USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 569 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 34 SER OG : rot 145:sc= 1.01 USER MOD Set 1.2: A 39 ASN : amide:sc= -6.22! C(o=-5!,f=-3.9!) USER MOD Set 1.3: A 41 TYR OH : rot 15:sc= 0.19 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= -1.22 (180deg=-1.47!) USER MOD Single : A 2 LYS NZ :NH3+ -125:sc= -1.48 (180deg=-3.8!) USER MOD Single : A 4 THR OG1 : rot 84:sc= 0.191 USER MOD Single : A 6 TYR OH : rot 115:sc= -0.272 USER MOD Single : A 11 ASN : amide:sc= -1.6! C(o=-1.6!,f=-5.2!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -66:sc= 0.865 USER MOD Single : A 18 HIS : no HE2:sc= -7.94! C(o=-7.9!,f=-11!) USER MOD Single : A 19 TYR OH : rot 145:sc= -1.74 USER MOD Single : A 23 SER OG : rot 162:sc= -5.69! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.074) USER MOD Single : A 38 HIS : no HD1:sc= -0.311 X(o=-0.31,f=0) USER MOD Single : A 42 MET CE :methyl 161:sc= -0.048 (180deg=-0.53) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -2.09! C(o=-2.1!,f=-4.5!) USER MOD Single : A 48 GLN : amide:sc= -0.213 K(o=-0.21,f=-0.89) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.78! C(o=-2.8!,f=-3.1!) USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= -1.11 (180deg=-1.66) USER MOD Single : A 58 SER OG : rot 120:sc= -0.1 USER MOD Single : A 60 GLN : amide:sc= -2.89! C(o=-2.9!,f=-5.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 37:sc= -0.83 USER MOD Single : A 68 TYR OH : rot -175:sc= -6.51! USER MOD Single : A 72 MET CE :methyl 164:sc= -0.186 (180deg=-0.824) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -166:sc= -0.174 (180deg=-0.717) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.175 -21.912 -19.827 1.00 0.00 N ATOM 2 CA MET A 1 -11.741 -22.329 -18.521 1.00 0.00 C ATOM 3 C MET A 1 -11.008 -21.627 -17.386 1.00 0.00 C ATOM 4 O MET A 1 -11.429 -21.679 -16.248 1.00 0.00 O ATOM 5 CB MET A 1 -11.581 -23.849 -18.342 1.00 0.00 C ATOM 6 CG MET A 1 -10.095 -24.215 -18.427 1.00 0.00 C ATOM 7 SD MET A 1 -9.680 -25.973 -18.540 1.00 0.00 S ATOM 8 CE MET A 1 -7.881 -25.777 -18.610 1.00 0.00 C ATOM 0 H1 MET A 1 -11.547 -22.527 -20.579 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.442 -20.926 -20.022 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.138 -21.991 -19.797 1.00 0.00 H new ATOM 0 HA MET A 1 -12.797 -22.061 -18.500 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.989 -24.158 -17.380 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.142 -24.379 -19.112 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.673 -23.712 -19.297 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.596 -23.806 -17.549 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.411 -26.758 -18.684 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.614 -25.180 -19.482 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.534 -25.275 -17.707 1.00 0.00 H new ATOM 20 N LYS A 2 -9.923 -20.983 -17.716 1.00 0.00 N ATOM 21 CA LYS A 2 -9.152 -20.272 -16.667 1.00 0.00 C ATOM 22 C LYS A 2 -9.964 -19.124 -16.082 1.00 0.00 C ATOM 23 O LYS A 2 -10.188 -19.072 -14.890 1.00 0.00 O ATOM 24 CB LYS A 2 -7.877 -19.699 -17.304 1.00 0.00 C ATOM 25 CG LYS A 2 -7.078 -20.837 -17.945 1.00 0.00 C ATOM 26 CD LYS A 2 -5.915 -20.246 -18.759 1.00 0.00 C ATOM 27 CE LYS A 2 -4.925 -19.536 -17.816 1.00 0.00 C ATOM 28 NZ LYS A 2 -5.375 -18.143 -17.538 1.00 0.00 N ATOM 0 H LYS A 2 -9.542 -20.920 -18.660 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.911 -20.973 -15.868 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.135 -18.952 -18.055 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.274 -19.196 -16.549 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.695 -21.506 -17.175 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.724 -21.431 -18.591 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.404 -21.037 -19.308 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.297 -19.541 -19.497 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.843 -20.091 -16.881 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.932 -19.521 -18.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.613 -17.477 -17.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -6.216 -17.929 -18.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.610 -18.049 -16.529 1.00 0.00 H new ATOM 42 N GLU A 3 -10.393 -18.225 -16.952 1.00 0.00 N ATOM 43 CA GLU A 3 -11.207 -17.040 -16.503 1.00 0.00 C ATOM 44 C GLU A 3 -10.865 -16.615 -15.071 1.00 0.00 C ATOM 45 O GLU A 3 -11.491 -17.049 -14.126 1.00 0.00 O ATOM 46 CB GLU A 3 -12.710 -17.409 -16.582 1.00 0.00 C ATOM 47 CG GLU A 3 -12.925 -18.836 -16.071 1.00 0.00 C ATOM 48 CD GLU A 3 -14.426 -19.132 -16.023 1.00 0.00 C ATOM 49 OE1 GLU A 3 -15.070 -18.532 -15.178 1.00 0.00 O ATOM 50 OE2 GLU A 3 -14.843 -19.943 -16.834 1.00 0.00 O ATOM 0 H GLU A 3 -10.212 -18.264 -17.955 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.976 -16.201 -17.160 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.297 -16.709 -15.988 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.060 -17.325 -17.611 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.422 -19.549 -16.725 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.488 -18.950 -15.079 1.00 0.00 H new ATOM 57 N THR A 4 -9.875 -15.770 -14.942 1.00 0.00 N ATOM 58 CA THR A 4 -9.479 -15.307 -13.584 1.00 0.00 C ATOM 59 C THR A 4 -8.778 -13.965 -13.650 1.00 0.00 C ATOM 60 O THR A 4 -7.838 -13.792 -14.394 1.00 0.00 O ATOM 61 CB THR A 4 -8.496 -16.327 -12.983 1.00 0.00 C ATOM 62 OG1 THR A 4 -9.192 -17.556 -12.969 1.00 0.00 O ATOM 63 CG2 THR A 4 -8.220 -16.020 -11.498 1.00 0.00 C ATOM 0 H THR A 4 -9.329 -15.385 -15.713 1.00 0.00 H new ATOM 0 HA THR A 4 -10.378 -15.212 -12.975 1.00 0.00 H new ATOM 0 HB THR A 4 -7.566 -16.319 -13.552 1.00 0.00 H new ATOM 0 HG1 THR A 4 -9.117 -17.984 -13.847 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.522 -16.756 -11.098 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.788 -15.023 -11.407 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.154 -16.063 -10.938 1.00 0.00 H new ATOM 71 N ARG A 5 -9.263 -13.025 -12.884 1.00 0.00 N ATOM 72 CA ARG A 5 -8.633 -11.676 -12.879 1.00 0.00 C ATOM 73 C ARG A 5 -7.674 -11.615 -11.727 1.00 0.00 C ATOM 74 O ARG A 5 -7.578 -12.547 -10.953 1.00 0.00 O ATOM 75 CB ARG A 5 -9.723 -10.599 -12.715 1.00 0.00 C ATOM 76 CG ARG A 5 -10.917 -10.943 -13.624 1.00 0.00 C ATOM 77 CD ARG A 5 -10.466 -10.921 -15.094 1.00 0.00 C ATOM 78 NE ARG A 5 -9.782 -12.217 -15.420 1.00 0.00 N ATOM 79 CZ ARG A 5 -10.452 -13.183 -16.000 1.00 0.00 C ATOM 80 NH1 ARG A 5 -11.621 -13.516 -15.524 1.00 0.00 N ATOM 81 NH2 ARG A 5 -9.928 -13.779 -17.035 1.00 0.00 N ATOM 0 H ARG A 5 -10.066 -13.133 -12.264 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.105 -11.497 -13.816 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -10.046 -10.547 -11.675 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.324 -9.618 -12.975 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.311 -11.927 -13.368 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.724 -10.226 -13.469 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.325 -10.775 -15.748 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.788 -10.085 -15.266 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.797 -12.346 -15.190 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.000 -13.027 -14.713 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.156 -14.265 -15.963 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.012 -13.491 -17.380 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.434 -14.533 -17.500 1.00 0.00 H new ATOM 95 N TYR A 6 -6.978 -10.534 -11.607 1.00 0.00 N ATOM 96 CA TYR A 6 -6.003 -10.421 -10.482 1.00 0.00 C ATOM 97 C TYR A 6 -5.810 -8.965 -10.071 1.00 0.00 C ATOM 98 O TYR A 6 -6.364 -8.076 -10.687 1.00 0.00 O ATOM 99 CB TYR A 6 -4.658 -11.007 -10.986 1.00 0.00 C ATOM 100 CG TYR A 6 -4.934 -12.188 -11.932 1.00 0.00 C ATOM 101 CD1 TYR A 6 -5.166 -13.452 -11.427 1.00 0.00 C ATOM 102 CD2 TYR A 6 -4.953 -12.006 -13.300 1.00 0.00 C ATOM 103 CE1 TYR A 6 -5.409 -14.511 -12.272 1.00 0.00 C ATOM 104 CE2 TYR A 6 -5.192 -13.070 -14.146 1.00 0.00 C ATOM 105 CZ TYR A 6 -5.422 -14.330 -13.636 1.00 0.00 C ATOM 106 OH TYR A 6 -5.657 -15.395 -14.482 1.00 0.00 O ATOM 0 H TYR A 6 -7.033 -9.726 -12.227 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.370 -10.962 -9.610 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.086 -10.238 -11.505 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.054 -11.338 -10.141 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.157 -13.611 -10.359 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.779 -11.023 -13.712 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.591 -15.493 -11.861 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.199 -12.914 -15.215 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.499 -15.251 -14.963 1.00 0.00 H new ATOM 116 N CYS A 7 -5.026 -8.726 -9.032 1.00 0.00 N ATOM 117 CA CYS A 7 -4.832 -7.322 -8.624 1.00 0.00 C ATOM 118 C CYS A 7 -4.329 -6.533 -9.785 1.00 0.00 C ATOM 119 O CYS A 7 -3.468 -6.977 -10.519 1.00 0.00 O ATOM 120 CB CYS A 7 -3.843 -7.199 -7.433 1.00 0.00 C ATOM 121 SG CYS A 7 -3.953 -5.656 -6.486 1.00 0.00 S ATOM 0 H CYS A 7 -4.536 -9.428 -8.478 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.794 -6.930 -8.295 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.013 -8.035 -6.754 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.827 -7.299 -7.815 1.00 0.00 H new ATOM 126 N ALA A 8 -4.873 -5.374 -9.946 1.00 0.00 N ATOM 127 CA ALA A 8 -4.444 -4.531 -11.066 1.00 0.00 C ATOM 128 C ALA A 8 -2.914 -4.530 -11.236 1.00 0.00 C ATOM 129 O ALA A 8 -2.435 -4.560 -12.348 1.00 0.00 O ATOM 130 CB ALA A 8 -4.953 -3.103 -10.817 1.00 0.00 C ATOM 0 H ALA A 8 -5.597 -4.976 -9.348 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.863 -4.933 -11.989 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.644 -2.458 -11.640 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.041 -3.111 -10.751 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.535 -2.725 -9.884 1.00 0.00 H new ATOM 136 N VAL A 9 -2.167 -4.538 -10.135 1.00 0.00 N ATOM 137 CA VAL A 9 -0.664 -4.534 -10.290 1.00 0.00 C ATOM 138 C VAL A 9 0.097 -4.996 -9.019 1.00 0.00 C ATOM 139 O VAL A 9 1.064 -5.726 -9.106 1.00 0.00 O ATOM 140 CB VAL A 9 -0.219 -3.055 -10.569 1.00 0.00 C ATOM 141 CG1 VAL A 9 1.323 -2.939 -10.437 1.00 0.00 C ATOM 142 CG2 VAL A 9 -0.641 -2.630 -11.992 1.00 0.00 C ATOM 0 H VAL A 9 -2.518 -4.547 -9.177 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.425 -5.229 -11.095 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.701 -2.401 -9.842 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.628 -1.911 -10.631 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.624 -3.223 -9.429 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.801 -3.602 -11.158 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.327 -1.602 -12.173 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.170 -3.288 -12.723 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.725 -2.700 -12.086 1.00 0.00 H new ATOM 152 N CYS A 10 -0.358 -4.563 -7.889 1.00 0.00 N ATOM 153 CA CYS A 10 0.330 -4.951 -6.606 1.00 0.00 C ATOM 154 C CYS A 10 0.499 -6.469 -6.371 1.00 0.00 C ATOM 155 O CYS A 10 1.588 -6.979 -6.527 1.00 0.00 O ATOM 156 CB CYS A 10 -0.437 -4.311 -5.410 1.00 0.00 C ATOM 157 SG CYS A 10 -0.972 -5.392 -4.062 1.00 0.00 S ATOM 0 H CYS A 10 -1.173 -3.959 -7.781 1.00 0.00 H new ATOM 0 HA CYS A 10 1.348 -4.570 -6.688 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.199 -3.536 -4.983 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.321 -3.814 -5.809 1.00 0.00 H new ATOM 162 N ASN A 11 -0.563 -7.175 -6.005 1.00 0.00 N ATOM 163 CA ASN A 11 -0.416 -8.641 -5.763 1.00 0.00 C ATOM 164 C ASN A 11 -0.889 -9.474 -6.933 1.00 0.00 C ATOM 165 O ASN A 11 -0.189 -9.619 -7.916 1.00 0.00 O ATOM 166 CB ASN A 11 -1.261 -8.993 -4.516 1.00 0.00 C ATOM 167 CG ASN A 11 -1.231 -10.507 -4.287 1.00 0.00 C ATOM 168 OD1 ASN A 11 -2.135 -11.224 -4.670 1.00 0.00 O ATOM 169 ND2 ASN A 11 -0.211 -11.033 -3.666 1.00 0.00 N ATOM 0 H ASN A 11 -1.501 -6.798 -5.869 1.00 0.00 H new ATOM 0 HA ASN A 11 0.641 -8.866 -5.620 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.870 -8.475 -3.641 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.288 -8.656 -4.653 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.176 -12.040 -3.505 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.551 -10.438 -3.342 1.00 0.00 H new ATOM 176 N ASP A 12 -2.079 -9.982 -6.819 1.00 0.00 N ATOM 177 CA ASP A 12 -2.624 -10.813 -7.904 1.00 0.00 C ATOM 178 C ASP A 12 -4.067 -11.216 -7.588 1.00 0.00 C ATOM 179 O ASP A 12 -4.870 -10.382 -7.221 1.00 0.00 O ATOM 180 CB ASP A 12 -1.761 -12.100 -8.031 1.00 0.00 C ATOM 181 CG ASP A 12 -2.009 -12.741 -9.399 1.00 0.00 C ATOM 182 OD1 ASP A 12 -1.505 -12.180 -10.358 1.00 0.00 O ATOM 183 OD2 ASP A 12 -2.687 -13.754 -9.408 1.00 0.00 O ATOM 0 H ASP A 12 -2.695 -9.853 -6.016 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.606 -10.245 -8.834 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.705 -11.856 -7.917 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.014 -12.802 -7.236 1.00 0.00 H new ATOM 188 N TYR A 13 -4.361 -12.505 -7.716 1.00 0.00 N ATOM 189 CA TYR A 13 -5.749 -12.991 -7.432 1.00 0.00 C ATOM 190 C TYR A 13 -6.441 -12.169 -6.360 1.00 0.00 C ATOM 191 O TYR A 13 -6.261 -12.385 -5.179 1.00 0.00 O ATOM 192 CB TYR A 13 -5.708 -14.422 -6.941 1.00 0.00 C ATOM 193 CG TYR A 13 -4.900 -15.310 -7.901 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.518 -15.961 -8.957 1.00 0.00 C ATOM 195 CD2 TYR A 13 -3.554 -15.525 -7.683 1.00 0.00 C ATOM 196 CE1 TYR A 13 -4.801 -16.816 -9.769 1.00 0.00 C ATOM 197 CE2 TYR A 13 -2.838 -16.377 -8.499 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.455 -17.029 -9.548 1.00 0.00 C ATOM 199 OH TYR A 13 -2.739 -17.882 -10.363 1.00 0.00 O ATOM 0 H TYR A 13 -3.699 -13.226 -8.003 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.302 -12.903 -8.367 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.263 -14.457 -5.946 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.723 -14.808 -6.850 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.569 -15.798 -9.146 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.057 -15.022 -6.867 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.297 -17.323 -10.584 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.786 -16.535 -8.315 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.806 -17.913 -10.065 1.00 0.00 H new ATOM 209 N ALA A 14 -7.212 -11.250 -6.807 1.00 0.00 N ATOM 210 CA ALA A 14 -7.953 -10.371 -5.869 1.00 0.00 C ATOM 211 C ALA A 14 -9.191 -11.086 -5.339 1.00 0.00 C ATOM 212 O ALA A 14 -9.872 -11.778 -6.071 1.00 0.00 O ATOM 213 CB ALA A 14 -8.384 -9.099 -6.633 1.00 0.00 C ATOM 0 H ALA A 14 -7.371 -11.057 -7.796 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.313 -10.113 -5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.931 -8.438 -5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.500 -8.583 -7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.025 -9.377 -7.470 1.00 0.00 H new ATOM 219 N SER A 15 -9.460 -10.907 -4.078 1.00 0.00 N ATOM 220 CA SER A 15 -10.647 -11.571 -3.485 1.00 0.00 C ATOM 221 C SER A 15 -11.887 -11.341 -4.340 1.00 0.00 C ATOM 222 O SER A 15 -12.781 -12.163 -4.370 1.00 0.00 O ATOM 223 CB SER A 15 -10.889 -10.981 -2.087 1.00 0.00 C ATOM 224 OG SER A 15 -11.941 -11.774 -1.554 1.00 0.00 O ATOM 0 H SER A 15 -8.912 -10.333 -3.437 1.00 0.00 H new ATOM 0 HA SER A 15 -10.460 -12.643 -3.429 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.993 -11.040 -1.469 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.171 -9.929 -2.141 1.00 0.00 H new ATOM 0 HG SER A 15 -12.160 -11.462 -0.651 1.00 0.00 H new ATOM 230 N GLY A 16 -11.923 -10.224 -5.021 1.00 0.00 N ATOM 231 CA GLY A 16 -13.110 -9.929 -5.883 1.00 0.00 C ATOM 232 C GLY A 16 -13.270 -8.423 -6.084 1.00 0.00 C ATOM 233 O GLY A 16 -12.634 -7.634 -5.415 1.00 0.00 O ATOM 0 H GLY A 16 -11.193 -9.511 -5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.995 -10.420 -6.849 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.010 -10.337 -5.423 1.00 0.00 H new ATOM 237 N TYR A 17 -14.119 -8.057 -7.005 1.00 0.00 N ATOM 238 CA TYR A 17 -14.332 -6.611 -7.259 1.00 0.00 C ATOM 239 C TYR A 17 -14.645 -5.887 -5.953 1.00 0.00 C ATOM 240 O TYR A 17 -15.648 -6.148 -5.320 1.00 0.00 O ATOM 241 CB TYR A 17 -15.533 -6.450 -8.259 1.00 0.00 C ATOM 242 CG TYR A 17 -15.128 -5.525 -9.424 1.00 0.00 C ATOM 243 CD1 TYR A 17 -14.101 -5.879 -10.266 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.787 -4.330 -9.639 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.732 -5.060 -11.312 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.419 -3.506 -10.684 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.387 -3.866 -11.530 1.00 0.00 C ATOM 248 OH TYR A 17 -14.018 -3.044 -12.575 1.00 0.00 O ATOM 0 H TYR A 17 -14.667 -8.692 -7.585 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.429 -6.176 -7.686 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.829 -7.426 -8.644 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.397 -6.037 -7.739 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.577 -6.810 -10.106 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.596 -4.038 -8.985 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.924 -5.356 -11.965 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.941 -2.574 -10.841 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.113 -2.701 -12.418 1.00 0.00 H new ATOM 258 N HIS A 18 -13.772 -4.986 -5.578 1.00 0.00 N ATOM 259 CA HIS A 18 -13.980 -4.216 -4.312 1.00 0.00 C ATOM 260 C HIS A 18 -14.223 -2.767 -4.634 1.00 0.00 C ATOM 261 O HIS A 18 -15.153 -2.156 -4.146 1.00 0.00 O ATOM 262 CB HIS A 18 -12.693 -4.304 -3.475 1.00 0.00 C ATOM 263 CG HIS A 18 -12.311 -5.766 -3.278 1.00 0.00 C ATOM 264 ND1 HIS A 18 -11.151 -6.223 -3.373 1.00 0.00 N ATOM 265 CD2 HIS A 18 -13.109 -6.847 -2.957 1.00 0.00 C ATOM 266 CE1 HIS A 18 -11.128 -7.476 -3.146 1.00 0.00 C ATOM 267 NE2 HIS A 18 -12.339 -7.962 -2.871 1.00 0.00 N ATOM 0 H HIS A 18 -12.924 -4.750 -6.093 1.00 0.00 H new ATOM 0 HA HIS A 18 -14.833 -4.626 -3.772 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.885 -3.771 -3.975 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.842 -3.823 -2.508 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -10.329 -5.664 -3.603 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -14.177 -6.811 -2.799 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.231 -8.076 -3.173 1.00 0.00 H new ATOM 275 N TYR A 19 -13.367 -2.240 -5.462 1.00 0.00 N ATOM 276 CA TYR A 19 -13.484 -0.819 -5.866 1.00 0.00 C ATOM 277 C TYR A 19 -14.016 -0.740 -7.292 1.00 0.00 C ATOM 278 O TYR A 19 -15.210 -0.742 -7.518 1.00 0.00 O ATOM 279 CB TYR A 19 -12.048 -0.220 -5.806 1.00 0.00 C ATOM 280 CG TYR A 19 -11.814 0.332 -4.400 1.00 0.00 C ATOM 281 CD1 TYR A 19 -12.068 -0.455 -3.298 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.457 1.640 -4.212 1.00 0.00 C ATOM 283 CE1 TYR A 19 -11.982 0.065 -2.033 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.384 2.162 -2.932 1.00 0.00 C ATOM 285 CZ TYR A 19 -11.645 1.375 -1.842 1.00 0.00 C ATOM 286 OH TYR A 19 -11.575 1.895 -0.578 1.00 0.00 O ATOM 0 H TYR A 19 -12.583 -2.742 -5.879 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.165 -0.273 -5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.308 -0.985 -6.041 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.936 0.571 -6.548 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.338 -1.492 -3.432 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -11.232 2.265 -5.063 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.182 -0.566 -1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -11.119 3.199 -2.792 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.855 2.559 -0.537 1.00 0.00 H new ATOM 296 N GLY A 20 -13.115 -0.672 -8.220 1.00 0.00 N ATOM 297 CA GLY A 20 -13.510 -0.594 -9.659 1.00 0.00 C ATOM 298 C GLY A 20 -12.594 -1.517 -10.436 1.00 0.00 C ATOM 299 O GLY A 20 -12.439 -1.397 -11.636 1.00 0.00 O ATOM 0 H GLY A 20 -12.109 -0.667 -8.050 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.551 -0.891 -9.787 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.423 0.429 -10.025 1.00 0.00 H new ATOM 303 N VAL A 21 -12.009 -2.433 -9.713 1.00 0.00 N ATOM 304 CA VAL A 21 -11.088 -3.399 -10.338 1.00 0.00 C ATOM 305 C VAL A 21 -10.918 -4.618 -9.454 1.00 0.00 C ATOM 306 O VAL A 21 -11.159 -4.567 -8.265 1.00 0.00 O ATOM 307 CB VAL A 21 -9.679 -2.728 -10.481 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.655 -1.818 -11.716 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.330 -1.895 -9.180 1.00 0.00 C ATOM 0 H VAL A 21 -12.137 -2.547 -8.707 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.496 -3.694 -11.305 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.929 -3.510 -10.603 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.672 -1.356 -11.808 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.863 -2.409 -12.608 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.413 -1.042 -11.611 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.348 -1.435 -9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.080 -1.118 -9.034 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.321 -2.558 -8.315 1.00 0.00 H new ATOM 319 N TRP A 22 -10.507 -5.695 -10.049 1.00 0.00 N ATOM 320 CA TRP A 22 -10.313 -6.922 -9.241 1.00 0.00 C ATOM 321 C TRP A 22 -9.072 -6.709 -8.404 1.00 0.00 C ATOM 322 O TRP A 22 -8.035 -7.253 -8.693 1.00 0.00 O ATOM 323 CB TRP A 22 -10.080 -8.123 -10.187 1.00 0.00 C ATOM 324 CG TRP A 22 -11.271 -8.276 -11.130 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.315 -7.744 -12.333 1.00 0.00 C ATOM 326 CD2 TRP A 22 -12.379 -8.931 -10.855 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.525 -8.100 -12.797 1.00 0.00 N ATOM 328 CE2 TRP A 22 -13.267 -8.860 -11.915 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.737 -9.631 -9.714 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.496 -9.481 -11.837 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -13.970 -10.252 -9.642 1.00 0.00 C ATOM 332 CH2 TRP A 22 -14.846 -10.176 -10.701 1.00 0.00 C ATOM 0 H TRP A 22 -10.300 -5.780 -11.044 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.184 -7.121 -8.616 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.166 -7.973 -10.762 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.945 -9.035 -9.606 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.556 -7.158 -12.831 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.866 -7.832 -13.720 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -12.053 -9.691 -8.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -15.184 -9.422 -12.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -14.247 -10.798 -8.752 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -15.809 -10.662 -10.641 1.00 0.00 H new ATOM 343 N SER A 23 -9.208 -5.905 -7.366 1.00 0.00 N ATOM 344 CA SER A 23 -8.039 -5.615 -6.473 1.00 0.00 C ATOM 345 C SER A 23 -8.095 -6.402 -5.191 1.00 0.00 C ATOM 346 O SER A 23 -9.149 -6.709 -4.687 1.00 0.00 O ATOM 347 CB SER A 23 -8.030 -4.088 -6.155 1.00 0.00 C ATOM 348 OG SER A 23 -9.032 -3.553 -6.998 1.00 0.00 O ATOM 0 H SER A 23 -10.077 -5.441 -7.103 1.00 0.00 H new ATOM 0 HA SER A 23 -7.126 -5.911 -6.991 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.250 -3.899 -5.104 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.056 -3.644 -6.362 1.00 0.00 H new ATOM 0 HG SER A 23 -9.297 -2.668 -6.670 1.00 0.00 H new ATOM 354 N CYS A 24 -6.939 -6.698 -4.684 1.00 0.00 N ATOM 355 CA CYS A 24 -6.866 -7.468 -3.426 1.00 0.00 C ATOM 356 C CYS A 24 -7.373 -6.640 -2.251 1.00 0.00 C ATOM 357 O CYS A 24 -7.388 -5.427 -2.303 1.00 0.00 O ATOM 358 CB CYS A 24 -5.398 -7.846 -3.181 1.00 0.00 C ATOM 359 SG CYS A 24 -4.283 -6.531 -2.639 1.00 0.00 S ATOM 0 H CYS A 24 -6.040 -6.438 -5.089 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.490 -8.358 -3.511 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.374 -8.638 -2.433 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.000 -8.267 -4.104 1.00 0.00 H new ATOM 364 N GLU A 25 -7.782 -7.316 -1.213 1.00 0.00 N ATOM 365 CA GLU A 25 -8.292 -6.592 -0.023 1.00 0.00 C ATOM 366 C GLU A 25 -7.258 -5.611 0.508 1.00 0.00 C ATOM 367 O GLU A 25 -7.552 -4.453 0.730 1.00 0.00 O ATOM 368 CB GLU A 25 -8.602 -7.624 1.072 1.00 0.00 C ATOM 369 CG GLU A 25 -9.544 -8.690 0.506 1.00 0.00 C ATOM 370 CD GLU A 25 -9.995 -9.618 1.636 1.00 0.00 C ATOM 371 OE1 GLU A 25 -9.146 -10.360 2.100 1.00 0.00 O ATOM 372 OE2 GLU A 25 -11.165 -9.531 1.973 1.00 0.00 O ATOM 0 H GLU A 25 -7.784 -8.333 -1.140 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.184 -6.033 -0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.680 -8.086 1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.061 -7.134 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.409 -8.217 0.041 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.038 -9.263 -0.271 1.00 0.00 H new ATOM 379 N GLY A 26 -6.066 -6.089 0.700 1.00 0.00 N ATOM 380 CA GLY A 26 -4.990 -5.196 1.221 1.00 0.00 C ATOM 381 C GLY A 26 -4.978 -3.865 0.465 1.00 0.00 C ATOM 382 O GLY A 26 -4.779 -2.820 1.052 1.00 0.00 O ATOM 0 H GLY A 26 -5.786 -7.053 0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.145 -5.014 2.285 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.022 -5.687 1.119 1.00 0.00 H new ATOM 386 N CYS A 27 -5.188 -3.928 -0.820 1.00 0.00 N ATOM 387 CA CYS A 27 -5.190 -2.676 -1.614 1.00 0.00 C ATOM 388 C CYS A 27 -6.379 -1.807 -1.245 1.00 0.00 C ATOM 389 O CYS A 27 -6.234 -0.649 -0.976 1.00 0.00 O ATOM 390 CB CYS A 27 -5.261 -3.050 -3.115 1.00 0.00 C ATOM 391 SG CYS A 27 -3.703 -3.116 -4.002 1.00 0.00 S ATOM 0 H CYS A 27 -5.356 -4.785 -1.347 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.281 -2.112 -1.405 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.743 -4.024 -3.201 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.907 -2.329 -3.615 1.00 0.00 H new ATOM 396 N LYS A 28 -7.529 -2.378 -1.253 1.00 0.00 N ATOM 397 CA LYS A 28 -8.721 -1.582 -0.902 1.00 0.00 C ATOM 398 C LYS A 28 -8.532 -0.947 0.477 1.00 0.00 C ATOM 399 O LYS A 28 -8.861 0.199 0.680 1.00 0.00 O ATOM 400 CB LYS A 28 -9.969 -2.549 -0.945 1.00 0.00 C ATOM 401 CG LYS A 28 -10.748 -2.548 0.391 1.00 0.00 C ATOM 402 CD LYS A 28 -11.983 -3.442 0.250 1.00 0.00 C ATOM 403 CE LYS A 28 -12.554 -3.738 1.639 1.00 0.00 C ATOM 404 NZ LYS A 28 -13.897 -4.373 1.525 1.00 0.00 N ATOM 0 H LYS A 28 -7.702 -3.356 -1.485 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.877 -0.766 -1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.635 -2.246 -1.753 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.635 -3.562 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.111 -2.910 1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.046 -1.533 0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.734 -2.949 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.717 -4.372 -0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.878 -4.397 2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.629 -2.814 2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.271 -4.568 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.543 -3.731 1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.816 -5.265 0.996 1.00 0.00 H new ATOM 418 N ALA A 29 -8.000 -1.701 1.389 1.00 0.00 N ATOM 419 CA ALA A 29 -7.789 -1.145 2.745 1.00 0.00 C ATOM 420 C ALA A 29 -6.739 -0.050 2.705 1.00 0.00 C ATOM 421 O ALA A 29 -6.965 1.051 3.165 1.00 0.00 O ATOM 422 CB ALA A 29 -7.305 -2.276 3.669 1.00 0.00 C ATOM 0 H ALA A 29 -7.705 -2.668 1.257 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.724 -0.724 3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.145 -1.882 4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.057 -3.064 3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.370 -2.684 3.286 1.00 0.00 H new ATOM 428 N PHE A 30 -5.607 -0.372 2.155 1.00 0.00 N ATOM 429 CA PHE A 30 -4.527 0.636 2.072 1.00 0.00 C ATOM 430 C PHE A 30 -4.996 1.831 1.278 1.00 0.00 C ATOM 431 O PHE A 30 -4.858 2.961 1.686 1.00 0.00 O ATOM 432 CB PHE A 30 -3.332 0.004 1.316 1.00 0.00 C ATOM 433 CG PHE A 30 -2.335 1.111 0.917 1.00 0.00 C ATOM 434 CD1 PHE A 30 -1.358 1.537 1.799 1.00 0.00 C ATOM 435 CD2 PHE A 30 -2.459 1.755 -0.308 1.00 0.00 C ATOM 436 CE1 PHE A 30 -0.532 2.595 1.465 1.00 0.00 C ATOM 437 CE2 PHE A 30 -1.628 2.808 -0.634 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.672 3.224 0.251 1.00 0.00 C ATOM 0 H PHE A 30 -5.385 -1.286 1.761 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.245 0.948 3.077 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.838 -0.735 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.685 -0.520 0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.240 1.042 2.751 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.212 1.429 -1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.225 2.928 2.160 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.733 3.303 -1.588 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.025 4.050 -0.005 1.00 0.00 H new ATOM 448 N PHE A 31 -5.536 1.544 0.158 1.00 0.00 N ATOM 449 CA PHE A 31 -6.030 2.614 -0.713 1.00 0.00 C ATOM 450 C PHE A 31 -7.047 3.482 -0.003 1.00 0.00 C ATOM 451 O PHE A 31 -6.983 4.690 -0.096 1.00 0.00 O ATOM 452 CB PHE A 31 -6.647 1.927 -1.951 1.00 0.00 C ATOM 453 CG PHE A 31 -6.980 2.949 -3.040 1.00 0.00 C ATOM 454 CD1 PHE A 31 -6.006 3.773 -3.556 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.267 3.047 -3.525 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.310 4.670 -4.527 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.592 3.960 -4.503 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.610 4.774 -5.013 1.00 0.00 C ATOM 0 H PHE A 31 -5.661 0.598 -0.203 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.217 3.280 -1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.951 1.186 -2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.552 1.392 -1.661 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.994 3.705 -3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.034 2.396 -3.131 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.536 5.309 -4.926 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.607 4.035 -4.865 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.845 5.490 -5.786 1.00 0.00 H new ATOM 468 N LYS A 32 -7.965 2.885 0.702 1.00 0.00 N ATOM 469 CA LYS A 32 -8.964 3.735 1.403 1.00 0.00 C ATOM 470 C LYS A 32 -8.313 4.443 2.558 1.00 0.00 C ATOM 471 O LYS A 32 -8.898 5.314 3.171 1.00 0.00 O ATOM 472 CB LYS A 32 -10.135 2.849 1.931 1.00 0.00 C ATOM 473 CG LYS A 32 -11.449 3.658 1.887 1.00 0.00 C ATOM 474 CD LYS A 32 -12.488 3.004 2.811 1.00 0.00 C ATOM 475 CE LYS A 32 -12.857 1.622 2.264 1.00 0.00 C ATOM 476 NZ LYS A 32 -14.043 1.078 2.986 1.00 0.00 N ATOM 0 H LYS A 32 -8.067 1.877 0.822 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.355 4.472 0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.228 1.949 1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.929 2.524 2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.266 4.686 2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.829 3.698 0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.087 2.912 3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.378 3.630 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.072 1.691 1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.012 0.942 2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.282 0.140 2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.824 0.994 3.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.851 1.720 2.859 1.00 0.00 H new ATOM 490 N ARG A 33 -7.113 4.063 2.839 1.00 0.00 N ATOM 491 CA ARG A 33 -6.416 4.703 3.944 1.00 0.00 C ATOM 492 C ARG A 33 -6.096 6.137 3.587 1.00 0.00 C ATOM 493 O ARG A 33 -5.844 6.946 4.458 1.00 0.00 O ATOM 494 CB ARG A 33 -5.098 3.942 4.207 1.00 0.00 C ATOM 495 CG ARG A 33 -4.638 4.200 5.648 1.00 0.00 C ATOM 496 CD ARG A 33 -3.428 3.314 5.956 1.00 0.00 C ATOM 497 NE ARG A 33 -2.473 3.385 4.817 1.00 0.00 N ATOM 498 CZ ARG A 33 -1.422 2.610 4.814 1.00 0.00 C ATOM 499 NH1 ARG A 33 -1.570 1.348 5.109 1.00 0.00 N ATOM 500 NH2 ARG A 33 -0.260 3.123 4.517 1.00 0.00 N ATOM 0 H ARG A 33 -6.592 3.337 2.347 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.047 4.686 4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.244 2.874 4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.331 4.268 3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.377 5.250 5.777 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.448 3.985 6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.943 3.645 6.875 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.747 2.284 6.116 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.638 4.033 4.046 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.495 0.983 5.337 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.761 0.727 5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.183 4.115 4.292 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.571 2.532 4.510 1.00 0.00 H new ATOM 514 N SER A 34 -6.105 6.450 2.292 1.00 0.00 N ATOM 515 CA SER A 34 -5.787 7.870 1.917 1.00 0.00 C ATOM 516 C SER A 34 -6.469 8.392 0.635 1.00 0.00 C ATOM 517 O SER A 34 -6.968 9.498 0.638 1.00 0.00 O ATOM 518 CB SER A 34 -4.272 7.937 1.684 1.00 0.00 C ATOM 519 OG SER A 34 -3.712 7.790 2.981 1.00 0.00 O ATOM 0 H SER A 34 -6.309 5.813 1.522 1.00 0.00 H new ATOM 0 HA SER A 34 -6.157 8.494 2.730 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.937 7.145 1.014 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.981 8.884 1.230 1.00 0.00 H new ATOM 0 HG SER A 34 -2.874 7.286 2.920 1.00 0.00 H new ATOM 525 N ILE A 35 -6.543 7.581 -0.403 1.00 0.00 N ATOM 526 CA ILE A 35 -7.192 8.070 -1.689 1.00 0.00 C ATOM 527 C ILE A 35 -6.786 9.527 -1.983 1.00 0.00 C ATOM 528 O ILE A 35 -6.015 10.119 -1.262 1.00 0.00 O ATOM 529 CB ILE A 35 -8.742 7.967 -1.612 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.148 6.617 -1.025 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.351 8.084 -3.060 1.00 0.00 C ATOM 532 CD1 ILE A 35 -8.919 5.487 -2.062 1.00 0.00 C ATOM 0 H ILE A 35 -6.193 6.623 -0.425 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.840 7.429 -2.498 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.115 8.772 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.568 6.416 -0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.197 6.642 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.437 8.012 -3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.073 9.044 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.965 7.277 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.213 4.531 -1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.518 5.682 -2.951 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.864 5.453 -2.336 1.00 0.00 H new ATOM 544 N GLN A 36 -7.273 10.046 -3.074 1.00 0.00 N ATOM 545 CA GLN A 36 -6.938 11.447 -3.452 1.00 0.00 C ATOM 546 C GLN A 36 -5.437 11.611 -3.616 1.00 0.00 C ATOM 547 O GLN A 36 -4.655 11.041 -2.885 1.00 0.00 O ATOM 548 CB GLN A 36 -7.422 12.417 -2.371 1.00 0.00 C ATOM 549 CG GLN A 36 -8.912 12.183 -2.106 1.00 0.00 C ATOM 550 CD GLN A 36 -9.720 12.643 -3.322 1.00 0.00 C ATOM 551 OE1 GLN A 36 -10.087 13.796 -3.437 1.00 0.00 O ATOM 552 NE2 GLN A 36 -10.018 11.774 -4.250 1.00 0.00 N ATOM 0 H GLN A 36 -7.891 9.559 -3.723 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.434 11.668 -4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.851 12.271 -1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.255 13.446 -2.690 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.097 11.127 -1.910 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.226 12.731 -1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.712 10.805 -4.158 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.556 12.064 -5.066 1.00 0.00 H new ATOM 561 N GLY A 37 -5.063 12.394 -4.559 1.00 0.00 N ATOM 562 CA GLY A 37 -3.612 12.605 -4.786 1.00 0.00 C ATOM 563 C GLY A 37 -2.991 13.282 -3.578 1.00 0.00 C ATOM 564 O GLY A 37 -2.228 12.688 -2.842 1.00 0.00 O ATOM 0 H GLY A 37 -5.687 12.901 -5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.121 11.649 -4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.460 13.217 -5.675 1.00 0.00 H new ATOM 568 N HIS A 38 -3.336 14.518 -3.408 1.00 0.00 N ATOM 569 CA HIS A 38 -2.796 15.294 -2.259 1.00 0.00 C ATOM 570 C HIS A 38 -2.752 14.456 -0.980 1.00 0.00 C ATOM 571 O HIS A 38 -3.702 14.418 -0.223 1.00 0.00 O ATOM 572 CB HIS A 38 -3.714 16.501 -2.021 1.00 0.00 C ATOM 573 CG HIS A 38 -3.168 17.325 -0.854 1.00 0.00 C ATOM 574 ND1 HIS A 38 -2.304 18.221 -0.955 1.00 0.00 N ATOM 575 CD2 HIS A 38 -3.485 17.270 0.490 1.00 0.00 C ATOM 576 CE1 HIS A 38 -2.036 18.738 0.170 1.00 0.00 C ATOM 577 NE2 HIS A 38 -2.744 18.194 1.161 1.00 0.00 N ATOM 0 H HIS A 38 -3.973 15.032 -4.017 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.778 15.603 -2.498 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.769 17.114 -2.920 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.727 16.165 -1.802 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.206 16.601 0.937 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.315 19.530 0.311 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.733 18.412 2.157 1.00 0.00 H new ATOM 585 N ASN A 39 -1.644 13.800 -0.770 1.00 0.00 N ATOM 586 CA ASN A 39 -1.496 12.956 0.444 1.00 0.00 C ATOM 587 C ASN A 39 -0.023 12.754 0.760 1.00 0.00 C ATOM 588 O ASN A 39 0.827 12.941 -0.087 1.00 0.00 O ATOM 589 CB ASN A 39 -2.157 11.606 0.197 1.00 0.00 C ATOM 590 CG ASN A 39 -2.388 10.917 1.549 1.00 0.00 C ATOM 591 OD1 ASN A 39 -3.457 10.991 2.120 1.00 0.00 O ATOM 592 ND2 ASN A 39 -1.410 10.250 2.097 1.00 0.00 N ATOM 0 H ASN A 39 -0.834 13.814 -1.390 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.974 13.451 1.290 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.104 11.739 -0.326 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.525 10.987 -0.440 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.546 9.795 3.000 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.509 10.184 1.623 1.00 0.00 H new ATOM 599 N ASP A 40 0.255 12.373 1.971 1.00 0.00 N ATOM 600 CA ASP A 40 1.678 12.155 2.358 1.00 0.00 C ATOM 601 C ASP A 40 2.162 10.806 1.887 1.00 0.00 C ATOM 602 O ASP A 40 1.570 9.793 2.192 1.00 0.00 O ATOM 603 CB ASP A 40 1.790 12.206 3.882 1.00 0.00 C ATOM 604 CG ASP A 40 1.116 13.478 4.399 1.00 0.00 C ATOM 605 OD1 ASP A 40 -0.072 13.601 4.148 1.00 0.00 O ATOM 606 OD2 ASP A 40 1.826 14.254 5.017 1.00 0.00 O ATOM 0 H ASP A 40 -0.432 12.203 2.706 1.00 0.00 H new ATOM 0 HA ASP A 40 2.287 12.932 1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.319 11.327 4.322 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.838 12.189 4.181 1.00 0.00 H new ATOM 611 N TYR A 41 3.249 10.813 1.170 1.00 0.00 N ATOM 612 CA TYR A 41 3.799 9.531 0.662 1.00 0.00 C ATOM 613 C TYR A 41 5.216 9.705 0.127 1.00 0.00 C ATOM 614 O TYR A 41 5.515 10.669 -0.545 1.00 0.00 O ATOM 615 CB TYR A 41 2.905 9.047 -0.506 1.00 0.00 C ATOM 616 CG TYR A 41 1.652 8.360 0.052 1.00 0.00 C ATOM 617 CD1 TYR A 41 1.760 7.225 0.827 1.00 0.00 C ATOM 618 CD2 TYR A 41 0.403 8.900 -0.172 1.00 0.00 C ATOM 619 CE1 TYR A 41 0.628 6.641 1.379 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.726 8.327 0.380 1.00 0.00 C ATOM 621 CZ TYR A 41 -0.624 7.192 1.159 1.00 0.00 C ATOM 622 OH TYR A 41 -1.748 6.614 1.711 1.00 0.00 O ATOM 0 H TYR A 41 3.777 11.648 0.915 1.00 0.00 H new ATOM 0 HA TYR A 41 3.819 8.815 1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.620 9.892 -1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.460 8.354 -1.139 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.731 6.788 1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.306 9.782 -0.787 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.724 5.751 1.984 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.695 8.770 0.201 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.481 5.981 2.410 1.00 0.00 H new ATOM 632 N MET A 42 6.057 8.749 0.429 1.00 0.00 N ATOM 633 CA MET A 42 7.464 8.819 -0.050 1.00 0.00 C ATOM 634 C MET A 42 8.004 7.408 -0.282 1.00 0.00 C ATOM 635 O MET A 42 7.810 6.516 0.521 1.00 0.00 O ATOM 636 CB MET A 42 8.344 9.542 1.026 1.00 0.00 C ATOM 637 CG MET A 42 8.764 10.936 0.524 1.00 0.00 C ATOM 638 SD MET A 42 7.487 12.215 0.429 1.00 0.00 S ATOM 639 CE MET A 42 7.159 12.341 2.204 1.00 0.00 C ATOM 0 H MET A 42 5.828 7.926 0.986 1.00 0.00 H new ATOM 0 HA MET A 42 7.498 9.375 -0.987 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.787 9.636 1.958 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.229 8.944 1.243 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.558 11.302 1.175 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.196 10.819 -0.470 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.659 13.286 2.415 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.520 11.515 2.515 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.100 12.298 2.752 1.00 0.00 H new ATOM 649 N CYS A 43 8.668 7.248 -1.379 1.00 0.00 N ATOM 650 CA CYS A 43 9.246 5.917 -1.718 1.00 0.00 C ATOM 651 C CYS A 43 10.611 5.721 -0.987 1.00 0.00 C ATOM 652 O CYS A 43 11.459 6.588 -1.061 1.00 0.00 O ATOM 653 CB CYS A 43 9.503 5.896 -3.242 1.00 0.00 C ATOM 654 SG CYS A 43 10.183 4.374 -3.964 1.00 0.00 S ATOM 0 H CYS A 43 8.841 7.982 -2.066 1.00 0.00 H new ATOM 0 HA CYS A 43 8.561 5.126 -1.414 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.560 6.113 -3.744 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.185 6.713 -3.478 1.00 0.00 H new ATOM 659 N PRO A 44 10.809 4.589 -0.272 1.00 0.00 N ATOM 660 CA PRO A 44 12.082 4.358 0.433 1.00 0.00 C ATOM 661 C PRO A 44 13.248 4.144 -0.558 1.00 0.00 C ATOM 662 O PRO A 44 14.191 3.436 -0.261 1.00 0.00 O ATOM 663 CB PRO A 44 11.844 3.061 1.274 1.00 0.00 C ATOM 664 CG PRO A 44 10.476 2.458 0.812 1.00 0.00 C ATOM 665 CD PRO A 44 9.796 3.519 -0.092 1.00 0.00 C ATOM 0 HA PRO A 44 12.358 5.215 1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 44 12.652 2.347 1.118 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.824 3.291 2.339 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.629 1.527 0.266 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.848 2.224 1.671 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.503 3.090 -1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.890 3.909 0.373 1.00 0.00 H new ATOM 673 N ALA A 45 13.162 4.762 -1.707 1.00 0.00 N ATOM 674 CA ALA A 45 14.241 4.602 -2.708 1.00 0.00 C ATOM 675 C ALA A 45 14.229 5.750 -3.610 1.00 0.00 C ATOM 676 O ALA A 45 15.214 6.064 -4.250 1.00 0.00 O ATOM 677 CB ALA A 45 13.966 3.348 -3.516 1.00 0.00 C ATOM 0 H ALA A 45 12.391 5.367 -1.989 1.00 0.00 H new ATOM 0 HA ALA A 45 15.207 4.531 -2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.752 3.214 -4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.944 2.484 -2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.004 3.443 -4.019 1.00 0.00 H new ATOM 683 N THR A 46 13.106 6.350 -3.685 1.00 0.00 N ATOM 684 CA THR A 46 12.980 7.511 -4.549 1.00 0.00 C ATOM 685 C THR A 46 13.441 7.164 -5.972 1.00 0.00 C ATOM 686 O THR A 46 14.052 7.957 -6.656 1.00 0.00 O ATOM 687 CB THR A 46 13.868 8.618 -3.926 1.00 0.00 C ATOM 688 OG1 THR A 46 13.093 9.146 -2.869 1.00 0.00 O ATOM 689 CG2 THR A 46 14.070 9.818 -4.874 1.00 0.00 C ATOM 0 H THR A 46 12.261 6.083 -3.180 1.00 0.00 H new ATOM 0 HA THR A 46 11.946 7.846 -4.624 1.00 0.00 H new ATOM 0 HB THR A 46 14.836 8.191 -3.664 1.00 0.00 H new ATOM 0 HG1 THR A 46 13.594 9.859 -2.420 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.699 10.564 -4.388 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.551 9.480 -5.792 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.103 10.260 -5.113 1.00 0.00 H new ATOM 697 N ASN A 47 13.128 5.963 -6.385 1.00 0.00 N ATOM 698 CA ASN A 47 13.525 5.517 -7.750 1.00 0.00 C ATOM 699 C ASN A 47 12.498 4.543 -8.309 1.00 0.00 C ATOM 700 O ASN A 47 12.822 3.423 -8.642 1.00 0.00 O ATOM 701 CB ASN A 47 14.880 4.800 -7.648 1.00 0.00 C ATOM 702 CG ASN A 47 15.982 5.833 -7.397 1.00 0.00 C ATOM 703 OD1 ASN A 47 15.885 6.973 -7.803 1.00 0.00 O ATOM 704 ND2 ASN A 47 17.047 5.473 -6.732 1.00 0.00 N ATOM 0 H ASN A 47 12.615 5.274 -5.835 1.00 0.00 H new ATOM 0 HA ASN A 47 13.589 6.382 -8.410 1.00 0.00 H new ATOM 0 HB2 ASN A 47 14.858 4.071 -6.838 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.084 4.250 -8.567 1.00 0.00 H new ATOM 0 HD21 ASN A 47 17.791 6.148 -6.556 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.135 4.517 -6.388 1.00 0.00 H new ATOM 711 N GLN A 48 11.271 4.994 -8.393 1.00 0.00 N ATOM 712 CA GLN A 48 10.189 4.122 -8.927 1.00 0.00 C ATOM 713 C GLN A 48 10.061 2.834 -8.117 1.00 0.00 C ATOM 714 O GLN A 48 9.161 2.692 -7.314 1.00 0.00 O ATOM 715 CB GLN A 48 10.519 3.770 -10.394 1.00 0.00 C ATOM 716 CG GLN A 48 9.304 3.096 -11.039 1.00 0.00 C ATOM 717 CD GLN A 48 8.170 4.113 -11.174 1.00 0.00 C ATOM 718 OE1 GLN A 48 8.385 5.257 -11.525 1.00 0.00 O ATOM 719 NE2 GLN A 48 6.948 3.738 -10.908 1.00 0.00 N ATOM 0 H GLN A 48 10.975 5.929 -8.114 1.00 0.00 H new ATOM 0 HA GLN A 48 9.243 4.659 -8.860 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.784 4.672 -10.946 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.382 3.106 -10.435 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.571 2.701 -12.019 1.00 0.00 H new ATOM 0 HG3 GLN A 48 8.979 2.251 -10.432 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.761 2.780 -10.613 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.180 4.403 -10.995 1.00 0.00 H new ATOM 728 N CYS A 49 10.959 1.922 -8.340 1.00 0.00 N ATOM 729 CA CYS A 49 10.903 0.640 -7.592 1.00 0.00 C ATOM 730 C CYS A 49 9.632 -0.118 -7.932 1.00 0.00 C ATOM 731 O CYS A 49 8.578 0.466 -8.090 1.00 0.00 O ATOM 732 CB CYS A 49 10.922 0.946 -6.070 1.00 0.00 C ATOM 733 SG CYS A 49 9.352 0.817 -5.156 1.00 0.00 S ATOM 0 H CYS A 49 11.727 2.007 -9.005 1.00 0.00 H new ATOM 0 HA CYS A 49 11.762 0.028 -7.868 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.638 0.271 -5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 49 11.304 1.958 -5.937 1.00 0.00 H new ATOM 738 N THR A 50 9.752 -1.412 -8.036 1.00 0.00 N ATOM 739 CA THR A 50 8.556 -2.234 -8.367 1.00 0.00 C ATOM 740 C THR A 50 7.744 -2.522 -7.117 1.00 0.00 C ATOM 741 O THR A 50 8.280 -2.932 -6.106 1.00 0.00 O ATOM 742 CB THR A 50 9.029 -3.565 -8.966 1.00 0.00 C ATOM 743 OG1 THR A 50 9.574 -3.231 -10.227 1.00 0.00 O ATOM 744 CG2 THR A 50 7.834 -4.484 -9.291 1.00 0.00 C ATOM 0 H THR A 50 10.620 -1.932 -7.907 1.00 0.00 H new ATOM 0 HA THR A 50 7.933 -1.688 -9.075 1.00 0.00 H new ATOM 0 HB THR A 50 9.709 -4.060 -8.272 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.900 -4.043 -10.668 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.199 -5.420 -9.714 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.276 -4.692 -8.378 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.181 -3.991 -10.011 1.00 0.00 H new ATOM 752 N ILE A 51 6.456 -2.301 -7.203 1.00 0.00 N ATOM 753 CA ILE A 51 5.579 -2.556 -6.024 1.00 0.00 C ATOM 754 C ILE A 51 5.141 -4.029 -6.000 1.00 0.00 C ATOM 755 O ILE A 51 4.814 -4.603 -7.018 1.00 0.00 O ATOM 756 CB ILE A 51 4.346 -1.565 -6.125 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.315 -0.616 -4.911 1.00 0.00 C ATOM 758 CG2 ILE A 51 2.986 -2.332 -6.191 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.908 -1.384 -3.638 1.00 0.00 C ATOM 0 H ILE A 51 5.977 -1.957 -8.035 1.00 0.00 H new ATOM 0 HA ILE A 51 6.109 -2.375 -5.089 1.00 0.00 H new ATOM 0 HB ILE A 51 4.474 -0.996 -7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.296 -0.162 -4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.611 0.196 -5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.167 -1.616 -6.259 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.976 -2.980 -7.068 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.865 -2.936 -5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.891 -0.699 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.917 -1.817 -3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.628 -2.180 -3.447 1.00 0.00 H new ATOM 771 N ASP A 52 5.148 -4.592 -4.826 1.00 0.00 N ATOM 772 CA ASP A 52 4.746 -6.015 -4.663 1.00 0.00 C ATOM 773 C ASP A 52 5.061 -6.451 -3.233 1.00 0.00 C ATOM 774 O ASP A 52 4.178 -6.611 -2.413 1.00 0.00 O ATOM 775 CB ASP A 52 5.578 -6.884 -5.668 1.00 0.00 C ATOM 776 CG ASP A 52 4.730 -7.212 -6.905 1.00 0.00 C ATOM 777 OD1 ASP A 52 3.748 -7.910 -6.718 1.00 0.00 O ATOM 778 OD2 ASP A 52 5.118 -6.749 -7.965 1.00 0.00 O ATOM 0 H ASP A 52 5.418 -4.121 -3.962 1.00 0.00 H new ATOM 0 HA ASP A 52 3.681 -6.139 -4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.479 -6.348 -5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.901 -7.805 -5.184 1.00 0.00 H new ATOM 783 N LYS A 53 6.323 -6.633 -2.973 1.00 0.00 N ATOM 784 CA LYS A 53 6.752 -7.052 -1.618 1.00 0.00 C ATOM 785 C LYS A 53 5.838 -8.126 -1.032 1.00 0.00 C ATOM 786 O LYS A 53 6.072 -9.303 -1.223 1.00 0.00 O ATOM 787 CB LYS A 53 6.720 -5.809 -0.717 1.00 0.00 C ATOM 788 CG LYS A 53 7.698 -4.743 -1.281 1.00 0.00 C ATOM 789 CD LYS A 53 9.108 -4.985 -0.726 1.00 0.00 C ATOM 790 CE LYS A 53 10.031 -3.865 -1.211 1.00 0.00 C ATOM 791 NZ LYS A 53 11.396 -4.027 -0.636 1.00 0.00 N ATOM 0 H LYS A 53 7.079 -6.508 -3.647 1.00 0.00 H new ATOM 0 HA LYS A 53 7.752 -7.480 -1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.709 -5.404 -0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.002 -6.076 0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.713 -4.790 -2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.357 -3.744 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.085 -5.009 0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.483 -5.953 -1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.085 -3.876 -2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.621 -2.897 -0.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.009 -3.259 -0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.342 -3.994 0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.791 -4.942 -0.933 1.00 0.00 H new ATOM 805 N ASN A 54 4.805 -7.712 -0.325 1.00 0.00 N ATOM 806 CA ASN A 54 3.888 -8.728 0.267 1.00 0.00 C ATOM 807 C ASN A 54 2.504 -8.164 0.570 1.00 0.00 C ATOM 808 O ASN A 54 1.506 -8.760 0.214 1.00 0.00 O ATOM 809 CB ASN A 54 4.511 -9.221 1.584 1.00 0.00 C ATOM 810 CG ASN A 54 5.758 -10.050 1.274 1.00 0.00 C ATOM 811 OD1 ASN A 54 5.689 -11.076 0.627 1.00 0.00 O ATOM 812 ND2 ASN A 54 6.917 -9.640 1.715 1.00 0.00 N ATOM 0 H ASN A 54 4.567 -6.738 -0.140 1.00 0.00 H new ATOM 0 HA ASN A 54 3.764 -9.533 -0.458 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.772 -8.372 2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.790 -9.821 2.139 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.759 -10.181 1.516 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.980 -8.779 2.259 1.00 0.00 H new ATOM 819 N ARG A 55 2.452 -7.024 1.218 1.00 0.00 N ATOM 820 CA ARG A 55 1.120 -6.430 1.542 1.00 0.00 C ATOM 821 C ARG A 55 1.146 -4.911 1.493 1.00 0.00 C ATOM 822 O ARG A 55 0.974 -4.312 0.451 1.00 0.00 O ATOM 823 CB ARG A 55 0.741 -6.907 2.964 1.00 0.00 C ATOM 824 CG ARG A 55 -0.675 -6.428 3.313 1.00 0.00 C ATOM 825 CD ARG A 55 -1.023 -6.878 4.741 1.00 0.00 C ATOM 826 NE ARG A 55 -2.504 -6.882 4.901 1.00 0.00 N ATOM 827 CZ ARG A 55 -3.041 -7.546 5.890 1.00 0.00 C ATOM 828 NH1 ARG A 55 -3.108 -8.847 5.812 1.00 0.00 N ATOM 829 NH2 ARG A 55 -3.489 -6.886 6.923 1.00 0.00 N ATOM 0 H ARG A 55 3.261 -6.488 1.531 1.00 0.00 H new ATOM 0 HA ARG A 55 0.388 -6.754 0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.791 -7.995 3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.455 -6.519 3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.734 -5.342 3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.395 -6.837 2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.621 -7.873 4.930 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.568 -6.207 5.469 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.094 -6.371 4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.745 -9.328 4.989 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.524 -9.383 6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.417 -5.869 6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.911 -7.387 7.704 1.00 0.00 H new ATOM 843 N ARG A 56 1.356 -4.329 2.612 1.00 0.00 N ATOM 844 CA ARG A 56 1.401 -2.830 2.699 1.00 0.00 C ATOM 845 C ARG A 56 2.436 -2.370 3.715 1.00 0.00 C ATOM 846 O ARG A 56 2.366 -1.268 4.219 1.00 0.00 O ATOM 847 CB ARG A 56 0.009 -2.334 3.153 1.00 0.00 C ATOM 848 CG ARG A 56 -0.397 -3.021 4.510 1.00 0.00 C ATOM 849 CD ARG A 56 -0.351 -1.994 5.658 1.00 0.00 C ATOM 850 NE ARG A 56 -0.799 -2.653 6.917 1.00 0.00 N ATOM 851 CZ ARG A 56 -0.991 -1.929 7.986 1.00 0.00 C ATOM 852 NH1 ARG A 56 -2.103 -1.255 8.100 1.00 0.00 N ATOM 853 NH2 ARG A 56 -0.064 -1.902 8.904 1.00 0.00 N ATOM 0 H ARG A 56 1.503 -4.815 3.497 1.00 0.00 H new ATOM 0 HA ARG A 56 1.671 -2.425 1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.023 -1.251 3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.733 -2.559 2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.399 -3.442 4.428 1.00 0.00 H new ATOM 0 HG3 ARG A 56 0.279 -3.848 4.724 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.661 -1.606 5.776 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.994 -1.144 5.429 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.954 -3.661 6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.804 -1.300 7.361 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.271 -0.684 8.928 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.793 -2.441 8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.196 -1.342 9.746 1.00 0.00 H new ATOM 867 N LYS A 57 3.391 -3.227 3.991 1.00 0.00 N ATOM 868 CA LYS A 57 4.460 -2.871 4.981 1.00 0.00 C ATOM 869 C LYS A 57 5.784 -2.599 4.276 1.00 0.00 C ATOM 870 O LYS A 57 6.826 -3.042 4.714 1.00 0.00 O ATOM 871 CB LYS A 57 4.644 -4.062 5.933 1.00 0.00 C ATOM 872 CG LYS A 57 3.318 -4.334 6.652 1.00 0.00 C ATOM 873 CD LYS A 57 3.418 -5.655 7.425 1.00 0.00 C ATOM 874 CE LYS A 57 4.556 -5.569 8.448 1.00 0.00 C ATOM 875 NZ LYS A 57 4.606 -4.214 9.070 1.00 0.00 N ATOM 0 H LYS A 57 3.477 -4.155 3.576 1.00 0.00 H new ATOM 0 HA LYS A 57 4.163 -1.973 5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.958 -4.945 5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.429 -3.847 6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.088 -3.517 7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.504 -4.384 5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.476 -5.864 7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.598 -6.479 6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.414 -6.324 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.507 -5.786 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.069 -4.275 9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.145 -3.570 8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.639 -3.850 9.188 1.00 0.00 H new ATOM 889 N SER A 58 5.715 -1.869 3.190 1.00 0.00 N ATOM 890 CA SER A 58 6.960 -1.545 2.427 1.00 0.00 C ATOM 891 C SER A 58 6.848 -0.164 1.790 1.00 0.00 C ATOM 892 O SER A 58 6.878 0.835 2.482 1.00 0.00 O ATOM 893 CB SER A 58 7.138 -2.590 1.325 1.00 0.00 C ATOM 894 OG SER A 58 7.312 -3.811 2.029 1.00 0.00 O ATOM 0 H SER A 58 4.854 -1.485 2.800 1.00 0.00 H new ATOM 0 HA SER A 58 7.813 -1.551 3.106 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.269 -2.629 0.669 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.001 -2.365 0.698 1.00 0.00 H new ATOM 0 HG SER A 58 6.602 -4.438 1.778 1.00 0.00 H new ATOM 900 N CYS A 59 6.718 -0.113 0.472 1.00 0.00 N ATOM 901 CA CYS A 59 6.605 1.217 -0.185 1.00 0.00 C ATOM 902 C CYS A 59 5.157 1.648 -0.193 1.00 0.00 C ATOM 903 O CYS A 59 4.378 1.211 -1.017 1.00 0.00 O ATOM 904 CB CYS A 59 7.100 1.123 -1.632 1.00 0.00 C ATOM 905 SG CYS A 59 7.226 2.690 -2.525 1.00 0.00 S ATOM 0 H CYS A 59 6.687 -0.920 -0.151 1.00 0.00 H new ATOM 0 HA CYS A 59 7.209 1.940 0.363 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.081 0.648 -1.630 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.428 0.465 -2.184 1.00 0.00 H new ATOM 910 N GLN A 60 4.816 2.505 0.724 1.00 0.00 N ATOM 911 CA GLN A 60 3.415 2.986 0.800 1.00 0.00 C ATOM 912 C GLN A 60 3.158 4.172 -0.117 1.00 0.00 C ATOM 913 O GLN A 60 2.121 4.779 -0.042 1.00 0.00 O ATOM 914 CB GLN A 60 3.143 3.406 2.256 1.00 0.00 C ATOM 915 CG GLN A 60 2.938 2.151 3.107 1.00 0.00 C ATOM 916 CD GLN A 60 2.778 2.554 4.574 1.00 0.00 C ATOM 917 OE1 GLN A 60 2.199 3.575 4.891 1.00 0.00 O ATOM 918 NE2 GLN A 60 3.276 1.781 5.499 1.00 0.00 N ATOM 0 H GLN A 60 5.448 2.893 1.424 1.00 0.00 H new ATOM 0 HA GLN A 60 2.754 2.182 0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.979 3.990 2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.260 4.043 2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.055 1.609 2.769 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.788 1.478 2.994 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.763 0.923 5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.179 2.034 6.482 1.00 0.00 H new ATOM 927 N ALA A 61 4.104 4.490 -0.964 1.00 0.00 N ATOM 928 CA ALA A 61 3.899 5.651 -1.896 1.00 0.00 C ATOM 929 C ALA A 61 3.656 5.140 -3.289 1.00 0.00 C ATOM 930 O ALA A 61 2.709 5.538 -3.937 1.00 0.00 O ATOM 931 CB ALA A 61 5.156 6.543 -1.873 1.00 0.00 C ATOM 0 H ALA A 61 4.998 4.007 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 61 3.035 6.234 -1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.015 7.388 -2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.323 6.910 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.020 5.962 -2.195 1.00 0.00 H new ATOM 937 N CYS A 62 4.498 4.268 -3.745 1.00 0.00 N ATOM 938 CA CYS A 62 4.281 3.748 -5.095 1.00 0.00 C ATOM 939 C CYS A 62 2.994 2.953 -5.081 1.00 0.00 C ATOM 940 O CYS A 62 2.354 2.796 -6.091 1.00 0.00 O ATOM 941 CB CYS A 62 5.456 2.831 -5.490 1.00 0.00 C ATOM 942 SG CYS A 62 7.017 3.626 -5.958 1.00 0.00 S ATOM 0 H CYS A 62 5.310 3.903 -3.247 1.00 0.00 H new ATOM 0 HA CYS A 62 4.217 4.563 -5.816 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.657 2.162 -4.653 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.132 2.209 -6.324 1.00 0.00 H new ATOM 947 N ARG A 63 2.630 2.455 -3.911 1.00 0.00 N ATOM 948 CA ARG A 63 1.385 1.676 -3.830 1.00 0.00 C ATOM 949 C ARG A 63 0.231 2.554 -4.255 1.00 0.00 C ATOM 950 O ARG A 63 -0.504 2.227 -5.167 1.00 0.00 O ATOM 951 CB ARG A 63 1.177 1.229 -2.373 1.00 0.00 C ATOM 952 CG ARG A 63 -0.043 0.286 -2.292 1.00 0.00 C ATOM 953 CD ARG A 63 0.066 -0.596 -1.036 1.00 0.00 C ATOM 954 NE ARG A 63 0.964 -1.765 -1.346 1.00 0.00 N ATOM 955 CZ ARG A 63 2.147 -1.871 -0.773 1.00 0.00 C ATOM 956 NH1 ARG A 63 2.720 -0.803 -0.288 1.00 0.00 N ATOM 957 NH2 ARG A 63 2.708 -3.048 -0.707 1.00 0.00 N ATOM 0 H ARG A 63 3.144 2.563 -3.037 1.00 0.00 H new ATOM 0 HA ARG A 63 1.441 0.803 -4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.068 0.720 -2.007 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.021 2.098 -1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.964 0.869 -2.260 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.092 -0.339 -3.184 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.469 -0.020 -0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.921 -0.947 -0.733 1.00 0.00 H new ATOM 0 HE ARG A 63 0.655 -2.480 -2.004 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.253 0.101 -0.354 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.635 -0.873 0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.232 -3.862 -1.094 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.623 -3.153 -0.268 1.00 0.00 H new ATOM 971 N LEU A 64 0.086 3.664 -3.582 1.00 0.00 N ATOM 972 CA LEU A 64 -1.010 4.578 -3.936 1.00 0.00 C ATOM 973 C LEU A 64 -0.929 4.950 -5.408 1.00 0.00 C ATOM 974 O LEU A 64 -1.885 4.828 -6.134 1.00 0.00 O ATOM 975 CB LEU A 64 -0.892 5.864 -3.088 1.00 0.00 C ATOM 976 CG LEU A 64 -2.076 6.820 -3.430 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.368 6.374 -2.646 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.693 8.270 -3.042 1.00 0.00 C ATOM 0 H LEU A 64 0.680 3.966 -2.810 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.961 4.083 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.905 5.616 -2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.059 6.359 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.282 6.776 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.191 7.046 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.634 5.356 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.174 6.411 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.519 8.941 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.483 8.317 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.807 8.574 -3.599 1.00 0.00 H new ATOM 990 N ARG A 65 0.191 5.433 -5.825 1.00 0.00 N ATOM 991 CA ARG A 65 0.299 5.799 -7.248 1.00 0.00 C ATOM 992 C ARG A 65 -0.028 4.584 -8.088 1.00 0.00 C ATOM 993 O ARG A 65 -0.604 4.692 -9.150 1.00 0.00 O ATOM 994 CB ARG A 65 1.760 6.273 -7.530 1.00 0.00 C ATOM 995 CG ARG A 65 1.848 7.813 -7.376 1.00 0.00 C ATOM 996 CD ARG A 65 1.506 8.503 -8.722 1.00 0.00 C ATOM 997 NE ARG A 65 0.612 7.616 -9.526 1.00 0.00 N ATOM 998 CZ ARG A 65 0.374 7.912 -10.775 1.00 0.00 C ATOM 999 NH1 ARG A 65 1.382 8.092 -11.585 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -0.864 8.017 -11.174 1.00 0.00 N ATOM 0 H ARG A 65 1.023 5.589 -5.256 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.395 6.602 -7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.450 5.789 -6.839 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.060 5.981 -8.536 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.159 8.149 -6.601 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.851 8.098 -7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.017 9.459 -8.538 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.420 8.714 -9.277 1.00 0.00 H new ATOM 0 HE ARG A 65 0.192 6.788 -9.103 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.337 8.001 -11.239 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.214 8.324 -12.564 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.627 7.868 -10.514 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.069 8.248 -12.146 1.00 0.00 H new ATOM 1014 N LYS A 66 0.346 3.438 -7.588 1.00 0.00 N ATOM 1015 CA LYS A 66 0.065 2.203 -8.334 1.00 0.00 C ATOM 1016 C LYS A 66 -1.366 1.820 -8.100 1.00 0.00 C ATOM 1017 O LYS A 66 -1.860 0.911 -8.711 1.00 0.00 O ATOM 1018 CB LYS A 66 0.983 1.078 -7.828 1.00 0.00 C ATOM 1019 CG LYS A 66 2.443 1.338 -8.298 1.00 0.00 C ATOM 1020 CD LYS A 66 2.672 0.685 -9.666 1.00 0.00 C ATOM 1021 CE LYS A 66 4.037 1.116 -10.206 1.00 0.00 C ATOM 1022 NZ LYS A 66 4.335 0.420 -11.489 1.00 0.00 N ATOM 0 H LYS A 66 0.831 3.315 -6.699 1.00 0.00 H new ATOM 0 HA LYS A 66 0.243 2.360 -9.398 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.945 1.027 -6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.636 0.116 -8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.629 2.410 -8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.147 0.934 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.629 -0.400 -9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.884 0.979 -10.359 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.049 2.195 -10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.812 0.889 -9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.265 0.724 -11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.344 -0.608 -11.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.605 0.657 -12.190 1.00 0.00 H new ATOM 1036 N CYS A 67 -1.999 2.502 -7.151 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.424 2.196 -6.858 1.00 0.00 C ATOM 1038 C CYS A 67 -4.260 3.019 -7.792 1.00 0.00 C ATOM 1039 O CYS A 67 -5.335 2.636 -8.159 1.00 0.00 O ATOM 1040 CB CYS A 67 -3.787 2.587 -5.420 1.00 0.00 C ATOM 1041 SG CYS A 67 -3.021 1.647 -4.075 1.00 0.00 S ATOM 0 H CYS A 67 -1.584 3.242 -6.585 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.598 1.127 -6.982 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.531 3.638 -5.283 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.869 2.506 -5.313 1.00 0.00 H new ATOM 0 HG CYS A 67 -1.795 1.354 -4.394 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.756 4.187 -8.126 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.514 5.065 -9.056 1.00 0.00 C ATOM 1049 C TYR A 68 -4.184 4.656 -10.483 1.00 0.00 C ATOM 1050 O TYR A 68 -5.020 4.728 -11.362 1.00 0.00 O ATOM 1051 CB TYR A 68 -4.061 6.537 -8.884 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.369 7.103 -7.475 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.631 6.987 -6.893 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.409 7.865 -6.818 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.908 7.631 -5.695 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.708 8.505 -5.643 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.945 8.389 -5.079 1.00 0.00 C ATOM 1058 OH TYR A 68 -5.215 9.015 -3.916 1.00 0.00 O ATOM 0 H TYR A 68 -2.865 4.559 -7.796 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.579 4.971 -8.845 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.989 6.606 -9.071 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.556 7.154 -9.634 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.394 6.395 -7.375 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.418 7.954 -7.238 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.886 7.535 -5.246 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.955 9.108 -5.158 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.450 9.572 -3.659 1.00 0.00 H new ATOM 1068 N GLU A 69 -2.949 4.227 -10.694 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.545 3.804 -12.064 1.00 0.00 C ATOM 1070 C GLU A 69 -3.525 2.786 -12.560 1.00 0.00 C ATOM 1071 O GLU A 69 -3.639 2.496 -13.735 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.152 3.170 -11.961 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.509 3.127 -13.349 1.00 0.00 C ATOM 1074 CD GLU A 69 0.794 2.331 -13.277 1.00 0.00 C ATOM 1075 OE1 GLU A 69 0.706 1.130 -13.476 1.00 0.00 O ATOM 1076 OE2 GLU A 69 1.805 2.967 -13.028 1.00 0.00 O ATOM 0 H GLU A 69 -2.223 4.157 -9.981 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.527 4.651 -12.750 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.528 3.745 -11.277 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.228 2.162 -11.552 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.191 2.667 -14.064 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.311 4.139 -13.703 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.198 2.287 -11.625 1.00 0.00 N ATOM 1084 CA VAL A 70 -5.229 1.267 -11.858 1.00 0.00 C ATOM 1085 C VAL A 70 -6.396 1.840 -12.592 1.00 0.00 C ATOM 1086 O VAL A 70 -6.800 1.386 -13.644 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.759 0.880 -10.474 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.844 -0.181 -10.586 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.644 0.366 -9.598 1.00 0.00 C ATOM 0 H VAL A 70 -4.083 2.547 -10.645 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.803 0.442 -12.428 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.184 1.776 -10.022 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.204 -0.439 -9.590 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.671 0.205 -11.182 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.435 -1.070 -11.066 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.044 0.097 -8.620 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.194 -0.513 -10.060 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.887 1.141 -9.480 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.898 2.840 -11.988 1.00 0.00 N ATOM 1100 CA GLY A 71 -8.071 3.572 -12.521 1.00 0.00 C ATOM 1101 C GLY A 71 -9.264 3.162 -11.661 1.00 0.00 C ATOM 1102 O GLY A 71 -10.373 3.031 -12.139 1.00 0.00 O ATOM 0 H GLY A 71 -6.539 3.209 -11.107 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.911 4.649 -12.474 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.242 3.321 -13.568 1.00 0.00 H new ATOM 1106 N MET A 72 -8.988 2.968 -10.381 1.00 0.00 N ATOM 1107 CA MET A 72 -10.086 2.556 -9.438 1.00 0.00 C ATOM 1108 C MET A 72 -10.913 3.723 -9.004 1.00 0.00 C ATOM 1109 O MET A 72 -12.073 3.852 -9.331 1.00 0.00 O ATOM 1110 CB MET A 72 -9.498 1.912 -8.094 1.00 0.00 C ATOM 1111 CG MET A 72 -7.978 2.073 -8.002 1.00 0.00 C ATOM 1112 SD MET A 72 -7.264 2.083 -6.362 1.00 0.00 S ATOM 1113 CE MET A 72 -8.091 0.598 -5.829 1.00 0.00 C ATOM 0 H MET A 72 -8.066 3.076 -9.958 1.00 0.00 H new ATOM 0 HA MET A 72 -10.686 1.835 -9.993 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.966 2.384 -7.230 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.754 0.853 -8.056 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.516 1.264 -8.568 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.705 3.005 -8.497 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.608 0.215 -4.930 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.136 0.821 -5.612 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.036 -0.152 -6.618 1.00 0.00 H new ATOM 1123 N MET A 73 -10.267 4.524 -8.251 1.00 0.00 N ATOM 1124 CA MET A 73 -10.894 5.732 -7.701 1.00 0.00 C ATOM 1125 C MET A 73 -11.953 5.270 -6.753 1.00 0.00 C ATOM 1126 O MET A 73 -12.831 4.518 -7.127 1.00 0.00 O ATOM 1127 CB MET A 73 -11.522 6.595 -8.806 1.00 0.00 C ATOM 1128 CG MET A 73 -10.502 6.815 -9.928 1.00 0.00 C ATOM 1129 SD MET A 73 -11.044 7.776 -11.364 1.00 0.00 S ATOM 1130 CE MET A 73 -11.743 6.398 -12.306 1.00 0.00 C ATOM 0 H MET A 73 -9.293 4.392 -7.980 1.00 0.00 H new ATOM 0 HA MET A 73 -10.146 6.350 -7.203 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.413 6.106 -9.201 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.840 7.554 -8.396 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.631 7.310 -9.500 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.172 5.838 -10.281 1.00 0.00 H new ATOM 0 HE1 MET A 73 -12.144 6.768 -13.250 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.964 5.662 -12.506 1.00 0.00 H new ATOM 0 HE3 MET A 73 -12.543 5.932 -11.730 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.857 5.708 -5.535 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.867 5.290 -4.530 1.00 0.00 C ATOM 1142 C LYS A 74 -14.282 5.239 -5.135 1.00 0.00 C ATOM 1143 O LYS A 74 -15.138 4.521 -4.658 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.849 6.288 -3.342 1.00 0.00 C ATOM 1145 CG LYS A 74 -14.107 6.092 -2.467 1.00 0.00 C ATOM 1146 CD LYS A 74 -13.902 6.786 -1.115 1.00 0.00 C ATOM 1147 CE LYS A 74 -15.076 6.443 -0.190 1.00 0.00 C ATOM 1148 NZ LYS A 74 -16.340 6.326 -0.970 1.00 0.00 N ATOM 0 H LYS A 74 -11.128 6.334 -5.192 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.611 4.287 -4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.952 6.136 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.812 7.311 -3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.981 6.504 -2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.297 5.029 -2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.963 6.463 -0.666 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.835 7.865 -1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.875 5.506 0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.183 7.214 0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.151 6.331 -0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.418 7.129 -1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.334 5.437 -1.509 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.490 6.005 -6.170 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.833 6.016 -6.814 1.00 0.00 C ATOM 1164 C GLY A 75 -15.835 6.955 -8.023 1.00 0.00 C ATOM 1165 O GLY A 75 -15.058 7.894 -7.980 1.00 0.00 O ATOM 1166 OXT GLY A 75 -16.613 6.678 -8.921 1.00 0.00 O ATOM 0 H GLY A 75 -13.795 6.619 -6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.101 5.007 -7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.586 6.337 -6.094 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -3.247 -5.342 -4.315 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 8.526 2.839 -4.415 1.00 0.00 ZN