00 0.00 C ATOM 392 CD2 LEU A 25 18.796 -3.348 -35.187 1.00 0.00 C ATOM 0 H LEU A 25 16.288 -6.056 -37.830 1.00 0.00 H new ATOM 0 HA LEU A 25 17.057 -3.426 -37.090 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.388 -6.062 -37.347 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.446 -4.689 -37.603 1.00 0.00 H new ATOM 0 HG LEU A 25 17.781 -5.238 -35.106 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.967 -5.512 -33.976 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.734 -6.703 -35.278 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.793 -5.296 -35.537 1.00 0.00 H new ATOM 0 HD21 LEU A 25 18.907 -3.263 -34.106 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.666 -2.910 -35.677 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.897 -2.818 -35.502 1.00 0.00 H new ATOM 404 N GLY A 26 17.700 -2.250 -39.177 1.00 0.00 N ATOM 405 CA GLY A 26 18.040 -1.490 -40.379 1.00 0.00 C ATOM 406 C GLY A 26 16.848 -0.724 -40.929 1.00 0.00 C ATOM 407 O GLY A 26 17.024 0.199 -41.729 1.00 0.00 O ATOM 0 H GLY A 26 17.399 -1.671 -38.393 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.845 -0.791 -40.150 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.417 -2.170 -41.143 1.00 0.00 H new ATOM 411 N THR A 27 15.626 -1.108 -40.503 1.00 0.00 N ATOM 412 CA THR A 27 14.396 -0.372 -40.852 1.00 0.00 C ATOM 413 C THR A 27 14.221 0.825 -39.895 1.00 0.00 C ATOM 414 O THR A 27 15.031 1.028 -38.980 1.00 0.00 O ATOM 415 CB THR A 27 13.119 -1.293 -40.788 1.00 0.00 C ATOM 416 OG1 THR A 27 12.807 -1.635 -39.428 1.00 0.00 O ATOM 417 CG2 THR A 27 13.289 -2.591 -41.600 1.00 0.00 C ATOM 0 H THR A 27 15.467 -1.926 -39.915 1.00 0.00 H new ATOM 0 HA THR A 27 14.499 -0.020 -41.879 1.00 0.00 H new ATOM 0 HB THR A 27 12.304 -0.718 -41.227 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.455 -2.293 -39.099 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.381 -3.190 -41.523 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.473 -2.345 -42.646 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.133 -3.158 -41.207 1.00 0.00 H new ATOM 425 N ASP A 28 13.174 1.628 -40.126 1.00 0.00 N ATOM 426 CA ASP A 28 12.761 2.704 -39.196 1.00 0.00 C ATOM 427 C ASP A 28 11.841 2.136 -38.086 1.00 0.00 C ATOM 428 O ASP A 28 11.578 2.806 -37.082 1.00 0.00 O ATOM 429 CB ASP A 28 12.037 3.848 -39.969 1.00 0.00 C ATOM 430 CG ASP A 28 10.686 3.420 -40.583 1.00 0.00 C ATOM 431 OD1 ASP A 28 10.675 2.472 -41.402 1.00 0.00 O ATOM 432 OD2 ASP A 28 9.642 4.032 -40.265 1.00 0.00 O ATOM 0 H ASP A 28 12.587 1.556 -40.957 1.00 0.00 H new ATOM 0 HA ASP A 28 13.655 3.116 -38.728 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.870 4.684 -39.290 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.690 4.208 -40.764 1.00 0.00 H new ATOM 437 N GLU A 29 11.350 0.893 -38.293 1.00 0.00 N ATOM 438 CA GLU A 29 10.453 0.198 -37.353 1.00 0.00 C ATOM 439 C GLU A 29 11.249 -0.377 -36.179 1.00 0.00 C ATOM 440 O GLU A 29 10.797 -0.326 -35.038 1.00 0.00 O ATOM 441 CB GLU A 29 9.680 -0.922 -38.088 1.00 0.00 C ATOM 442 CG GLU A 29 8.867 -0.421 -39.295 1.00 0.00 C ATOM 443 CD GLU A 29 8.050 -1.534 -39.959 1.00 0.00 C ATOM 444 OE1 GLU A 29 8.641 -2.341 -40.708 1.00 0.00 O ATOM 445 OE2 GLU A 29 6.819 -1.606 -39.738 1.00 0.00 O ATOM 0 H GLU A 29 11.569 0.344 -39.124 1.00 0.00 H new ATOM 0 HA GLU A 29 9.734 0.916 -36.958 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.388 -1.678 -38.426 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.006 -1.409 -37.383 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.195 0.374 -38.971 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.545 0.014 -40.029 1.00 0.00 H new ATOM 452 N LEU A 30 12.429 -0.934 -36.481 1.00 0.00 N ATOM 453 CA LEU A 30 13.411 -1.353 -35.469 1.00 0.00 C ATOM 454 C LEU A 30 14.775 -0.806 -35.925 1.00 0.00 C ATOM 455 O LEU A 30 15.566 -1.530 -36.550 1.00 0.00 O ATOM 456 CB LEU A 30 13.420 -2.910 -35.298 1.00 0.00 C ATOM 457 CG LEU A 30 13.844 -3.500 -33.911 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.301 -3.175 -33.526 1.00 0.00 C ATOM 459 CD2 LEU A 30 12.860 -3.047 -32.823 1.00 0.00 C ATOM 0 H LEU A 30 12.732 -1.108 -37.439 1.00 0.00 H new ATOM 0 HA LEU A 30 13.159 -0.956 -34.486 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.418 -3.275 -35.523 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.087 -3.324 -36.054 1.00 0.00 H new ATOM 0 HG LEU A 30 13.803 -4.586 -34.000 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.527 -3.614 -32.554 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.976 -3.587 -34.276 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.431 -2.094 -33.475 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.163 -3.463 -31.862 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.859 -1.959 -32.764 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.858 -3.398 -33.070 1.00 0.00 H new ATOM 471 N PRO A 31 15.049 0.516 -35.689 1.00 0.00 N ATOM 472 CA PRO A 31 16.328 1.118 -36.070 1.00 0.00 C ATOM 473 C PRO A 31 17.474 0.615 -35.175 1.00 0.00 C ATOM 474 O PRO A 31 17.251 0.198 -34.028 1.00 0.00 O ATOM 475 CB PRO A 31 16.068 2.638 -35.925 1.00 0.00 C ATOM 476 CG PRO A 31 14.982 2.757 -34.908 1.00 0.00 C ATOM 477 CD PRO A 31 14.133 1.508 -35.048 1.00 0.00 C ATOM 0 HA PRO A 31 16.648 0.856 -37.079 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.968 3.162 -35.603 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.766 3.078 -36.876 1.00 0.00 H new ATOM 0 HG2 PRO A 31 15.397 2.835 -33.903 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.386 3.654 -35.078 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.779 1.156 -34.079 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.251 1.692 -35.662 1.00 0.00 H new ATOM 485 N LYS A 32 18.694 0.652 -35.729 1.00 0.00 N ATOM 486 CA LYS A 32 19.919 0.223 -35.032 1.00 0.00 C ATOM 487 C LYS A 32 20.110 1.034 -33.737 1.00 0.00 C ATOM 488 O LYS A 32 20.483 0.483 -32.700 1.00 0.00 O ATOM 489 CB LYS A 32 21.135 0.375 -35.979 1.00 0.00 C ATOM 490 CG LYS A 32 21.095 -0.547 -37.223 1.00 0.00 C ATOM 491 CD LYS A 32 22.334 -0.382 -38.137 1.00 0.00 C ATOM 492 CE LYS A 32 22.465 1.037 -38.715 1.00 0.00 C ATOM 493 NZ LYS A 32 23.649 1.177 -39.603 1.00 0.00 N ATOM 0 H LYS A 32 18.862 0.982 -36.679 1.00 0.00 H new ATOM 0 HA LYS A 32 19.830 -0.827 -34.753 1.00 0.00 H new ATOM 0 HB2 LYS A 32 21.194 1.411 -36.311 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.046 0.168 -35.417 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.026 -1.585 -36.897 1.00 0.00 H new ATOM 0 HG3 LYS A 32 20.194 -0.333 -37.799 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.233 -0.622 -37.569 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.273 -1.099 -38.956 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.563 1.284 -39.275 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.540 1.754 -37.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.479 1.939 -40.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.487 1.407 -39.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 23.810 0.283 -40.110 1.00 0.00 H new ATOM 507 N ASN A 33 19.785 2.338 -33.831 1.00 0.00 N ATOM 508 CA ASN A 33 19.749 3.280 -32.689 1.00 0.00 C ATOM 509 C ASN A 33 18.937 2.699 -31.516 1.00 0.00 C ATOM 510 O ASN A 33 19.428 2.644 -30.393 1.00 0.00 O ATOM 511 CB ASN A 33 19.133 4.639 -33.152 1.00 0.00 C ATOM 512 CG ASN A 33 18.824 5.652 -32.028 1.00 0.00 C ATOM 513 OD1 ASN A 33 19.631 5.686 -30.977 1.00 0.00 O flip ATOM 514 ND2 ASN A 33 17.863 6.414 -32.115 1.00 0.00 N flip ATOM 0 H ASN A 33 19.535 2.777 -34.717 1.00 0.00 H new ATOM 0 HA ASN A 33 20.769 3.443 -32.341 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.819 5.106 -33.858 1.00 0.00 H new ATOM 0 HB3 ASN A 33 18.210 4.433 -33.694 1.00 0.00 H new ATOM 0 HD21 ASN A 33 17.253 6.374 -32.931 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.676 7.086 -31.371 1.00 0.00 H new ATOM 521 N ASP A 34 17.716 2.244 -31.824 1.00 0.00 N ATOM 522 CA ASP A 34 16.721 1.791 -30.822 1.00 0.00 C ATOM 523 C ASP A 34 17.180 0.506 -30.102 1.00 0.00 C ATOM 524 O ASP A 34 16.947 0.341 -28.898 1.00 0.00 O ATOM 525 CB ASP A 34 15.368 1.567 -31.527 1.00 0.00 C ATOM 526 CG ASP A 34 14.232 1.115 -30.595 1.00 0.00 C ATOM 527 OD1 ASP A 34 13.737 1.941 -29.793 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.813 -0.055 -30.665 1.00 0.00 O ATOM 0 H ASP A 34 17.380 2.176 -32.785 1.00 0.00 H new ATOM 0 HA ASP A 34 16.617 2.562 -30.059 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.071 2.493 -32.019 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.499 0.819 -32.309 1.00 0.00 H new ATOM 533 N LEU A 35 17.842 -0.389 -30.855 1.00 0.00 N ATOM 534 CA LEU A 35 18.410 -1.647 -30.313 1.00 0.00 C ATOM 535 C LEU A 35 19.504 -1.306 -29.273 1.00 0.00 C ATOM 536 O LEU A 35 19.478 -1.789 -28.130 1.00 0.00 O ATOM 537 CB LEU A 35 18.972 -2.513 -31.493 1.00 0.00 C ATOM 538 CG LEU A 35 19.314 -4.027 -31.225 1.00 0.00 C ATOM 539 CD1 LEU A 35 20.593 -4.232 -30.389 1.00 0.00 C ATOM 540 CD2 LEU A 35 18.120 -4.759 -30.593 1.00 0.00 C ATOM 0 H LEU A 35 18.001 -0.266 -31.855 1.00 0.00 H new ATOM 0 HA LEU A 35 17.639 -2.230 -29.809 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.245 -2.477 -32.304 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.879 -2.029 -31.856 1.00 0.00 H new ATOM 0 HG LEU A 35 19.519 -4.466 -32.202 1.00 0.00 H new ATOM 0 HD11 LEU A 35 20.766 -5.298 -30.244 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.443 -3.794 -30.912 1.00 0.00 H new ATOM 0 HD13 LEU A 35 20.475 -3.749 -29.419 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.384 -5.802 -30.419 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.864 -4.286 -29.645 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.264 -4.709 -31.266 1.00 0.00 H new ATOM 552 N ILE A 36 20.439 -0.441 -29.702 1.00 0.00 N ATOM 553 CA ILE A 36 21.558 0.054 -28.866 1.00 0.00 C ATOM 554 C ILE A 36 21.024 0.781 -27.612 1.00 0.00 C ATOM 555 O ILE A 36 21.587 0.644 -26.527 1.00 0.00 O ATOM 556 CB ILE A 36 22.474 1.025 -29.710 1.00 0.00 C ATOM 557 CG1 ILE A 36 23.054 0.284 -30.958 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.622 1.646 -28.870 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.654 1.192 -32.021 1.00 0.00 C ATOM 0 H ILE A 36 20.444 -0.059 -30.648 1.00 0.00 H new ATOM 0 HA ILE A 36 22.150 -0.801 -28.540 1.00 0.00 H new ATOM 0 HB ILE A 36 21.840 1.848 -30.041 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.820 -0.415 -30.623 1.00 0.00 H new ATOM 0 HG13 ILE A 36 22.259 -0.308 -31.413 1.00 0.00 H new ATOM 0 HG21 ILE A 36 24.219 2.304 -29.501 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.200 2.219 -28.044 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.254 0.851 -28.474 1.00 0.00 H new ATOM 0 HD11 ILE A 36 24.030 0.587 -32.846 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.889 1.875 -32.390 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.474 1.766 -31.589 1.00 0.00 H new ATOM 571 N THR A 37 19.915 1.523 -27.799 1.00 0.00 N ATOM 572 CA THR A 37 19.253 2.288 -26.732 1.00 0.00 C ATOM 573 C THR A 37 18.746 1.352 -25.618 1.00 0.00 C ATOM 574 O THR A 37 19.083 1.547 -24.453 1.00 0.00 O ATOM 575 CB THR A 37 18.081 3.158 -27.301 1.00 0.00 C ATOM 576 OG1 THR A 37 18.598 4.116 -28.242 1.00 0.00 O ATOM 577 CG2 THR A 37 17.309 3.906 -26.200 1.00 0.00 C ATOM 0 H THR A 37 19.452 1.607 -28.704 1.00 0.00 H new ATOM 0 HA THR A 37 19.992 2.963 -26.301 1.00 0.00 H new ATOM 0 HB THR A 37 17.386 2.474 -27.788 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.902 3.651 -29.049 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.509 4.493 -26.651 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.882 3.186 -25.502 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.989 4.570 -25.666 1.00 0.00 H new ATOM 585 N TYR A 38 17.975 0.313 -26.003 1.00 0.00 N ATOM 586 CA TYR A 38 17.465 -0.710 -25.058 1.00 0.00 C ATOM 587 C TYR A 38 18.632 -1.352 -24.286 1.00 0.00 C ATOM 588 O TYR A 38 18.573 -1.485 -23.067 1.00 0.00 O ATOM 589 CB TYR A 38 16.646 -1.790 -25.820 1.00 0.00 C ATOM 590 CG TYR A 38 16.230 -3.036 -24.985 1.00 0.00 C ATOM 591 CD1 TYR A 38 17.089 -4.131 -24.864 1.00 0.00 C ATOM 592 CD2 TYR A 38 14.993 -3.126 -24.346 1.00 0.00 C ATOM 593 CE1 TYR A 38 16.739 -5.256 -24.156 1.00 0.00 C ATOM 594 CE2 TYR A 38 14.643 -4.266 -23.624 1.00 0.00 C ATOM 595 CZ TYR A 38 15.524 -5.318 -23.539 1.00 0.00 C ATOM 596 OH TYR A 38 15.180 -6.452 -22.837 1.00 0.00 O ATOM 0 H TYR A 38 17.689 0.158 -26.970 1.00 0.00 H new ATOM 0 HA TYR A 38 16.804 -0.225 -24.339 1.00 0.00 H new ATOM 0 HB2 TYR A 38 15.744 -1.323 -26.216 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.232 -2.128 -26.675 1.00 0.00 H new ATOM 0 HD1 TYR A 38 18.057 -4.092 -25.341 1.00 0.00 H new ATOM 0 HD2 TYR A 38 14.298 -2.302 -24.412 1.00 0.00 H new ATOM 0 HE1 TYR A 38 17.424 -6.088 -24.088 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.683 -4.323 -23.133 1.00 0.00 H new ATOM 0 HH TYR A 38 15.989 -6.870 -22.474 1.00 0.00 H new ATOM 606 N LEU A 39 19.690 -1.728 -25.023 1.00 0.00 N ATOM 607 CA LEU A 39 20.883 -2.378 -24.441 1.00 0.00 C ATOM 608 C LEU A 39 21.545 -1.489 -23.370 1.00 0.00 C ATOM 609 O LEU A 39 21.887 -1.976 -22.310 1.00 0.00 O ATOM 610 CB LEU A 39 21.896 -2.793 -25.558 1.00 0.00 C ATOM 611 CG LEU A 39 21.781 -4.271 -26.082 1.00 0.00 C ATOM 612 CD1 LEU A 39 20.337 -4.651 -26.457 1.00 0.00 C ATOM 613 CD2 LEU A 39 22.730 -4.515 -27.269 1.00 0.00 C ATOM 0 H LEU A 39 19.746 -1.593 -26.032 1.00 0.00 H new ATOM 0 HA LEU A 39 20.556 -3.289 -23.940 1.00 0.00 H new ATOM 0 HB2 LEU A 39 21.769 -2.118 -26.404 1.00 0.00 H new ATOM 0 HB3 LEU A 39 22.906 -2.641 -25.178 1.00 0.00 H new ATOM 0 HG LEU A 39 22.081 -4.918 -25.258 1.00 0.00 H new ATOM 0 HD11 LEU A 39 20.313 -5.681 -26.813 1.00 0.00 H new ATOM 0 HD12 LEU A 39 19.696 -4.554 -25.581 1.00 0.00 H new ATOM 0 HD13 LEU A 39 19.979 -3.987 -27.244 1.00 0.00 H new ATOM 0 HD21 LEU A 39 22.629 -5.545 -27.610 1.00 0.00 H new ATOM 0 HD22 LEU A 39 22.476 -3.836 -28.083 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.758 -4.336 -26.955 1.00 0.00 H new ATOM 625 N GLN A 40 21.696 -0.181 -23.637 1.00 0.00 N ATOM 626 CA GLN A 40 22.341 0.748 -22.677 1.00 0.00 C ATOM 627 C GLN A 40 21.389 1.177 -21.548 1.00 0.00 C ATOM 628 O GLN A 40 21.847 1.625 -20.497 1.00 0.00 O ATOM 629 CB GLN A 40 22.996 1.959 -23.402 1.00 0.00 C ATOM 630 CG GLN A 40 22.059 2.838 -24.245 1.00 0.00 C ATOM 631 CD GLN A 40 22.784 3.662 -25.322 1.00 0.00 C ATOM 632 OE1 GLN A 40 22.381 4.771 -25.640 1.00 0.00 O ATOM 633 NE2 GLN A 40 23.816 3.089 -25.940 1.00 0.00 N ATOM 0 H GLN A 40 21.384 0.261 -24.502 1.00 0.00 H new ATOM 0 HA GLN A 40 23.148 0.198 -22.194 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.473 2.590 -22.652 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.787 1.582 -24.051 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.315 2.203 -24.726 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.519 3.516 -23.584 1.00 0.00 H new ATOM 0 HE21 GLN A 40 24.131 2.162 -25.654 1.00 0.00 H new ATOM 0 HE22 GLN A 40 24.291 3.577 -26.699 1.00 0.00 H new ATOM 642 N LYS A 41 20.072 1.024 -21.762 1.00 0.00 N ATOM 643 CA LYS A 41 19.066 1.276 -20.706 1.00 0.00 C ATOM 644 C LYS A 41 19.081 0.137 -19.670 1.00 0.00 C ATOM 645 O LYS A 41 19.145 0.377 -18.454 1.00 0.00 O ATOM 646 CB LYS A 41 17.637 1.407 -21.307 1.00 0.00 C ATOM 647 CG LYS A 41 17.375 2.704 -22.103 1.00 0.00 C ATOM 648 CD LYS A 41 15.957 2.739 -22.730 1.00 0.00 C ATOM 649 CE LYS A 41 14.839 2.684 -21.672 1.00 0.00 C ATOM 650 NZ LYS A 41 14.834 3.881 -20.802 1.00 0.00 N ATOM 0 H LYS A 41 19.675 0.728 -22.654 1.00 0.00 H new ATOM 0 HA LYS A 41 19.327 2.216 -20.220 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.456 0.555 -21.962 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.912 1.345 -20.496 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.498 3.563 -21.443 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.120 2.799 -22.893 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.848 3.648 -23.321 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.846 1.898 -23.415 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.874 2.595 -22.170 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.965 1.792 -21.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.025 3.833 -20.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.718 3.916 -20.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.756 4.736 -21.389 1.00 0.00 H new ATOM 664 N ASN A 42 19.030 -1.104 -20.179 1.00 0.00 N ATOM 665 CA ASN A 42 18.762 -2.303 -19.367 1.00 0.00 C ATOM 666 C ASN A 42 20.058 -2.987 -18.866 1.00 0.00 C ATOM 667 O ASN A 42 20.024 -3.703 -17.858 1.00 0.00 O ATOM 668 CB ASN A 42 17.879 -3.281 -20.191 1.00 0.00 C ATOM 669 CG ASN A 42 16.437 -2.768 -20.384 1.00 0.00 C ATOM 670 OD1 ASN A 42 15.553 -3.047 -19.571 1.00 0.00 O ATOM 671 ND2 ASN A 42 16.183 -2.022 -21.451 1.00 0.00 N ATOM 0 H ASN A 42 19.174 -1.305 -21.169 1.00 0.00 H new ATOM 0 HA ASN A 42 18.227 -1.998 -18.467 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.336 -3.441 -21.167 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.851 -4.248 -19.690 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.241 -1.667 -21.612 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.930 -1.804 -22.110 1.00 0.00 H new ATOM 678 N ALA A 43 21.190 -2.794 -19.574 1.00 0.00 N ATOM 679 CA ALA A 43 22.509 -3.334 -19.134 1.00 0.00 C ATOM 680 C ALA A 43 23.262 -2.360 -18.216 1.00 0.00 C ATOM 681 O ALA A 43 22.830 -1.221 -17.990 1.00 0.00 O ATOM 682 CB ALA A 43 23.394 -3.686 -20.345 1.00 0.00 C ATOM 0 H ALA A 43 21.226 -2.272 -20.450 1.00 0.00 H new ATOM 0 HA ALA A 43 22.296 -4.239 -18.565 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.350 -4.077 -19.996 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.894 -4.439 -20.954 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.565 -2.791 -20.943 1.00 0.00 H new ATOM 688 N ASP A 44 24.399 -2.853 -17.684 1.00 0.00 N ATOM 689 CA ASP A 44 25.393 -2.034 -16.966 1.00 0.00 C ATOM 690 C ASP A 44 26.388 -1.465 -17.981 1.00 0.00 C ATOM 691 O ASP A 44 26.590 -2.059 -19.048 1.00 0.00 O ATOM 692 CB ASP A 44 26.156 -2.882 -15.915 1.00 0.00 C ATOM 693 CG ASP A 44 25.225 -3.615 -14.934 1.00 0.00 C ATOM 694 OD1 ASP A 44 24.784 -2.997 -13.940 1.00 0.00 O ATOM 695 OD2 ASP A 44 24.909 -4.807 -15.159 1.00 0.00 O ATOM 0 H ASP A 44 24.654 -3.839 -17.742 1.00 0.00 H new ATOM 0 HA ASP A 44 24.877 -1.228 -16.445 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.778 -3.614 -16.431 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.827 -2.233 -15.352 1.00 0.00 H new ATOM 700 N ALA A 45 27.052 -0.357 -17.605 1.00 0.00 N ATOM 701 CA ALA A 45 27.970 0.395 -18.494 1.00 0.00 C ATOM 702 C ALA A 45 29.069 -0.508 -19.099 1.00 0.00 C ATOM 703 O ALA A 45 29.518 -0.274 -20.222 1.00 0.00 O ATOM 704 CB ALA A 45 28.593 1.576 -17.737 1.00 0.00 C ATOM 0 H ALA A 45 26.970 0.048 -16.672 1.00 0.00 H new ATOM 0 HA ALA A 45 27.379 0.777 -19.326 1.00 0.00 H new ATOM 0 HB1 ALA A 45 29.265 2.120 -18.401 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.804 2.244 -17.392 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.153 1.204 -16.879 1.00 0.00 H new ATOM 710 N ALA A 46 29.442 -1.558 -18.344 1.00 0.00 N ATOM 711 CA ALA A 46 30.470 -2.550 -18.727 1.00 0.00 C ATOM 712 C ALA A 46 30.150 -3.240 -20.074 1.00 0.00 C ATOM 713 O ALA A 46 31.036 -3.426 -20.920 1.00 0.00 O ATOM 714 CB ALA A 46 30.596 -3.602 -17.617 1.00 0.00 C ATOM 0 H ALA A 46 29.029 -1.747 -17.430 1.00 0.00 H new ATOM 0 HA ALA A 46 31.414 -2.020 -18.855 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.353 -4.335 -17.895 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.887 -3.116 -16.686 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.638 -4.103 -17.480 1.00 0.00 H new ATOM 720 N PHE A 47 28.869 -3.607 -20.246 1.00 0.00 N ATOM 721 CA PHE A 47 28.372 -4.327 -21.442 1.00 0.00 C ATOM 722 C PHE A 47 28.527 -3.454 -22.696 1.00 0.00 C ATOM 723 O PHE A 47 28.913 -3.929 -23.771 1.00 0.00 O ATOM 724 CB PHE A 47 26.886 -4.711 -21.227 1.00 0.00 C ATOM 725 CG PHE A 47 26.299 -5.679 -22.261 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.461 -7.054 -22.109 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.588 -5.219 -23.376 1.00 0.00 C ATOM 728 CE1 PHE A 47 25.927 -7.938 -23.032 1.00 0.00 C ATOM 729 CE2 PHE A 47 25.055 -6.105 -24.296 1.00 0.00 C ATOM 730 CZ PHE A 47 25.228 -7.463 -24.126 1.00 0.00 C ATOM 0 H PHE A 47 28.141 -3.414 -19.558 1.00 0.00 H new ATOM 0 HA PHE A 47 28.959 -5.234 -21.587 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.783 -5.157 -20.238 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.289 -3.799 -21.229 1.00 0.00 H new ATOM 0 HD1 PHE A 47 27.010 -7.436 -21.261 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.454 -4.157 -23.520 1.00 0.00 H new ATOM 0 HE1 PHE A 47 26.057 -9.002 -22.897 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.504 -5.733 -25.147 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.818 -8.155 -24.847 1.00 0.00 H new ATOM 740 N LEU A 48 28.233 -2.162 -22.528 1.00 0.00 N ATOM 741 CA LEU A 48 28.293 -1.181 -23.616 1.00 0.00 C ATOM 742 C LEU A 48 29.747 -0.794 -23.917 1.00 0.00 C ATOM 743 O LEU A 48 30.079 -0.439 -25.036 1.00 0.00 O ATOM 744 CB LEU A 48 27.444 0.073 -23.280 1.00 0.00 C ATOM 745 CG LEU A 48 25.927 -0.165 -22.967 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.297 -1.246 -23.870 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.679 -0.458 -21.479 1.00 0.00 C ATOM 0 H LEU A 48 27.946 -1.766 -21.633 1.00 0.00 H new ATOM 0 HA LEU A 48 27.872 -1.640 -24.510 1.00 0.00 H new ATOM 0 HB2 LEU A 48 27.895 0.568 -22.420 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.513 0.765 -24.119 1.00 0.00 H new ATOM 0 HG LEU A 48 25.422 0.773 -23.199 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.246 -1.370 -23.610 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.379 -0.942 -24.913 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.820 -2.191 -23.725 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.614 -0.616 -21.312 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.228 -1.353 -21.188 1.00 0.00 H new ATOM 0 HD23 LEU A 48 26.019 0.387 -20.880 1.00 0.00 H new ATOM 759 N ARG A 49 30.605 -0.858 -22.899 1.00 0.00 N ATOM 760 CA ARG A 49 32.055 -0.657 -23.067 1.00 0.00 C ATOM 761 C ARG A 49 32.683 -1.846 -23.826 1.00 0.00 C ATOM 762 O ARG A 49 33.668 -1.676 -24.547 1.00 0.00 O ATOM 763 CB ARG A 49 32.720 -0.447 -21.684 1.00 0.00 C ATOM 764 CG ARG A 49 32.405 0.926 -21.044 1.00 0.00 C ATOM 765 CD ARG A 49 32.759 1.004 -19.547 1.00 0.00 C ATOM 766 NE ARG A 49 34.193 0.749 -19.269 1.00 0.00 N ATOM 767 CZ ARG A 49 34.901 1.300 -18.265 1.00 0.00 C ATOM 768 NH1 ARG A 49 34.365 2.230 -17.482 1.00 0.00 N ATOM 769 NH2 ARG A 49 36.153 0.933 -18.064 1.00 0.00 N ATOM 0 H ARG A 49 30.323 -1.049 -21.938 1.00 0.00 H new ATOM 0 HA ARG A 49 32.227 0.238 -23.665 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.391 -1.237 -21.009 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.800 -0.549 -21.791 1.00 0.00 H new ATOM 0 HG2 ARG A 49 32.953 1.701 -21.579 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.344 1.141 -21.170 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.493 1.991 -19.169 1.00 0.00 H new ATOM 0 HD3 ARG A 49 32.156 0.280 -19.000 1.00 0.00 H new ATOM 0 HE ARG A 49 34.683 0.104 -19.889 1.00 0.00 H new ATOM 0 HH11 ARG A 49 33.404 2.536 -17.637 1.00 0.00 H new ATOM 0 HH12 ARG A 49 34.914 2.638 -16.725 1.00 0.00 H new ATOM 0 HH21 ARG A 49 36.583 0.233 -18.669 1.00 0.00 H new ATOM 0 HH22 ARG A 49 36.691 1.349 -17.304 1.00 0.00 H new ATOM 783 N HIS A 50 32.075 -3.036 -23.667 1.00 0.00 N ATOM 784 CA HIS A 50 32.501 -4.272 -24.356 1.00 0.00 C ATOM 785 C HIS A 50 32.176 -4.197 -25.864 1.00 0.00 C ATOM 786 O HIS A 50 33.079 -4.267 -26.705 1.00 0.00 O ATOM 787 CB HIS A 50 31.811 -5.494 -23.697 1.00 0.00 C ATOM 788 CG HIS A 50 32.216 -6.835 -24.254 1.00 0.00 C ATOM 789 ND1 HIS A 50 33.349 -7.504 -23.839 1.00 0.00 N ATOM 790 CD2 HIS A 50 31.640 -7.631 -25.188 1.00 0.00 C ATOM 791 CE1 HIS A 50 33.443 -8.647 -24.485 1.00 0.00 C ATOM 792 NE2 HIS A 50 32.422 -8.749 -25.308 1.00 0.00 N ATOM 0 H HIS A 50 31.270 -3.170 -23.054 1.00 0.00 H new ATOM 0 HA HIS A 50 33.581 -4.383 -24.259 1.00 0.00 H new ATOM 0 HB2 HIS A 50 32.027 -5.481 -22.629 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.732 -5.384 -23.805 1.00 0.00 H new ATOM 0 HD2 HIS A 50 30.733 -7.422 -25.736 1.00 0.00 H new ATOM 0 HE1 HIS A 50 34.227 -9.379 -24.360 1.00 0.00 H new ATOM 0 HE2 HIS A 50 32.242 -9.534 -25.934 1.00 0.00 H new ATOM 801 N TRP A 51 30.875 -4.024 -26.181 1.00 0.00 N ATOM 802 CA TRP A 51 30.366 -3.988 -27.577 1.00 0.00 C ATOM 803 C TRP A 51 30.557 -2.599 -28.238 1.00 0.00 C ATOM 804 O TRP A 51 30.136 -2.402 -29.385 1.00 0.00 O ATOM 805 CB TRP A 51 28.866 -4.385 -27.595 1.00 0.00 C ATOM 806 CG TRP A 51 28.596 -5.824 -27.228 1.00 0.00 C ATOM 807 CD1 TRP A 51 28.268 -6.323 -26.001 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.631 -6.947 -28.118 1.00 0.00 C ATOM 809 NE1 TRP A 51 28.097 -7.681 -26.074 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.318 -8.090 -27.362 1.00 0.00 C ATOM 811 CE3 TRP A 51 28.894 -7.089 -29.484 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.265 -9.363 -27.927 1.00 0.00 C ATOM 813 CZ3 TRP A 51 28.840 -8.347 -30.046 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.534 -9.475 -29.266 1.00 0.00 C ATOM 0 H TRP A 51 30.144 -3.905 -25.479 1.00 0.00 H new ATOM 0 HA TRP A 51 30.948 -4.703 -28.159 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.324 -3.739 -26.904 1.00 0.00 H new ATOM 0 HB3 TRP A 51 28.465 -4.196 -28.591 1.00 0.00 H new ATOM 0 HD1 TRP A 51 28.159 -5.733 -25.103 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.846 -8.289 -25.295 1.00 0.00 H new ATOM 0 HE3 TRP A 51 29.135 -6.228 -30.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 28.021 -10.230 -27.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.036 -8.467 -31.101 1.00 0.00 H new ATOM 0 HH2 TRP A 51 28.510 -10.449 -29.731 1.00 0.00 H new ATOM 825 N LYS A 52 31.165 -1.646 -27.487 1.00 0.00 N ATOM 826 CA LYS A 52 31.484 -0.267 -27.959 1.00 0.00 C ATOM 827 C LYS A 52 30.199 0.578 -28.166 1.00 0.00 C ATOM 828 O LYS A 52 30.204 1.581 -28.890 1.00 0.00 O ATOM 829 CB LYS A 52 32.388 -0.290 -29.238 1.00 0.00 C ATOM 830 CG LYS A 52 33.774 -0.987 -29.075 1.00 0.00 C ATOM 831 CD LYS A 52 34.912 -0.064 -28.544 1.00 0.00 C ATOM 832 CE LYS A 52 34.785 0.328 -27.058 1.00 0.00 C ATOM 833 NZ LYS A 52 35.925 1.163 -26.601 1.00 0.00 N ATOM 0 H LYS A 52 31.453 -1.812 -26.523 1.00 0.00 H new ATOM 0 HA LYS A 52 32.060 0.222 -27.173 1.00 0.00 H new ATOM 0 HB2 LYS A 52 31.842 -0.791 -30.037 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.555 0.738 -29.561 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.663 -1.831 -28.394 1.00 0.00 H new ATOM 0 HG3 LYS A 52 34.076 -1.394 -30.040 1.00 0.00 H new ATOM 0 HD2 LYS A 52 35.868 -0.567 -28.692 1.00 0.00 H new ATOM 0 HD3 LYS A 52 34.934 0.845 -29.145 1.00 0.00 H new ATOM 0 HE2 LYS A 52 33.853 0.873 -26.906 1.00 0.00 H new ATOM 0 HE3 LYS A 52 34.730 -0.574 -26.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 35.799 1.403 -25.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 36.813 0.635 -26.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 35.963 2.037 -27.164 1.00 0.00 H new ATOM 847 N LEU A 53 29.120 0.187 -27.455 1.00 0.00 N ATOM 848 CA LEU A 53 27.819 0.891 -27.458 1.00 0.00 C ATOM 849 C LEU A 53 27.791 2.027 -26.398 1.00 0.00 C ATOM 850 O LEU A 53 26.736 2.630 -26.158 1.00 0.00 O ATOM 851 CB LEU A 53 26.669 -0.112 -27.161 1.00 0.00 C ATOM 852 CG LEU A 53 26.726 -1.486 -27.888 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.593 -2.399 -27.399 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.697 -1.344 -29.422 1.00 0.00 C ATOM 0 H LEU A 53 29.128 -0.638 -26.855 1.00 0.00 H new ATOM 0 HA LEU A 53 27.682 1.331 -28.446 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.650 -0.297 -26.087 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.725 0.369 -27.418 1.00 0.00 H new ATOM 0 HG LEU A 53 27.682 -1.945 -27.635 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.647 -3.356 -27.918 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.694 -2.562 -26.326 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.632 -1.929 -27.606 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.739 -2.332 -29.880 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.777 -0.843 -29.724 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.554 -0.756 -29.749 1.00 0.00 H new ATOM 866 N THR A 54 28.940 2.287 -25.746 1.00 0.00 N ATOM 867 CA THR A 54 29.069 3.306 -24.683 1.00 0.00 C ATOM 868 C THR A 54 29.186 4.752 -25.246 1.00 0.00 C ATOM 869 O THR A 54 29.055 5.725 -24.487 1.00 0.00 O ATOM 870 CB THR A 54 30.300 2.969 -23.773 1.00 0.00 C ATOM 871 OG1 THR A 54 30.392 3.878 -22.659 1.00 0.00 O ATOM 872 CG2 THR A 54 31.620 2.980 -24.567 1.00 0.00 C ATOM 0 H THR A 54 29.811 1.794 -25.942 1.00 0.00 H new ATOM 0 HA THR A 54 28.154 3.277 -24.091 1.00 0.00 H new ATOM 0 HB THR A 54 30.140 1.961 -23.391 1.00 0.00 H new ATOM 0 HG1 THR A 54 29.981 4.734 -22.901 1.00 0.00 H new ATOM 0 HG21 THR A 54 32.448 2.742 -23.900 1.00 0.00 H new ATOM 0 HG22 THR A 54 31.571 2.238 -25.364 1.00 0.00 H new ATOM 0 HG23 THR A 54 31.776 3.968 -25.000 1.00 0.00 H new ATOM 880 N GLY A 55 29.432 4.883 -26.571 1.00 0.00 N ATOM 881 CA GLY A 55 29.583 6.200 -27.224 1.00 0.00 C ATOM 882 C GLY A 55 28.243 6.881 -27.522 1.00 0.00 C ATOM 883 O GLY A 55 27.236 6.606 -26.854 1.00 0.00 O ATOM 0 H GLY A 55 29.530 4.091 -27.207 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.179 6.850 -26.584 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.136 6.076 -28.155 1.00 0.00 H new ATOM 887 N THR A 56 28.226 7.782 -28.523 1.00 0.00 N ATOM 888 CA THR A 56 26.979 8.406 -29.000 1.00 0.00 C ATOM 889 C THR A 56 26.322 7.484 -30.045 1.00 0.00 C ATOM 890 O THR A 56 27.002 7.003 -30.965 1.00 0.00 O ATOM 891 CB THR A 56 27.208 9.848 -29.579 1.00 0.00 C ATOM 892 OG1 THR A 56 25.958 10.410 -30.010 1.00 0.00 O ATOM 893 CG2 THR A 56 28.211 9.888 -30.746 1.00 0.00 C ATOM 0 H THR A 56 29.063 8.093 -29.016 1.00 0.00 H new ATOM 0 HA THR A 56 26.312 8.528 -28.147 1.00 0.00 H new ATOM 0 HB THR A 56 27.636 10.437 -28.768 1.00 0.00 H new ATOM 0 HG1 THR A 56 26.110 11.310 -30.368 1.00 0.00 H new ATOM 0 HG21 THR A 56 28.321 10.914 -31.097 1.00 0.00 H new ATOM 0 HG22 THR A 56 29.178 9.515 -30.408 1.00 0.00 H new ATOM 0 HG23 THR A 56 27.846 9.263 -31.561 1.00 0.00 H new ATOM 901 N ASN A 57 24.996 7.253 -29.890 1.00 0.00 N ATOM 902 CA ASN A 57 24.218 6.252 -30.671 1.00 0.00 C ATOM 903 C ASN A 57 24.400 6.400 -32.190 1.00 0.00 C ATOM 904 O ASN A 57 24.362 5.404 -32.914 1.00 0.00 O ATOM 905 CB ASN A 57 22.713 6.348 -30.317 1.00 0.00 C ATOM 906 CG ASN A 57 22.409 5.956 -28.873 1.00 0.00 C ATOM 907 OD1 ASN A 57 22.474 6.787 -27.967 1.00 0.00 O ATOM 908 ND2 ASN A 57 22.056 4.693 -28.650 1.00 0.00 N ATOM 0 H ASN A 57 24.427 7.761 -29.212 1.00 0.00 H new ATOM 0 HA ASN A 57 24.608 5.273 -30.394 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.370 7.368 -30.490 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.146 5.703 -30.989 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.829 4.386 -27.704 1.00 0.00 H new ATOM 0 HD22 ASN A 57 22.013 4.031 -29.425 1.00 0.00 H new ATOM 915 N LYS A 58 24.600 7.648 -32.642 1.00 0.00 N ATOM 916 CA LYS A 58 24.817 7.982 -34.061 1.00 0.00 C ATOM 917 C LYS A 58 26.066 7.256 -34.613 1.00 0.00 C ATOM 918 O LYS A 58 25.984 6.497 -35.587 1.00 0.00 O ATOM 919 CB LYS A 58 24.977 9.520 -34.215 1.00 0.00 C ATOM 920 CG LYS A 58 25.070 10.031 -35.676 1.00 0.00 C ATOM 921 CD LYS A 58 25.324 11.559 -35.768 1.00 0.00 C ATOM 922 CE LYS A 58 24.184 12.403 -35.159 1.00 0.00 C ATOM 923 NZ LYS A 58 24.501 13.855 -35.164 1.00 0.00 N ATOM 0 H LYS A 58 24.616 8.462 -32.028 1.00 0.00 H new ATOM 0 HA LYS A 58 23.952 7.649 -34.635 1.00 0.00 H new ATOM 0 HB2 LYS A 58 24.132 10.008 -33.730 1.00 0.00 H new ATOM 0 HB3 LYS A 58 25.874 9.831 -33.680 1.00 0.00 H new ATOM 0 HG2 LYS A 58 25.874 9.503 -36.189 1.00 0.00 H new ATOM 0 HG3 LYS A 58 24.145 9.790 -36.199 1.00 0.00 H new ATOM 0 HD2 LYS A 58 26.257 11.797 -35.257 1.00 0.00 H new ATOM 0 HD3 LYS A 58 25.454 11.837 -36.814 1.00 0.00 H new ATOM 0 HE2 LYS A 58 23.266 12.231 -35.721 1.00 0.00 H new ATOM 0 HE3 LYS A 58 23.998 12.076 -34.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.709 14.385 -34.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 25.363 14.024 -34.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 24.653 14.174 -36.142 1.00 0.00 H new ATOM 937 N SER A 59 27.204 7.462 -33.931 1.00 0.00 N ATOM 938 CA SER A 59 28.503 6.908 -34.349 1.00 0.00 C ATOM 939 C SER A 59 28.544 5.378 -34.176 1.00 0.00 C ATOM 940 O SER A 59 29.174 4.669 -34.979 1.00 0.00 O ATOM 941 CB SER A 59 29.631 7.569 -33.538 1.00 0.00 C ATOM 942 OG SER A 59 29.606 8.981 -33.680 1.00 0.00 O ATOM 0 H SER A 59 27.250 8.016 -33.076 1.00 0.00 H new ATOM 0 HA SER A 59 28.643 7.123 -35.408 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.529 7.305 -32.485 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.595 7.184 -33.871 1.00 0.00 H new ATOM 0 HG SER A 59 30.332 9.376 -33.153 1.00 0.00 H new ATOM 948 N ILE A 60 27.845 4.887 -33.135 1.00 0.00 N ATOM 949 CA ILE A 60 27.794 3.456 -32.814 1.00 0.00 C ATOM 950 C ILE A 60 27.085 2.673 -33.934 1.00 0.00 C ATOM 951 O ILE A 60 27.621 1.712 -34.433 1.00 0.00 O ATOM 952 CB ILE A 60 27.054 3.171 -31.462 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.648 4.002 -30.291 1.00 0.00 C ATOM 954 CG2 ILE A 60 27.097 1.663 -31.123 1.00 0.00 C ATOM 955 CD1 ILE A 60 26.776 4.015 -29.049 1.00 0.00 C ATOM 0 H ILE A 60 27.304 5.472 -32.498 1.00 0.00 H new ATOM 0 HA ILE A 60 28.829 3.128 -32.718 1.00 0.00 H new ATOM 0 HB ILE A 60 26.015 3.476 -31.592 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.628 3.600 -30.032 1.00 0.00 H new ATOM 0 HG13 ILE A 60 27.803 5.027 -30.627 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.578 1.487 -30.181 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.610 1.098 -31.917 1.00 0.00 H new ATOM 0 HG23 ILE A 60 28.134 1.340 -31.032 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.255 4.614 -28.275 1.00 0.00 H new ATOM 0 HD12 ILE A 60 25.804 4.445 -29.291 1.00 0.00 H new ATOM 0 HD13 ILE A 60 26.642 2.995 -28.688 1.00 0.00 H new ATOM 967 N ARG A 61 25.871 3.108 -34.318 1.00 0.00 N ATOM 968 CA ARG A 61 25.084 2.432 -35.376 1.00 0.00 C ATOM 969 C ARG A 61 25.748 2.615 -36.760 1.00 0.00 C ATOM 970 O ARG A 61 25.600 1.766 -37.646 1.00 0.00 O ATOM 971 CB ARG A 61 23.625 2.960 -35.394 1.00 0.00 C ATOM 972 CG ARG A 61 23.487 4.450 -35.748 1.00 0.00 C ATOM 973 CD ARG A 61 22.062 4.986 -35.594 1.00 0.00 C ATOM 974 NE ARG A 61 21.979 6.418 -35.928 1.00 0.00 N ATOM 975 CZ ARG A 61 20.850 7.095 -36.174 1.00 0.00 C ATOM 976 NH1 ARG A 61 19.669 6.482 -36.174 1.00 0.00 N ATOM 977 NH2 ARG A 61 20.907 8.386 -36.442 1.00 0.00 N ATOM 0 H ARG A 61 25.410 3.924 -33.914 1.00 0.00 H new ATOM 0 HA ARG A 61 25.060 1.366 -35.151 1.00 0.00 H new ATOM 0 HB2 ARG A 61 23.050 2.375 -36.112 1.00 0.00 H new ATOM 0 HB3 ARG A 61 23.179 2.790 -34.414 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.155 5.030 -35.111 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.815 4.603 -36.776 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.389 4.422 -36.240 1.00 0.00 H new ATOM 0 HD3 ARG A 61 21.724 4.831 -34.569 1.00 0.00 H new ATOM 0 HE ARG A 61 22.855 6.938 -35.976 1.00 0.00 H new ATOM 0 HH11 ARG A 61 19.614 5.481 -35.985 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.819 7.013 -36.363 1.00 0.00 H new ATOM 0 HH21 ARG A 61 21.808 8.864 -36.461 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.050 8.906 -36.630 1.00 0.00 H new ATOM 991 N LYS A 62 26.490 3.734 -36.913 1.00 0.00 N ATOM 992 CA LYS A 62 27.232 4.056 -38.146 1.00 0.00 C ATOM 993 C LYS A 62 28.360 3.026 -38.378 1.00 0.00 C ATOM 994 O LYS A 62 28.541 2.535 -39.499 1.00 0.00 O ATOM 995 CB LYS A 62 27.772 5.517 -38.043 1.00 0.00 C ATOM 996 CG LYS A 62 28.196 6.216 -39.364 1.00 0.00 C ATOM 997 CD LYS A 62 29.539 5.723 -39.946 1.00 0.00 C ATOM 998 CE LYS A 62 29.929 6.460 -41.240 1.00 0.00 C ATOM 999 NZ LYS A 62 31.193 5.936 -41.809 1.00 0.00 N ATOM 0 H LYS A 62 26.590 4.439 -36.182 1.00 0.00 H new ATOM 0 HA LYS A 62 26.572 3.997 -39.012 1.00 0.00 H new ATOM 0 HB2 LYS A 62 27.003 6.128 -37.570 1.00 0.00 H new ATOM 0 HB3 LYS A 62 28.632 5.512 -37.373 1.00 0.00 H new ATOM 0 HG2 LYS A 62 27.414 6.064 -40.108 1.00 0.00 H new ATOM 0 HG3 LYS A 62 28.263 7.289 -39.187 1.00 0.00 H new ATOM 0 HD2 LYS A 62 30.325 5.860 -39.203 1.00 0.00 H new ATOM 0 HD3 LYS A 62 29.473 4.654 -40.147 1.00 0.00 H new ATOM 0 HE2 LYS A 62 29.129 6.356 -41.973 1.00 0.00 H new ATOM 0 HE3 LYS A 62 30.036 7.525 -41.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 31.424 6.456 -42.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 31.961 6.058 -41.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 31.082 4.926 -42.029 1.00 0.00 H new ATOM 1013 N ASN A 63 29.097 2.695 -37.307 1.00 0.00 N ATOM 1014 CA ASN A 63 30.243 1.760 -37.381 1.00 0.00 C ATOM 1015 C ASN A 63 29.779 0.303 -37.216 1.00 0.00 C ATOM 1016 O ASN A 63 30.062 -0.559 -38.061 1.00 0.00 O ATOM 1017 CB ASN A 63 31.310 2.131 -36.313 1.00 0.00 C ATOM 1018 CG ASN A 63 32.077 3.429 -36.626 1.00 0.00 C ATOM 1019 OD1 ASN A 63 31.387 4.473 -37.084 1.00 0.00 O flip ATOM 1020 ND2 ASN A 63 33.285 3.504 -36.412 1.00 0.00 N flip ATOM 0 H ASN A 63 28.922 3.061 -36.371 1.00 0.00 H new ATOM 0 HA ASN A 63 30.698 1.850 -38.367 1.00 0.00 H new ATOM 0 HB2 ASN A 63 30.821 2.234 -35.344 1.00 0.00 H new ATOM 0 HB3 ASN A 63 32.023 1.311 -36.225 1.00 0.00 H new ATOM 0 HD21 ASN A 63 33.792 2.691 -36.061 1.00 0.00 H new ATOM 0 HD22 ASN A 63 33.780 4.379 -36.585 1.00 0.00 H new ATOM 1027 N ARG A 64 29.045 0.062 -36.132 1.00 0.00 N ATOM 1028 CA ARG A 64 28.542 -1.268 -35.755 1.00 0.00 C ATOM 1029 C ARG A 64 27.225 -1.520 -36.499 1.00 0.00 C ATOM 1030 O ARG A 64 26.184 -0.941 -36.157 1.00 0.00 O ATOM 1031 CB ARG A 64 28.325 -1.378 -34.209 1.00 0.00 C ATOM 1032 CG ARG A 64 29.499 -0.858 -33.343 1.00 0.00 C ATOM 1033 CD ARG A 64 30.818 -1.629 -33.546 1.00 0.00 C ATOM 1034 NE ARG A 64 31.964 -0.915 -32.942 1.00 0.00 N ATOM 1035 CZ ARG A 64 33.230 -1.354 -32.901 1.00 0.00 C ATOM 1036 NH1 ARG A 64 33.552 -2.568 -33.328 1.00 0.00 N ATOM 1037 NH2 ARG A 64 34.168 -0.564 -32.398 1.00 0.00 N ATOM 0 H ARG A 64 28.775 0.795 -35.476 1.00 0.00 H new ATOM 0 HA ARG A 64 29.280 -2.021 -36.032 1.00 0.00 H new ATOM 0 HB2 ARG A 64 27.425 -0.824 -33.944 1.00 0.00 H new ATOM 0 HB3 ARG A 64 28.142 -2.423 -33.957 1.00 0.00 H new ATOM 0 HG2 ARG A 64 29.667 0.195 -33.571 1.00 0.00 H new ATOM 0 HG3 ARG A 64 29.215 -0.915 -32.292 1.00 0.00 H new ATOM 0 HD2 ARG A 64 30.732 -2.621 -33.103 1.00 0.00 H new ATOM 0 HD3 ARG A 64 30.997 -1.770 -34.612 1.00 0.00 H new ATOM 0 HE ARG A 64 31.774 -0.007 -32.519 1.00 0.00 H new ATOM 0 HH11 ARG A 64 32.830 -3.187 -33.696 1.00 0.00 H new ATOM 0 HH12 ARG A 64 34.522 -2.882 -33.288 1.00 0.00 H new ATOM 0 HH21 ARG A 64 33.922 0.362 -32.050 1.00 0.00 H new ATOM 0 HH22 ARG A 64 35.136 -0.883 -32.359 1.00 0.00 H new ATOM 1051 N ASN A 65 27.304 -2.343 -37.548 1.00 0.00 N ATOM 1052 CA ASN A 65 26.142 -2.741 -38.354 1.00 0.00 C ATOM 1053 C ASN A 65 25.220 -3.687 -37.562 1.00 0.00 C ATOM 1054 O ASN A 65 25.570 -4.148 -36.461 1.00 0.00 O ATOM 1055 CB ASN A 65 26.611 -3.411 -39.678 1.00 0.00 C ATOM 1056 CG ASN A 65 27.290 -2.427 -40.634 1.00 0.00 C ATOM 1057 OD1 ASN A 65 26.650 -1.867 -41.521 1.00 0.00 O ATOM 1058 ND2 ASN A 65 28.582 -2.192 -40.447 1.00 0.00 N ATOM 0 H ASN A 65 28.181 -2.756 -37.866 1.00 0.00 H new ATOM 0 HA ASN A 65 25.571 -1.846 -38.599 1.00 0.00 H new ATOM 0 HB2 ASN A 65 27.303 -4.220 -39.445 1.00 0.00 H new ATOM 0 HB3 ASN A 65 25.752 -3.860 -40.176 1.00 0.00 H new ATOM 0 HD21 ASN A 65 29.072 -1.530 -41.049 1.00 0.00 H new ATOM 0 HD22 ASN A 65 29.085 -2.673 -39.702 1.00 0.00 H new ATOM 1065 N CYS A 66 24.057 -3.975 -38.166 1.00 0.00 N ATOM 1066 CA CYS A 66 22.989 -4.787 -37.566 1.00 0.00 C ATOM 1067 C CYS A 66 23.505 -6.129 -37.019 1.00 0.00 C ATOM 1068 O CYS A 66 23.116 -6.532 -35.936 1.00 0.00 O ATOM 1069 CB CYS A 66 21.896 -5.028 -38.611 1.00 0.00 C ATOM 1070 SG CYS A 66 21.177 -3.508 -39.247 1.00 0.00 S ATOM 0 H CYS A 66 23.829 -3.643 -39.103 1.00 0.00 H new ATOM 0 HA CYS A 66 22.586 -4.235 -36.716 1.00 0.00 H new ATOM 0 HB2 CYS A 66 22.314 -5.599 -39.440 1.00 0.00 H new ATOM 0 HB3 CYS A 66 21.108 -5.638 -38.169 1.00 0.00 H new ATOM 0 HG CYS A 66 20.421 -3.780 -40.269 1.00 0.00 H new ATOM 1076 N SER A 67 24.416 -6.768 -37.775 1.00 0.00 N ATOM 1077 CA SER A 67 25.002 -8.087 -37.448 1.00 0.00 C ATOM 1078 C SER A 67 25.582 -8.132 -36.009 1.00 0.00 C ATOM 1079 O SER A 67 25.307 -9.070 -35.238 1.00 0.00 O ATOM 1080 CB SER A 67 26.097 -8.411 -38.486 1.00 0.00 C ATOM 1081 OG SER A 67 25.614 -8.216 -39.807 1.00 0.00 O ATOM 0 H SER A 67 24.774 -6.378 -38.647 1.00 0.00 H new ATOM 0 HA SER A 67 24.212 -8.837 -37.487 1.00 0.00 H new ATOM 0 HB2 SER A 67 26.966 -7.776 -38.314 1.00 0.00 H new ATOM 0 HB3 SER A 67 26.427 -9.443 -38.363 1.00 0.00 H new ATOM 0 HG SER A 67 26.324 -8.425 -40.449 1.00 0.00 H new ATOM 1087 N GLN A 68 26.359 -7.089 -35.658 1.00 0.00 N ATOM 1088 CA GLN A 68 26.966 -6.950 -34.319 1.00 0.00 C ATOM 1089 C GLN A 68 25.899 -6.766 -33.241 1.00 0.00 C ATOM 1090 O GLN A 68 26.023 -7.287 -32.135 1.00 0.00 O ATOM 1091 CB GLN A 68 27.954 -5.756 -34.288 1.00 0.00 C ATOM 1092 CG GLN A 68 29.232 -5.973 -35.120 1.00 0.00 C ATOM 1093 CD GLN A 68 30.054 -7.210 -34.697 1.00 0.00 C ATOM 1094 OE1 GLN A 68 30.716 -7.839 -35.526 1.00 0.00 O ATOM 1095 NE2 GLN A 68 30.045 -7.550 -33.405 1.00 0.00 N ATOM 0 H GLN A 68 26.583 -6.322 -36.292 1.00 0.00 H new ATOM 0 HA GLN A 68 27.511 -7.870 -34.110 1.00 0.00 H new ATOM 0 HB2 GLN A 68 27.442 -4.866 -34.654 1.00 0.00 H new ATOM 0 HB3 GLN A 68 28.236 -5.559 -33.254 1.00 0.00 H new ATOM 0 HG2 GLN A 68 28.957 -6.074 -36.170 1.00 0.00 H new ATOM 0 HG3 GLN A 68 29.861 -5.086 -35.039 1.00 0.00 H new ATOM 0 HE21 GLN A 68 29.489 -7.013 -32.740 1.00 0.00 H new ATOM 0 HE22 GLN A 68 30.595 -8.347 -33.084 1.00 0.00 H new ATOM 1104 N LEU A 69 24.863 -6.008 -33.596 1.00 0.00 N ATOM 1105 CA LEU A 69 23.754 -5.662 -32.693 1.00 0.00 C ATOM 1106 C LEU A 69 22.800 -6.859 -32.480 1.00 0.00 C ATOM 1107 O LEU A 69 22.117 -6.931 -31.457 1.00 0.00 O ATOM 1108 CB LEU A 69 23.011 -4.427 -33.255 1.00 0.00 C ATOM 1109 CG LEU A 69 23.921 -3.199 -33.574 1.00 0.00 C ATOM 1110 CD1 LEU A 69 23.102 -2.033 -34.141 1.00 0.00 C ATOM 1111 CD2 LEU A 69 24.744 -2.765 -32.338 1.00 0.00 C ATOM 0 H LEU A 69 24.764 -5.609 -34.530 1.00 0.00 H new ATOM 0 HA LEU A 69 24.157 -5.415 -31.711 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.488 -4.719 -34.166 1.00 0.00 H new ATOM 0 HB3 LEU A 69 22.251 -4.120 -32.536 1.00 0.00 H new ATOM 0 HG LEU A 69 24.630 -3.507 -34.342 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.763 -1.193 -34.353 1.00 0.00 H new ATOM 0 HD12 LEU A 69 22.609 -2.348 -35.061 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.351 -1.728 -33.413 1.00 0.00 H new ATOM 0 HD21 LEU A 69 25.366 -1.908 -32.597 1.00 0.00 H new ATOM 0 HD22 LEU A 69 24.068 -2.491 -31.528 1.00 0.00 H new ATOM 0 HD23 LEU A 69 25.380 -3.590 -32.016 1.00 0.00 H new ATOM 1123 N ILE A 70 22.768 -7.794 -33.452 1.00 0.00 N ATOM 1124 CA ILE A 70 22.026 -9.066 -33.314 1.00 0.00 C ATOM 1125 C ILE A 70 22.759 -9.930 -32.288 1.00 0.00 C ATOM 1126 O ILE A 70 22.162 -10.412 -31.332 1.00 0.00 O ATOM 1127 CB ILE A 70 21.920 -9.859 -34.676 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.234 -8.988 -35.778 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.163 -11.208 -34.486 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.403 -9.492 -37.206 1.00 0.00 C ATOM 0 H ILE A 70 23.250 -7.692 -34.345 1.00 0.00 H new ATOM 0 HA ILE A 70 21.009 -8.835 -32.998 1.00 0.00 H new ATOM 0 HB ILE A 70 22.933 -10.088 -35.006 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.169 -8.924 -35.556 1.00 0.00 H new ATOM 0 HG13 ILE A 70 21.633 -7.975 -35.718 1.00 0.00 H new ATOM 0 HG21 ILE A 70 21.106 -11.731 -35.441 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.697 -11.827 -33.765 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.155 -11.011 -34.119 1.00 0.00 H new ATOM 0 HD11 ILE A 70 20.891 -8.818 -37.893 1.00 0.00 H new ATOM 0 HD12 ILE A 70 22.463 -9.528 -37.456 1.00 0.00 H new ATOM 0 HD13 ILE A 70 20.976 -10.491 -37.292 1.00 0.00 H new ATOM 1142 N ALA A 71 24.083 -10.080 -32.503 1.00 0.00 N ATOM 1143 CA ALA A 71 24.967 -10.840 -31.600 1.00 0.00 C ATOM 1144 C ALA A 71 24.975 -10.235 -30.182 1.00 0.00 C ATOM 1145 O ALA A 71 25.081 -10.962 -29.202 1.00 0.00 O ATOM 1146 CB ALA A 71 26.390 -10.901 -32.170 1.00 0.00 C ATOM 0 H ALA A 71 24.566 -9.678 -33.306 1.00 0.00 H new ATOM 0 HA ALA A 71 24.577 -11.855 -31.525 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.030 -11.465 -31.492 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.371 -11.391 -33.143 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.781 -9.890 -32.281 1.00 0.00 H new ATOM 1152 N ALA A 72 24.855 -8.899 -30.109 1.00 0.00 N ATOM 1153 CA ALA A 72 24.810 -8.149 -28.836 1.00 0.00 C ATOM 1154 C ALA A 72 23.496 -8.400 -28.064 1.00 0.00 C ATOM 1155 O ALA A 72 23.524 -8.670 -26.855 1.00 0.00 O ATOM 1156 CB ALA A 72 25.007 -6.648 -29.100 1.00 0.00 C ATOM 0 H ALA A 72 24.786 -8.303 -30.934 1.00 0.00 H new ATOM 0 HA ALA A 72 25.625 -8.510 -28.208 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.972 -6.105 -28.156 1.00 0.00 H new ATOM 0 HB2 ALA A 72 25.974 -6.486 -29.576 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.215 -6.287 -29.756 1.00 0.00 H new ATOM 1162 N TYR A 73 22.343 -8.304 -28.771 1.00 0.00 N ATOM 1163 CA TYR A 73 21.003 -8.520 -28.162 1.00 0.00 C ATOM 1164 C TYR A 73 20.840 -9.988 -27.725 1.00 0.00 C ATOM 1165 O TYR A 73 20.253 -10.271 -26.667 1.00 0.00 O ATOM 1166 CB TYR A 73 19.861 -8.120 -29.140 1.00 0.00 C ATOM 1167 CG TYR A 73 18.442 -8.240 -28.532 1.00 0.00 C ATOM 1168 CD1 TYR A 73 17.886 -7.199 -27.781 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.666 -9.400 -28.692 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.624 -7.309 -27.218 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.403 -9.508 -28.130 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.887 -8.461 -27.394 1.00 0.00 C ATOM 1173 OH TYR A 73 14.632 -8.570 -26.830 1.00 0.00 O ATOM 0 H TYR A 73 22.312 -8.078 -29.765 1.00 0.00 H new ATOM 0 HA TYR A 73 20.932 -7.879 -27.284 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.020 -7.092 -29.467 1.00 0.00 H new ATOM 0 HB3 TYR A 73 19.919 -8.750 -30.028 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.452 -6.290 -27.637 1.00 0.00 H new ATOM 0 HD2 TYR A 73 18.062 -10.225 -29.265 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.218 -6.492 -26.641 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.824 -10.409 -28.268 1.00 0.00 H new ATOM 0 HH TYR A 73 14.083 -9.179 -27.368 1.00 0.00 H new ATOM 1183 N LYS A 74 21.362 -10.915 -28.554 1.00 0.00 N ATOM 1184 CA LYS A 74 21.377 -12.351 -28.231 1.00 0.00 C ATOM 1185 C LYS A 74 22.200 -12.575 -26.969 1.00 0.00 C ATOM 1186 O LYS A 74 21.678 -13.077 -25.989 1.00 0.00 O ATOM 1187 CB LYS A 74 21.940 -13.209 -29.397 1.00 0.00 C ATOM 1188 CG LYS A 74 21.023 -13.262 -30.632 1.00 0.00 C ATOM 1189 CD LYS A 74 21.445 -14.322 -31.670 1.00 0.00 C ATOM 1190 CE LYS A 74 22.804 -14.050 -32.319 1.00 0.00 C ATOM 1191 NZ LYS A 74 23.149 -15.099 -33.316 1.00 0.00 N ATOM 0 H LYS A 74 21.780 -10.690 -29.457 1.00 0.00 H new ATOM 0 HA LYS A 74 20.347 -12.670 -28.068 1.00 0.00 H new ATOM 0 HB2 LYS A 74 22.910 -12.809 -29.694 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.110 -14.224 -29.039 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.003 -13.469 -30.308 1.00 0.00 H new ATOM 0 HG3 LYS A 74 21.013 -12.282 -31.109 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.474 -15.298 -31.186 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.685 -14.375 -32.450 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.788 -13.075 -32.806 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.575 -14.010 -31.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.075 -14.886 -33.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.188 -16.026 -32.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.425 -15.120 -34.063 1.00 0.00 H new ATOM 1205 N ASP A 75 23.457 -12.094 -26.994 1.00 0.00 N ATOM 1206 CA ASP A 75 24.412 -12.234 -25.872 1.00 0.00 C ATOM 1207 C ASP A 75 23.795 -11.721 -24.557 1.00 0.00 C ATOM 1208 O ASP A 75 24.007 -12.300 -23.523 1.00 0.00 O ATOM 1209 CB ASP A 75 25.723 -11.462 -26.170 1.00 0.00 C ATOM 1210 CG ASP A 75 26.837 -11.711 -25.136 1.00 0.00 C ATOM 1211 OD1 ASP A 75 27.599 -12.691 -25.294 1.00 0.00 O ATOM 1212 OD2 ASP A 75 26.959 -10.934 -24.160 1.00 0.00 O ATOM 0 H ASP A 75 23.843 -11.595 -27.795 1.00 0.00 H new ATOM 0 HA ASP A 75 24.641 -13.294 -25.761 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.086 -11.747 -27.157 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.505 -10.395 -26.206 1.00 0.00 H new ATOM 1217 N PHE A 76 22.998 -10.653 -24.665 1.00 0.00 N ATOM 1218 CA PHE A 76 22.303 -9.993 -23.538 1.00 0.00 C ATOM 1219 C PHE A 76 21.213 -10.914 -22.917 1.00 0.00 C ATOM 1220 O PHE A 76 21.186 -11.163 -21.684 1.00 0.00 O ATOM 1221 CB PHE A 76 21.695 -8.674 -24.095 1.00 0.00 C ATOM 1222 CG PHE A 76 21.202 -7.672 -23.069 1.00 0.00 C ATOM 1223 CD1 PHE A 76 21.936 -7.416 -21.918 1.00 0.00 C ATOM 1224 CD2 PHE A 76 20.022 -6.954 -23.271 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.510 -6.484 -21.007 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.600 -6.018 -22.347 1.00 0.00 C ATOM 1227 CZ PHE A 76 20.345 -5.785 -21.221 1.00 0.00 C ATOM 0 H PHE A 76 22.809 -10.206 -25.562 1.00 0.00 H new ATOM 0 HA PHE A 76 23.001 -9.780 -22.728 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.447 -8.186 -24.715 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.862 -8.931 -24.749 1.00 0.00 H new ATOM 0 HD1 PHE A 76 22.853 -7.957 -21.738 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.433 -7.132 -24.159 1.00 0.00 H new ATOM 0 HE1 PHE A 76 22.092 -6.298 -20.117 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.684 -5.470 -22.512 1.00 0.00 H new ATOM 0 HZ PHE A 76 20.017 -5.051 -20.500 1.00 0.00 H new ATOM 1237 N CYS A 77 20.336 -11.431 -23.794 1.00 0.00 N ATOM 1238 CA CYS A 77 19.241 -12.350 -23.412 1.00 0.00 C ATOM 1239 C CYS A 77 19.794 -13.677 -22.841 1.00 0.00 C ATOM 1240 O CYS A 77 19.234 -14.247 -21.896 1.00 0.00 O ATOM 1241 CB CYS A 77 18.350 -12.619 -24.643 1.00 0.00 C ATOM 1242 SG CYS A 77 17.028 -13.824 -24.371 1.00 0.00 S ATOM 0 H CYS A 77 20.363 -11.225 -24.793 1.00 0.00 H new ATOM 0 HA CYS A 77 18.647 -11.881 -22.628 1.00 0.00 H new ATOM 0 HB2 CYS A 77 17.904 -11.678 -24.965 1.00 0.00 H new ATOM 0 HB3 CYS A 77 18.980 -12.969 -25.461 1.00 0.00 H new ATOM 0 HG CYS A 77 16.343 -13.971 -25.466 1.00 0.00 H new ATOM 1248 N GLU A 78 20.914 -14.134 -23.411 1.00 0.00 N ATOM 1249 CA GLU A 78 21.585 -15.387 -23.022 1.00 0.00 C ATOM 1250 C GLU A 78 22.475 -15.167 -21.779 1.00 0.00 C ATOM 1251 O GLU A 78 22.767 -16.111 -21.037 1.00 0.00 O ATOM 1252 CB GLU A 78 22.420 -15.910 -24.219 1.00 0.00 C ATOM 1253 CG GLU A 78 21.616 -16.093 -25.528 1.00 0.00 C ATOM 1254 CD GLU A 78 20.510 -17.160 -25.458 1.00 0.00 C ATOM 1255 OE1 GLU A 78 20.817 -18.356 -25.666 1.00 0.00 O ATOM 1256 OE2 GLU A 78 19.326 -16.813 -25.205 1.00 0.00 O ATOM 0 H GLU A 78 21.389 -13.640 -24.166 1.00 0.00 H new ATOM 0 HA GLU A 78 20.835 -16.133 -22.759 1.00 0.00 H new ATOM 0 HB2 GLU A 78 23.240 -15.216 -24.405 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.867 -16.866 -23.945 1.00 0.00 H new ATOM 0 HG2 GLU A 78 21.165 -15.138 -25.798 1.00 0.00 H new ATOM 0 HG3 GLU A 78 22.307 -16.357 -26.329 1.00 0.00 H new ATOM 1263 N HIS A 79 22.903 -13.905 -21.578 1.00 0.00 N ATOM 1264 CA HIS A 79 23.660 -13.468 -20.378 1.00 0.00 C ATOM 1265 C HIS A 79 22.762 -13.551 -19.140 1.00 0.00 C ATOM 1266 O HIS A 79 23.238 -13.820 -18.033 1.00 0.00 O ATOM 1267 CB HIS A 79 24.189 -12.017 -20.558 1.00 0.00 C ATOM 1268 CG HIS A 79 25.135 -11.523 -19.491 1.00 0.00 C ATOM 1269 ND1 HIS A 79 24.813 -10.517 -18.608 1.00 0.00 N ATOM 1270 CD2 HIS A 79 26.412 -11.876 -19.202 1.00 0.00 C ATOM 1271 CE1 HIS A 79 25.843 -10.271 -17.825 1.00 0.00 C ATOM 1272 NE2 HIS A 79 26.824 -11.081 -18.163 1.00 0.00 N ATOM 0 H HIS A 79 22.734 -13.152 -22.245 1.00 0.00 H new ATOM 0 HA HIS A 79 24.516 -14.130 -20.247 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.694 -11.952 -21.522 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.334 -11.342 -20.599 1.00 0.00 H new ATOM 0 HD2 HIS A 79 26.995 -12.639 -19.697 1.00 0.00 H new ATOM 0 HE1 HIS A 79 25.877 -9.531 -17.039 1.00 0.00 H new ATOM 0 HE2 HIS A 79 27.744 -11.112 -17.723 1.00 0.00 H new ATOM 1281 N GLY A 80 21.453 -13.314 -19.347 1.00 0.00 N ATOM 1282 CA GLY A 80 20.484 -13.443 -18.259 1.00 0.00 C ATOM 1283 C GLY A 80 20.084 -12.096 -17.698 1.00 0.00 C ATOM 1284 O GLY A 80 20.081 -11.915 -16.475 1.00 0.00 O ATOM 0 H GLY A 80 21.054 -13.037 -20.244 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.597 -13.963 -18.622 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.910 -14.056 -17.464 1.00 0.00 H new ATOM 1288 N THR A 81 19.825 -11.142 -18.624 1.00 0.00 N ATOM 1289 CA THR A 81 19.557 -9.721 -18.320 1.00 0.00 C ATOM 1290 C THR A 81 18.601 -9.515 -17.118 1.00 0.00 C ATOM 1291 O THR A 81 17.603 -10.228 -16.963 1.00 0.00 O ATOM 1292 CB THR A 81 18.987 -8.960 -19.571 1.00 0.00 C ATOM 1293 OG1 THR A 81 18.710 -7.589 -19.221 1.00 0.00 O ATOM 1294 CG2 THR A 81 17.715 -9.613 -20.147 1.00 0.00 C ATOM 0 H THR A 81 19.797 -11.346 -19.623 1.00 0.00 H new ATOM 0 HA THR A 81 20.526 -9.303 -18.046 1.00 0.00 H new ATOM 0 HB THR A 81 19.751 -9.010 -20.347 1.00 0.00 H new ATOM 0 HG1 THR A 81 19.203 -6.992 -19.822 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.371 -9.041 -21.009 1.00 0.00 H new ATOM 0 HG22 THR A 81 17.938 -10.634 -20.455 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.936 -9.626 -19.385 1.00 0.00 H new ATOM 1302 N LYS A 82 18.946 -8.511 -16.290 1.00 0.00 N ATOM 1303 CA LYS A 82 18.210 -8.139 -15.061 1.00 0.00 C ATOM 1304 C LYS A 82 16.759 -7.710 -15.355 1.00 0.00 C ATOM 1305 O LYS A 82 15.906 -7.720 -14.467 1.00 0.00 O ATOM 1306 CB LYS A 82 18.964 -6.989 -14.354 1.00 0.00 C ATOM 1307 CG LYS A 82 19.035 -5.682 -15.179 1.00 0.00 C ATOM 1308 CD LYS A 82 19.961 -4.626 -14.551 1.00 0.00 C ATOM 1309 CE LYS A 82 21.424 -5.087 -14.466 1.00 0.00 C ATOM 1310 NZ LYS A 82 22.268 -4.100 -13.767 1.00 0.00 N ATOM 0 H LYS A 82 19.761 -7.922 -16.458 1.00 0.00 H new ATOM 0 HA LYS A 82 18.160 -9.018 -14.418 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.476 -6.780 -13.402 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.978 -7.319 -14.127 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.385 -5.912 -16.185 1.00 0.00 H new ATOM 0 HG3 LYS A 82 18.032 -5.266 -15.278 1.00 0.00 H new ATOM 0 HD2 LYS A 82 19.908 -3.709 -15.138 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.603 -4.385 -13.550 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.474 -6.043 -13.945 1.00 0.00 H new ATOM 0 HE3 LYS A 82 21.813 -5.251 -15.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 23.192 -4.525 -13.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.405 -3.268 -14.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.803 -3.810 -12.883 1.00 0.00 H new ATOM 1324 N SER A 83 16.524 -7.317 -16.615 1.00 0.00 N ATOM 1325 CA SER A 83 15.208 -6.926 -17.131 1.00 0.00 C ATOM 1326 C SER A 83 14.185 -8.072 -16.989 1.00 0.00 C ATOM 1327 O SER A 83 12.987 -7.827 -16.821 1.00 0.00 O ATOM 1328 CB SER A 83 15.371 -6.543 -18.616 1.00 0.00 C ATOM 1329 OG SER A 83 16.495 -5.714 -18.788 1.00 0.00 O ATOM 0 H SER A 83 17.261 -7.262 -17.318 1.00 0.00 H new ATOM 0 HA SER A 83 14.831 -6.081 -16.555 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.479 -7.443 -19.221 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.475 -6.030 -18.966 1.00 0.00 H new ATOM 0 HG SER A 83 17.284 -6.266 -18.970 1.00 0.00 H new ATOM 1335 N GLY A 84 14.697 -9.322 -17.032 1.00 0.00 N ATOM 1336 CA GLY A 84 13.859 -10.522 -17.038 1.00 0.00 C ATOM 1337 C GLY A 84 13.122 -10.702 -18.359 1.00 0.00 C ATOM 1338 O GLY A 84 12.078 -11.355 -18.427 1.00 0.00 O ATOM 0 H GLY A 84 15.698 -9.517 -17.063 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.480 -11.398 -16.848 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.135 -10.462 -16.225 1.00 0.00 H new ATOM 1342 N LEU A 85 13.692 -10.113 -19.422 1.00 0.00 N ATOM 1343 CA LEU A 85 13.089 -10.079 -20.764 1.00 0.00 C ATOM 1344 C LEU A 85 13.780 -11.094 -21.691 1.00 0.00 C ATOM 1345 O LEU A 85 13.922 -10.868 -22.902 1.00 0.00 O ATOM 1346 CB LEU A 85 13.162 -8.625 -21.302 1.00 0.00 C ATOM 1347 CG LEU A 85 12.338 -7.564 -20.488 1.00 0.00 C ATOM 1348 CD1 LEU A 85 12.457 -6.152 -21.104 1.00 0.00 C ATOM 1349 CD2 LEU A 85 10.854 -7.986 -20.341 1.00 0.00 C ATOM 0 H LEU A 85 14.595 -9.641 -19.373 1.00 0.00 H new ATOM 0 HA LEU A 85 12.040 -10.373 -20.721 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.206 -8.314 -21.319 1.00 0.00 H new ATOM 0 HB3 LEU A 85 12.811 -8.619 -22.334 1.00 0.00 H new ATOM 0 HG LEU A 85 12.771 -7.523 -19.488 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.873 -5.447 -20.513 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.503 -5.844 -21.108 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.079 -6.168 -22.126 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.315 -7.228 -19.772 1.00 0.00 H new ATOM 0 HD22 LEU A 85 10.405 -8.086 -21.329 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.797 -8.941 -19.818 1.00 0.00 H new ATOM 1361 N ASN A 86 14.182 -12.233 -21.094 1.00 0.00 N ATOM 1362 CA ASN A 86 14.734 -13.385 -21.820 1.00 0.00 C ATOM 1363 C ASN A 86 13.584 -14.052 -22.599 1.00 0.00 C ATOM 1364 O ASN A 86 12.718 -14.700 -21.993 1.00 0.00 O ATOM 1365 CB ASN A 86 15.384 -14.411 -20.839 1.00 0.00 C ATOM 1366 CG ASN A 86 16.481 -13.836 -19.926 1.00 0.00 C ATOM 1367 OD1 ASN A 86 16.476 -12.657 -19.567 1.00 0.00 O ATOM 1368 ND2 ASN A 86 17.425 -14.679 -19.524 1.00 0.00 N ATOM 0 H ASN A 86 14.131 -12.377 -20.085 1.00 0.00 H new ATOM 0 HA ASN A 86 15.514 -13.047 -22.502 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.600 -14.839 -20.214 1.00 0.00 H new ATOM 0 HB3 ASN A 86 15.809 -15.228 -21.422 1.00 0.00 H new ATOM 0 HD21 ASN A 86 18.168 -14.355 -18.904 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.407 -15.650 -19.835 1.00 0.00 H new ATOM 1375 N GLN A 87 13.548 -13.857 -23.928 1.00 0.00 N ATOM 1376 CA GLN A 87 12.425 -14.308 -24.772 1.00 0.00 C ATOM 1377 C GLN A 87 12.969 -15.119 -25.960 1.00 0.00 C ATOM 1378 O GLN A 87 13.526 -14.552 -26.914 1.00 0.00 O ATOM 1379 CB GLN A 87 11.579 -13.068 -25.219 1.00 0.00 C ATOM 1380 CG GLN A 87 10.099 -13.366 -25.592 1.00 0.00 C ATOM 1381 CD GLN A 87 9.880 -14.037 -26.955 1.00 0.00 C ATOM 1382 OE1 GLN A 87 10.663 -13.649 -27.954 1.00 0.00 O flip ATOM 1383 NE2 GLN A 87 8.970 -14.853 -27.119 1.00 0.00 N flip ATOM 0 H GLN A 87 14.290 -13.386 -24.446 1.00 0.00 H new ATOM 0 HA GLN A 87 11.761 -14.966 -24.211 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.592 -12.333 -24.415 1.00 0.00 H new ATOM 0 HB3 GLN A 87 12.067 -12.608 -26.079 1.00 0.00 H new ATOM 0 HG2 GLN A 87 9.670 -14.005 -24.820 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.543 -12.429 -25.575 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.386 -15.131 -26.330 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.802 -15.250 -28.043 1.00 0.00 H new ATOM 1392 N GLY A 88 12.822 -16.450 -25.867 1.00 0.00 N ATOM 1393 CA GLY A 88 13.271 -17.382 -26.901 1.00 0.00 C ATOM 1394 C GLY A 88 12.115 -18.266 -27.387 1.00 0.00 C ATOM 1395 O GLY A 88 11.440 -17.898 -28.368 1.00 0.00 O ATOM 1396 OXT GLY A 88 11.843 -19.314 -26.756 1.00 0.00 O ATOM 0 H GLY A 88 12.386 -16.907 -25.067 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.686 -16.825 -27.742 1.00 0.00 H new ATOM 0 HA3 GLY A 88 14.072 -18.008 -26.508 1.00 0.00 H new TER 1400 GLY A 88