USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 645 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.113 (180deg=-0.263) USER MOD Single : A 2 ASN : amide:sc= -1.95 K(o=-1.9,f=-3.7!) USER MOD Single : A 5 HIS : no HD1:sc= -0.0874 X(o=-0.087,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -6.84! C(o=-6.8!,f=-7.8!) USER MOD Single : A 16 GLN : amide:sc= 0.00592 K(o=0.0059,f=-0.73) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= -0.0185 (180deg=-0.429) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -30:sc= -1.74 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -140:sc= -0.063 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -26:sc= 0.332 USER MOD Single : A 62 CYS SG : rot -115:sc= -0.437 USER MOD Single : A 64 LYS NZ :NH3+ -120:sc= -2.5! (180deg=-3.61!) USER MOD Single : A 69 SER OG : rot 105:sc= 1.23 USER MOD Single : A 70 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-3.9) USER MOD Single : A 74 HIS :FLIP no HD1:sc= -0.971 F(o=-1.8!,f=-0.97) USER MOD Single : A 76 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.685 -2.964 -13.684 1.00 0.00 N ATOM 2 CA MET A 1 4.926 -3.282 -12.924 1.00 0.00 C ATOM 3 C MET A 1 5.681 -1.985 -12.630 1.00 0.00 C ATOM 4 O MET A 1 6.526 -1.930 -11.759 1.00 0.00 O ATOM 5 CB MET A 1 5.811 -4.212 -13.762 1.00 0.00 C ATOM 6 CG MET A 1 7.044 -4.621 -12.954 1.00 0.00 C ATOM 7 SD MET A 1 8.030 -5.802 -13.910 1.00 0.00 S ATOM 8 CE MET A 1 9.037 -4.594 -14.806 1.00 0.00 C ATOM 0 H1 MET A 1 3.093 -3.816 -13.755 1.00 0.00 H new ATOM 0 H2 MET A 1 3.158 -2.216 -13.190 1.00 0.00 H new ATOM 0 H3 MET A 1 3.937 -2.637 -14.639 1.00 0.00 H new ATOM 0 HA MET A 1 4.668 -3.775 -11.987 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.248 -5.097 -14.056 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.117 -3.709 -14.680 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.642 -3.742 -12.714 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.740 -5.068 -12.007 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.729 -5.116 -15.467 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.389 -3.947 -15.397 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.600 -3.991 -14.094 1.00 0.00 H new ATOM 20 N ASN A 2 5.378 -0.942 -13.353 1.00 0.00 N ATOM 21 CA ASN A 2 6.076 0.355 -13.127 1.00 0.00 C ATOM 22 C ASN A 2 5.567 0.999 -11.834 1.00 0.00 C ATOM 23 O ASN A 2 4.393 0.957 -11.525 1.00 0.00 O ATOM 24 CB ASN A 2 5.812 1.286 -14.313 1.00 0.00 C ATOM 25 CG ASN A 2 4.311 1.568 -14.430 1.00 0.00 C ATOM 26 OD1 ASN A 2 3.712 2.123 -13.530 1.00 0.00 O ATOM 27 ND2 ASN A 2 3.674 1.204 -15.511 1.00 0.00 N ATOM 0 H ASN A 2 4.675 -0.932 -14.092 1.00 0.00 H new ATOM 0 HA ASN A 2 7.148 0.181 -13.036 1.00 0.00 H new ATOM 0 HB2 ASN A 2 6.357 2.221 -14.181 1.00 0.00 H new ATOM 0 HB3 ASN A 2 6.178 0.830 -15.233 1.00 0.00 H new ATOM 0 HD21 ASN A 2 2.674 1.386 -15.599 1.00 0.00 H new ATOM 0 HD22 ASN A 2 4.176 0.738 -16.267 1.00 0.00 H new ATOM 34 N VAL A 3 6.452 1.591 -11.074 1.00 0.00 N ATOM 35 CA VAL A 3 6.040 2.237 -9.791 1.00 0.00 C ATOM 36 C VAL A 3 5.616 3.682 -10.053 1.00 0.00 C ATOM 37 O VAL A 3 6.031 4.297 -11.015 1.00 0.00 O ATOM 38 CB VAL A 3 7.215 2.218 -8.811 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.606 0.768 -8.526 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.411 2.957 -9.422 1.00 0.00 C ATOM 0 H VAL A 3 7.447 1.655 -11.288 1.00 0.00 H new ATOM 0 HA VAL A 3 5.200 1.688 -9.364 1.00 0.00 H new ATOM 0 HB VAL A 3 6.923 2.712 -7.884 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.443 0.747 -7.828 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.757 0.241 -8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.897 0.280 -9.456 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.245 2.941 -8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.707 2.466 -10.349 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.132 3.990 -9.631 1.00 0.00 H new ATOM 50 N ALA A 4 4.784 4.226 -9.197 1.00 0.00 N ATOM 51 CA ALA A 4 4.307 5.634 -9.376 1.00 0.00 C ATOM 52 C ALA A 4 4.904 6.519 -8.281 1.00 0.00 C ATOM 53 O ALA A 4 4.899 6.175 -7.115 1.00 0.00 O ATOM 54 CB ALA A 4 2.781 5.662 -9.275 1.00 0.00 C ATOM 0 H ALA A 4 4.412 3.750 -8.375 1.00 0.00 H new ATOM 0 HA ALA A 4 4.619 6.006 -10.352 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.426 6.685 -9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.353 5.029 -10.052 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.474 5.293 -8.296 1.00 0.00 H new ATOM 60 N HIS A 5 5.423 7.657 -8.652 1.00 0.00 N ATOM 61 CA HIS A 5 6.031 8.575 -7.649 1.00 0.00 C ATOM 62 C HIS A 5 4.946 9.423 -6.994 1.00 0.00 C ATOM 63 O HIS A 5 4.069 9.948 -7.652 1.00 0.00 O ATOM 64 CB HIS A 5 7.043 9.478 -8.350 1.00 0.00 C ATOM 65 CG HIS A 5 8.204 8.646 -8.826 1.00 0.00 C ATOM 66 ND1 HIS A 5 9.203 9.169 -9.629 1.00 0.00 N ATOM 67 CD2 HIS A 5 8.537 7.324 -8.626 1.00 0.00 C ATOM 68 CE1 HIS A 5 10.082 8.181 -9.878 1.00 0.00 C ATOM 69 NE2 HIS A 5 9.722 7.037 -9.292 1.00 0.00 N ATOM 0 H HIS A 5 5.452 7.992 -9.615 1.00 0.00 H new ATOM 0 HA HIS A 5 6.533 7.992 -6.877 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.573 9.984 -9.193 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.391 10.253 -7.667 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.965 6.619 -8.041 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.971 8.299 -10.479 1.00 0.00 H new ATOM 0 HE2 HIS A 5 10.212 6.143 -9.326 1.00 0.00 H new ATOM 77 N TYR A 6 4.996 9.559 -5.695 1.00 0.00 N ATOM 78 CA TYR A 6 3.969 10.371 -4.982 1.00 0.00 C ATOM 79 C TYR A 6 4.628 11.108 -3.810 1.00 0.00 C ATOM 80 O TYR A 6 5.154 10.505 -2.895 1.00 0.00 O ATOM 81 CB TYR A 6 2.864 9.446 -4.468 1.00 0.00 C ATOM 82 CG TYR A 6 1.803 10.270 -3.783 1.00 0.00 C ATOM 83 CD1 TYR A 6 0.986 11.117 -4.540 1.00 0.00 C ATOM 84 CD2 TYR A 6 1.634 10.190 -2.395 1.00 0.00 C ATOM 85 CE1 TYR A 6 0.001 11.885 -3.910 1.00 0.00 C ATOM 86 CE2 TYR A 6 0.648 10.956 -1.765 1.00 0.00 C ATOM 87 CZ TYR A 6 -0.168 11.805 -2.523 1.00 0.00 C ATOM 88 OH TYR A 6 -1.138 12.563 -1.901 1.00 0.00 O ATOM 0 H TYR A 6 5.707 9.140 -5.096 1.00 0.00 H new ATOM 0 HA TYR A 6 3.535 11.103 -5.663 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.428 8.886 -5.296 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.279 8.716 -3.773 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.116 11.178 -5.610 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.265 9.537 -1.811 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.629 12.540 -4.494 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.516 10.893 -0.695 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.122 12.388 -0.937 1.00 0.00 H new ATOM 98 N ARG A 7 4.606 12.415 -3.845 1.00 0.00 N ATOM 99 CA ARG A 7 5.229 13.217 -2.755 1.00 0.00 C ATOM 100 C ARG A 7 6.683 12.781 -2.558 1.00 0.00 C ATOM 101 O ARG A 7 7.231 12.883 -1.477 1.00 0.00 O ATOM 102 CB ARG A 7 4.438 13.033 -1.458 1.00 0.00 C ATOM 103 CG ARG A 7 3.021 13.580 -1.661 1.00 0.00 C ATOM 104 CD ARG A 7 2.195 13.381 -0.389 1.00 0.00 C ATOM 105 NE ARG A 7 2.744 14.235 0.705 1.00 0.00 N ATOM 106 CZ ARG A 7 2.346 15.474 0.842 1.00 0.00 C ATOM 107 NH1 ARG A 7 1.476 15.984 0.009 1.00 0.00 N ATOM 108 NH2 ARG A 7 2.820 16.206 1.814 1.00 0.00 N ATOM 0 H ARG A 7 4.178 12.964 -4.590 1.00 0.00 H new ATOM 0 HA ARG A 7 5.212 14.272 -3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.400 11.978 -1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.931 13.556 -0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.064 14.639 -1.914 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.543 13.072 -2.498 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.153 13.639 -0.577 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.216 12.333 -0.091 1.00 0.00 H new ATOM 0 HE ARG A 7 3.434 13.850 1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.104 15.415 -0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.169 16.950 0.120 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.499 15.812 2.465 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.511 17.172 1.922 1.00 0.00 H new ATOM 122 N GLY A 8 7.314 12.311 -3.605 1.00 0.00 N ATOM 123 CA GLY A 8 8.742 11.884 -3.503 1.00 0.00 C ATOM 124 C GLY A 8 8.825 10.404 -3.127 1.00 0.00 C ATOM 125 O GLY A 8 9.896 9.834 -3.068 1.00 0.00 O ATOM 0 H GLY A 8 6.899 12.204 -4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.249 12.054 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.257 12.486 -2.754 1.00 0.00 H new ATOM 129 N TYR A 9 7.704 9.780 -2.868 1.00 0.00 N ATOM 130 CA TYR A 9 7.708 8.333 -2.484 1.00 0.00 C ATOM 131 C TYR A 9 7.206 7.482 -3.652 1.00 0.00 C ATOM 132 O TYR A 9 6.212 7.790 -4.279 1.00 0.00 O ATOM 133 CB TYR A 9 6.788 8.139 -1.277 1.00 0.00 C ATOM 134 CG TYR A 9 7.379 8.856 -0.086 1.00 0.00 C ATOM 135 CD1 TYR A 9 7.101 10.212 0.124 1.00 0.00 C ATOM 136 CD2 TYR A 9 8.209 8.165 0.803 1.00 0.00 C ATOM 137 CE1 TYR A 9 7.655 10.877 1.226 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.762 8.829 1.905 1.00 0.00 C ATOM 139 CZ TYR A 9 8.485 10.185 2.115 1.00 0.00 C ATOM 140 OH TYR A 9 9.030 10.839 3.200 1.00 0.00 O ATOM 0 H TYR A 9 6.781 10.212 -2.906 1.00 0.00 H new ATOM 0 HA TYR A 9 8.723 8.024 -2.232 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.794 8.529 -1.495 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.673 7.077 -1.058 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.460 10.745 -0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.423 7.119 0.639 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.442 11.923 1.389 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.402 8.295 2.592 1.00 0.00 H new ATOM 0 HH TYR A 9 9.580 10.214 3.716 1.00 0.00 H new ATOM 150 N GLU A 10 7.888 6.402 -3.943 1.00 0.00 N ATOM 151 CA GLU A 10 7.462 5.511 -5.062 1.00 0.00 C ATOM 152 C GLU A 10 6.584 4.396 -4.505 1.00 0.00 C ATOM 153 O GLU A 10 6.789 3.924 -3.400 1.00 0.00 O ATOM 154 CB GLU A 10 8.696 4.913 -5.734 1.00 0.00 C ATOM 155 CG GLU A 10 9.640 4.367 -4.667 1.00 0.00 C ATOM 156 CD GLU A 10 10.738 3.538 -5.334 1.00 0.00 C ATOM 157 OE1 GLU A 10 10.633 3.301 -6.526 1.00 0.00 O ATOM 158 OE2 GLU A 10 11.668 3.157 -4.644 1.00 0.00 O ATOM 0 H GLU A 10 8.727 6.099 -3.449 1.00 0.00 H new ATOM 0 HA GLU A 10 6.898 6.084 -5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.401 4.116 -6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.203 5.672 -6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.082 5.188 -4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.087 3.753 -3.956 1.00 0.00 H new ATOM 165 N ILE A 11 5.595 3.985 -5.261 1.00 0.00 N ATOM 166 CA ILE A 11 4.662 2.910 -4.796 1.00 0.00 C ATOM 167 C ILE A 11 4.719 1.729 -5.761 1.00 0.00 C ATOM 168 O ILE A 11 4.721 1.898 -6.966 1.00 0.00 O ATOM 169 CB ILE A 11 3.237 3.461 -4.767 1.00 0.00 C ATOM 170 CG1 ILE A 11 3.182 4.666 -3.827 1.00 0.00 C ATOM 171 CG2 ILE A 11 2.288 2.377 -4.253 1.00 0.00 C ATOM 172 CD1 ILE A 11 1.849 5.395 -4.003 1.00 0.00 C ATOM 0 H ILE A 11 5.392 4.352 -6.191 1.00 0.00 H new ATOM 0 HA ILE A 11 4.956 2.581 -3.799 1.00 0.00 H new ATOM 0 HB ILE A 11 2.939 3.764 -5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.295 4.339 -2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.009 5.343 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.270 2.766 -4.231 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.332 1.512 -4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.585 2.080 -3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.812 6.253 -3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.754 5.736 -5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.029 4.716 -3.769 1.00 0.00 H new ATOM 184 N GLU A 12 4.763 0.532 -5.231 1.00 0.00 N ATOM 185 CA GLU A 12 4.814 -0.693 -6.088 1.00 0.00 C ATOM 186 C GLU A 12 3.613 -1.587 -5.761 1.00 0.00 C ATOM 187 O GLU A 12 3.709 -2.489 -4.949 1.00 0.00 O ATOM 188 CB GLU A 12 6.103 -1.462 -5.793 1.00 0.00 C ATOM 189 CG GLU A 12 6.310 -2.541 -6.861 1.00 0.00 C ATOM 190 CD GLU A 12 7.342 -3.557 -6.368 1.00 0.00 C ATOM 191 OE1 GLU A 12 8.206 -3.168 -5.599 1.00 0.00 O ATOM 192 OE2 GLU A 12 7.250 -4.705 -6.769 1.00 0.00 O ATOM 0 H GLU A 12 4.766 0.349 -4.228 1.00 0.00 H new ATOM 0 HA GLU A 12 4.787 -0.406 -7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.952 -0.779 -5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.048 -1.919 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.366 -3.041 -7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.648 -2.086 -7.792 1.00 0.00 H new ATOM 199 N PRO A 13 2.485 -1.340 -6.383 1.00 0.00 N ATOM 200 CA PRO A 13 1.243 -2.140 -6.158 1.00 0.00 C ATOM 201 C PRO A 13 1.418 -3.616 -6.536 1.00 0.00 C ATOM 202 O PRO A 13 2.187 -3.962 -7.410 1.00 0.00 O ATOM 203 CB PRO A 13 0.193 -1.461 -7.062 1.00 0.00 C ATOM 204 CG PRO A 13 0.738 -0.098 -7.331 1.00 0.00 C ATOM 205 CD PRO A 13 2.253 -0.265 -7.363 1.00 0.00 C ATOM 0 HA PRO A 13 0.960 -2.154 -5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.050 -2.018 -7.988 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.777 -1.408 -6.568 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.366 0.294 -8.278 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.437 0.605 -6.555 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.608 -0.540 -8.356 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.767 0.655 -7.084 1.00 0.00 H new ATOM 213 N GLY A 14 0.701 -4.477 -5.873 1.00 0.00 N ATOM 214 CA GLY A 14 0.799 -5.937 -6.169 1.00 0.00 C ATOM 215 C GLY A 14 -0.252 -6.702 -5.355 1.00 0.00 C ATOM 216 O GLY A 14 -0.464 -7.879 -5.560 1.00 0.00 O ATOM 0 H GLY A 14 0.045 -4.232 -5.132 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.647 -6.113 -7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.797 -6.301 -5.925 1.00 0.00 H new ATOM 220 N HIS A 15 -0.908 -6.030 -4.434 1.00 0.00 N ATOM 221 CA HIS A 15 -1.955 -6.679 -3.591 1.00 0.00 C ATOM 222 C HIS A 15 -1.378 -7.891 -2.855 1.00 0.00 C ATOM 223 O HIS A 15 -0.444 -8.522 -3.305 1.00 0.00 O ATOM 224 CB HIS A 15 -3.148 -7.110 -4.470 1.00 0.00 C ATOM 225 CG HIS A 15 -2.914 -8.482 -5.058 1.00 0.00 C ATOM 226 ND1 HIS A 15 -2.604 -8.674 -6.395 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.915 -9.730 -4.488 1.00 0.00 C ATOM 228 CE1 HIS A 15 -2.434 -9.998 -6.583 1.00 0.00 C ATOM 229 NE2 HIS A 15 -2.611 -10.685 -5.453 1.00 0.00 N ATOM 0 H HIS A 15 -0.755 -5.042 -4.232 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.301 -5.958 -2.850 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.061 -7.116 -3.874 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.295 -6.386 -5.272 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.120 -9.939 -3.449 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.185 -10.448 -7.533 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.539 -11.694 -5.324 1.00 0.00 H new ATOM 237 N GLN A 16 -1.948 -8.226 -1.731 1.00 0.00 N ATOM 238 CA GLN A 16 -1.458 -9.408 -0.976 1.00 0.00 C ATOM 239 C GLN A 16 -2.450 -9.734 0.139 1.00 0.00 C ATOM 240 O GLN A 16 -3.158 -8.874 0.627 1.00 0.00 O ATOM 241 CB GLN A 16 -0.080 -9.114 -0.378 1.00 0.00 C ATOM 242 CG GLN A 16 0.549 -10.417 0.127 1.00 0.00 C ATOM 243 CD GLN A 16 0.870 -11.323 -1.065 1.00 0.00 C ATOM 244 OE1 GLN A 16 1.392 -10.868 -2.063 1.00 0.00 O ATOM 245 NE2 GLN A 16 0.569 -12.592 -1.008 1.00 0.00 N ATOM 0 H GLN A 16 -2.731 -7.731 -1.304 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.371 -10.260 -1.650 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.563 -8.655 -1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.172 -8.401 0.442 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.458 -10.201 0.689 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.134 -10.923 0.809 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.131 -12.975 -0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.772 -13.200 -1.801 1.00 0.00 H new ATOM 254 N TYR A 17 -2.505 -10.974 0.543 1.00 0.00 N ATOM 255 CA TYR A 17 -3.450 -11.379 1.624 1.00 0.00 C ATOM 256 C TYR A 17 -2.707 -11.457 2.951 1.00 0.00 C ATOM 257 O TYR A 17 -1.600 -11.952 3.030 1.00 0.00 O ATOM 258 CB TYR A 17 -4.045 -12.747 1.281 1.00 0.00 C ATOM 259 CG TYR A 17 -2.960 -13.800 1.297 1.00 0.00 C ATOM 260 CD1 TYR A 17 -2.236 -14.083 0.130 1.00 0.00 C ATOM 261 CD2 TYR A 17 -2.685 -14.502 2.477 1.00 0.00 C ATOM 262 CE1 TYR A 17 -1.238 -15.066 0.147 1.00 0.00 C ATOM 263 CE2 TYR A 17 -1.688 -15.486 2.491 1.00 0.00 C ATOM 264 CZ TYR A 17 -0.965 -15.767 1.327 1.00 0.00 C ATOM 265 OH TYR A 17 0.015 -16.739 1.343 1.00 0.00 O ATOM 0 H TYR A 17 -1.932 -11.730 0.168 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.250 -10.644 1.708 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.824 -13.004 1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.516 -12.712 0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.448 -13.544 -0.781 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.242 -14.285 3.377 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.679 -15.283 -0.751 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.477 -16.028 3.401 1.00 0.00 H new ATOM 0 HH TYR A 17 0.077 -17.127 2.241 1.00 0.00 H new ATOM 275 N ARG A 18 -3.311 -10.963 3.997 1.00 0.00 N ATOM 276 CA ARG A 18 -2.652 -10.990 5.336 1.00 0.00 C ATOM 277 C ARG A 18 -3.061 -12.259 6.083 1.00 0.00 C ATOM 278 O ARG A 18 -4.213 -12.646 6.093 1.00 0.00 O ATOM 279 CB ARG A 18 -3.080 -9.758 6.137 1.00 0.00 C ATOM 280 CG ARG A 18 -2.501 -8.499 5.484 1.00 0.00 C ATOM 281 CD ARG A 18 -3.010 -7.256 6.221 1.00 0.00 C ATOM 282 NE ARG A 18 -2.534 -7.282 7.635 1.00 0.00 N ATOM 283 CZ ARG A 18 -1.369 -6.779 7.955 1.00 0.00 C ATOM 284 NH1 ARG A 18 -0.604 -6.245 7.040 1.00 0.00 N ATOM 285 NH2 ARG A 18 -0.970 -6.807 9.198 1.00 0.00 N ATOM 0 H ARG A 18 -4.239 -10.539 3.982 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.569 -10.982 5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.168 -9.694 6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.731 -9.841 7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.412 -8.530 5.513 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.791 -8.456 4.434 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.653 -6.354 5.723 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.099 -7.225 6.194 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.122 -7.696 8.359 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.914 -6.218 6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.303 -5.855 7.297 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.566 -7.220 9.916 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.063 -6.416 9.451 1.00 0.00 H new ATOM 299 N ASP A 19 -2.116 -12.912 6.705 1.00 0.00 N ATOM 300 CA ASP A 19 -2.431 -14.162 7.451 1.00 0.00 C ATOM 301 C ASP A 19 -3.258 -13.822 8.690 1.00 0.00 C ATOM 302 O ASP A 19 -3.924 -14.666 9.257 1.00 0.00 O ATOM 303 CB ASP A 19 -1.121 -14.827 7.885 1.00 0.00 C ATOM 304 CG ASP A 19 -0.397 -15.386 6.660 1.00 0.00 C ATOM 305 OD1 ASP A 19 -1.028 -15.491 5.625 1.00 0.00 O ATOM 306 OD2 ASP A 19 0.777 -15.697 6.780 1.00 0.00 O ATOM 0 H ASP A 19 -1.136 -12.631 6.728 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.997 -14.839 6.811 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.486 -14.103 8.396 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.326 -15.628 8.595 1.00 0.00 H new ATOM 311 N ASP A 20 -3.212 -12.588 9.118 1.00 0.00 N ATOM 312 CA ASP A 20 -3.984 -12.180 10.325 1.00 0.00 C ATOM 313 C ASP A 20 -5.481 -12.354 10.068 1.00 0.00 C ATOM 314 O ASP A 20 -6.207 -12.862 10.898 1.00 0.00 O ATOM 315 CB ASP A 20 -3.691 -10.713 10.634 1.00 0.00 C ATOM 316 CG ASP A 20 -2.268 -10.579 11.176 1.00 0.00 C ATOM 317 OD1 ASP A 20 -1.656 -11.602 11.435 1.00 0.00 O ATOM 318 OD2 ASP A 20 -1.812 -9.457 11.323 1.00 0.00 O ATOM 0 H ASP A 20 -2.670 -11.843 8.680 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.691 -12.803 11.170 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.806 -10.111 9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.406 -10.334 11.364 1.00 0.00 H new ATOM 323 N ILE A 21 -5.942 -11.931 8.919 1.00 0.00 N ATOM 324 CA ILE A 21 -7.391 -12.058 8.574 1.00 0.00 C ATOM 325 C ILE A 21 -7.559 -13.112 7.483 1.00 0.00 C ATOM 326 O ILE A 21 -8.651 -13.353 7.004 1.00 0.00 O ATOM 327 CB ILE A 21 -7.911 -10.702 8.082 1.00 0.00 C ATOM 328 CG1 ILE A 21 -6.932 -10.110 7.066 1.00 0.00 C ATOM 329 CG2 ILE A 21 -8.038 -9.747 9.271 1.00 0.00 C ATOM 330 CD1 ILE A 21 -7.550 -8.863 6.428 1.00 0.00 C ATOM 0 H ILE A 21 -5.369 -11.497 8.195 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.959 -12.362 9.453 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.884 -10.840 7.611 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.993 -9.853 7.557 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.699 -10.847 6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.408 -8.782 8.925 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.735 -10.163 9.999 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.062 -9.615 9.738 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.853 -8.441 5.704 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.477 -9.134 5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.761 -8.125 7.202 1.00 0.00 H new ATOM 342 N ARG A 22 -6.478 -13.744 7.086 1.00 0.00 N ATOM 343 CA ARG A 22 -6.554 -14.788 6.021 1.00 0.00 C ATOM 344 C ARG A 22 -7.461 -14.298 4.892 1.00 0.00 C ATOM 345 O ARG A 22 -8.286 -15.033 4.386 1.00 0.00 O ATOM 346 CB ARG A 22 -7.127 -16.083 6.610 1.00 0.00 C ATOM 347 CG ARG A 22 -6.106 -16.707 7.568 1.00 0.00 C ATOM 348 CD ARG A 22 -6.680 -17.989 8.182 1.00 0.00 C ATOM 349 NE ARG A 22 -5.671 -18.585 9.103 1.00 0.00 N ATOM 350 CZ ARG A 22 -5.809 -19.815 9.523 1.00 0.00 C ATOM 351 NH1 ARG A 22 -6.833 -20.527 9.140 1.00 0.00 N ATOM 352 NH2 ARG A 22 -4.918 -20.333 10.327 1.00 0.00 N ATOM 0 H ARG A 22 -5.543 -13.578 7.458 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.555 -14.979 5.630 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.057 -15.874 7.139 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.366 -16.784 5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.183 -16.931 7.033 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.853 -15.998 8.356 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.599 -17.767 8.724 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.937 -18.699 7.396 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.870 -18.031 9.407 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.528 -20.124 8.511 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.939 -21.487 9.469 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.116 -19.777 10.626 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.024 -21.293 10.656 1.00 0.00 H new ATOM 366 N LYS A 23 -7.325 -13.052 4.503 1.00 0.00 N ATOM 367 CA LYS A 23 -8.194 -12.502 3.418 1.00 0.00 C ATOM 368 C LYS A 23 -7.361 -11.612 2.489 1.00 0.00 C ATOM 369 O LYS A 23 -6.258 -11.207 2.813 1.00 0.00 O ATOM 370 CB LYS A 23 -9.331 -11.679 4.058 1.00 0.00 C ATOM 371 CG LYS A 23 -10.565 -11.668 3.139 1.00 0.00 C ATOM 372 CD LYS A 23 -11.420 -12.917 3.393 1.00 0.00 C ATOM 373 CE LYS A 23 -12.535 -12.992 2.349 1.00 0.00 C ATOM 374 NZ LYS A 23 -13.414 -11.798 2.484 1.00 0.00 N ATOM 0 H LYS A 23 -6.649 -12.394 4.891 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.618 -13.318 2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.595 -12.103 5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.994 -10.658 4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.156 -10.770 3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.251 -11.638 2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.800 -13.812 3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.847 -12.881 4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.109 -13.033 1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.117 -13.904 2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.301 -11.960 1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.625 -11.634 3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.931 -10.965 2.091 1.00 0.00 H new ATOM 388 N TYR A 24 -7.890 -11.314 1.332 1.00 0.00 N ATOM 389 CA TYR A 24 -7.156 -10.463 0.358 1.00 0.00 C ATOM 390 C TYR A 24 -7.402 -8.992 0.671 1.00 0.00 C ATOM 391 O TYR A 24 -8.528 -8.558 0.819 1.00 0.00 O ATOM 392 CB TYR A 24 -7.667 -10.768 -1.052 1.00 0.00 C ATOM 393 CG TYR A 24 -7.128 -12.103 -1.500 1.00 0.00 C ATOM 394 CD1 TYR A 24 -7.786 -13.284 -1.139 1.00 0.00 C ATOM 395 CD2 TYR A 24 -5.964 -12.156 -2.271 1.00 0.00 C ATOM 396 CE1 TYR A 24 -7.277 -14.520 -1.553 1.00 0.00 C ATOM 397 CE2 TYR A 24 -5.454 -13.390 -2.685 1.00 0.00 C ATOM 398 CZ TYR A 24 -6.109 -14.572 -2.326 1.00 0.00 C ATOM 399 OH TYR A 24 -5.606 -15.789 -2.734 1.00 0.00 O ATOM 0 H TYR A 24 -8.809 -11.628 1.020 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.088 -10.672 0.424 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.757 -10.781 -1.061 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.352 -9.986 -1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.685 -13.242 -0.542 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.458 -11.243 -2.547 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.784 -15.433 -1.277 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.555 -13.430 -3.282 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.793 -15.646 -3.262 1.00 0.00 H new ATOM 409 N VAL A 25 -6.355 -8.213 0.758 1.00 0.00 N ATOM 410 CA VAL A 25 -6.524 -6.760 1.051 1.00 0.00 C ATOM 411 C VAL A 25 -5.374 -5.980 0.394 1.00 0.00 C ATOM 412 O VAL A 25 -4.308 -6.519 0.166 1.00 0.00 O ATOM 413 CB VAL A 25 -6.506 -6.536 2.575 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.908 -6.748 3.154 1.00 0.00 C ATOM 415 CG2 VAL A 25 -5.539 -7.527 3.226 1.00 0.00 C ATOM 0 H VAL A 25 -5.390 -8.521 0.639 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.476 -6.410 0.652 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.183 -5.515 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.885 -6.587 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.601 -6.042 2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.237 -7.766 2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.527 -7.368 4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.864 -8.545 3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.537 -7.374 2.825 1.00 0.00 H new ATOM 425 N PRO A 26 -5.580 -4.717 0.101 1.00 0.00 N ATOM 426 CA PRO A 26 -4.530 -3.866 -0.524 1.00 0.00 C ATOM 427 C PRO A 26 -3.148 -4.069 0.111 1.00 0.00 C ATOM 428 O PRO A 26 -3.008 -4.127 1.316 1.00 0.00 O ATOM 429 CB PRO A 26 -5.025 -2.434 -0.265 1.00 0.00 C ATOM 430 CG PRO A 26 -6.516 -2.535 -0.126 1.00 0.00 C ATOM 431 CD PRO A 26 -6.836 -3.970 0.316 1.00 0.00 C ATOM 0 HA PRO A 26 -4.397 -4.106 -1.579 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.575 -2.022 0.638 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.753 -1.772 -1.087 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.883 -1.816 0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.007 -2.306 -1.072 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.143 -4.003 1.361 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.653 -4.392 -0.269 1.00 0.00 H new ATOM 439 N TYR A 27 -2.131 -4.173 -0.701 1.00 0.00 N ATOM 440 CA TYR A 27 -0.751 -4.367 -0.172 1.00 0.00 C ATOM 441 C TYR A 27 0.249 -3.813 -1.182 1.00 0.00 C ATOM 442 O TYR A 27 0.373 -4.315 -2.282 1.00 0.00 O ATOM 443 CB TYR A 27 -0.488 -5.859 0.037 1.00 0.00 C ATOM 444 CG TYR A 27 0.932 -6.065 0.509 1.00 0.00 C ATOM 445 CD1 TYR A 27 1.968 -6.170 -0.425 1.00 0.00 C ATOM 446 CD2 TYR A 27 1.210 -6.150 1.878 1.00 0.00 C ATOM 447 CE1 TYR A 27 3.285 -6.362 0.008 1.00 0.00 C ATOM 448 CE2 TYR A 27 2.528 -6.342 2.311 1.00 0.00 C ATOM 449 CZ TYR A 27 3.565 -6.449 1.376 1.00 0.00 C ATOM 450 OH TYR A 27 4.863 -6.638 1.803 1.00 0.00 O ATOM 0 H TYR A 27 -2.198 -4.131 -1.718 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.645 -3.846 0.779 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.187 -6.262 0.770 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.654 -6.401 -0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.751 -6.103 -1.481 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.410 -6.068 2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.085 -6.443 -0.713 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.745 -6.408 3.367 1.00 0.00 H new ATOM 0 HH TYR A 27 5.359 -7.147 1.128 1.00 0.00 H new ATOM 460 N ALA A 28 0.961 -2.774 -0.822 1.00 0.00 N ATOM 461 CA ALA A 28 1.955 -2.176 -1.770 1.00 0.00 C ATOM 462 C ALA A 28 3.242 -1.838 -1.021 1.00 0.00 C ATOM 463 O ALA A 28 3.233 -1.574 0.165 1.00 0.00 O ATOM 464 CB ALA A 28 1.374 -0.903 -2.382 1.00 0.00 C ATOM 0 H ALA A 28 0.898 -2.314 0.086 1.00 0.00 H new ATOM 0 HA ALA A 28 2.175 -2.893 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.097 -0.468 -3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.458 -1.144 -2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.152 -0.187 -1.590 1.00 0.00 H new ATOM 470 N LEU A 29 4.353 -1.843 -1.710 1.00 0.00 N ATOM 471 CA LEU A 29 5.653 -1.524 -1.045 1.00 0.00 C ATOM 472 C LEU A 29 5.992 -0.060 -1.309 1.00 0.00 C ATOM 473 O LEU A 29 5.948 0.403 -2.432 1.00 0.00 O ATOM 474 CB LEU A 29 6.747 -2.420 -1.630 1.00 0.00 C ATOM 475 CG LEU A 29 6.331 -3.889 -1.494 1.00 0.00 C ATOM 476 CD1 LEU A 29 7.408 -4.783 -2.112 1.00 0.00 C ATOM 477 CD2 LEU A 29 6.148 -4.248 -0.010 1.00 0.00 C ATOM 0 H LEU A 29 4.417 -2.054 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 29 5.581 -1.696 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.912 -2.173 -2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.689 -2.248 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 29 5.386 -4.044 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.113 -5.828 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.526 -4.535 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.354 -4.624 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.852 -5.293 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.087 -4.091 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.375 -3.615 0.425 1.00 0.00 H new ATOM 489 N ILE A 30 6.312 0.677 -0.274 1.00 0.00 N ATOM 490 CA ILE A 30 6.639 2.130 -0.435 1.00 0.00 C ATOM 491 C ILE A 30 8.094 2.385 -0.047 1.00 0.00 C ATOM 492 O ILE A 30 8.555 1.959 0.994 1.00 0.00 O ATOM 493 CB ILE A 30 5.725 2.949 0.475 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.275 2.765 0.020 1.00 0.00 C ATOM 495 CG2 ILE A 30 6.112 4.427 0.390 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.325 3.381 1.047 1.00 0.00 C ATOM 0 H ILE A 30 6.361 0.332 0.685 1.00 0.00 H new ATOM 0 HA ILE A 30 6.491 2.420 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 30 5.829 2.612 1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.127 3.235 -0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.055 1.704 -0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.460 5.012 1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.147 4.551 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.005 4.773 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.295 3.246 0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.464 2.891 2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.538 4.445 1.147 1.00 0.00 H new ATOM 508 N ARG A 31 8.820 3.088 -0.883 1.00 0.00 N ATOM 509 CA ARG A 31 10.255 3.396 -0.581 1.00 0.00 C ATOM 510 C ARG A 31 10.515 4.881 -0.835 1.00 0.00 C ATOM 511 O ARG A 31 9.939 5.481 -1.723 1.00 0.00 O ATOM 512 CB ARG A 31 11.161 2.554 -1.482 1.00 0.00 C ATOM 513 CG ARG A 31 11.082 1.088 -1.055 1.00 0.00 C ATOM 514 CD ARG A 31 11.982 0.239 -1.956 1.00 0.00 C ATOM 515 NE ARG A 31 11.893 -1.188 -1.536 1.00 0.00 N ATOM 516 CZ ARG A 31 12.757 -2.060 -1.982 1.00 0.00 C ATOM 517 NH1 ARG A 31 13.706 -1.686 -2.797 1.00 0.00 N ATOM 518 NH2 ARG A 31 12.672 -3.309 -1.611 1.00 0.00 N ATOM 0 H ARG A 31 8.478 3.464 -1.767 1.00 0.00 H new ATOM 0 HA ARG A 31 10.468 3.161 0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.855 2.658 -2.523 1.00 0.00 H new ATOM 0 HB3 ARG A 31 12.190 2.909 -1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.391 0.985 -0.015 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.052 0.736 -1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.676 0.343 -2.997 1.00 0.00 H new ATOM 0 HD3 ARG A 31 13.013 0.586 -1.890 1.00 0.00 H new ATOM 0 HE ARG A 31 11.155 -1.485 -0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.774 -0.710 -3.087 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.379 -2.369 -3.144 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.932 -3.602 -0.974 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.346 -3.991 -1.958 1.00 0.00 H new ATOM 532 N LYS A 32 11.373 5.484 -0.057 1.00 0.00 N ATOM 533 CA LYS A 32 11.662 6.934 -0.244 1.00 0.00 C ATOM 534 C LYS A 32 12.695 7.117 -1.357 1.00 0.00 C ATOM 535 O LYS A 32 13.746 6.505 -1.356 1.00 0.00 O ATOM 536 CB LYS A 32 12.200 7.509 1.068 1.00 0.00 C ATOM 537 CG LYS A 32 12.404 9.017 0.920 1.00 0.00 C ATOM 538 CD LYS A 32 12.843 9.603 2.261 1.00 0.00 C ATOM 539 CE LYS A 32 13.033 11.113 2.118 1.00 0.00 C ATOM 540 NZ LYS A 32 13.405 11.696 3.438 1.00 0.00 N ATOM 0 H LYS A 32 11.887 5.034 0.701 1.00 0.00 H new ATOM 0 HA LYS A 32 10.748 7.458 -0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.502 7.304 1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.143 7.028 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.156 9.220 0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.479 9.490 0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.096 9.390 3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.773 9.138 2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.810 11.324 1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.115 11.572 1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.534 12.723 3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.649 11.506 4.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.292 11.266 3.770 1.00 0.00 H new ATOM 554 N VAL A 33 12.394 7.956 -2.310 1.00 0.00 N ATOM 555 CA VAL A 33 13.335 8.195 -3.441 1.00 0.00 C ATOM 556 C VAL A 33 14.510 9.053 -2.976 1.00 0.00 C ATOM 557 O VAL A 33 14.333 10.057 -2.314 1.00 0.00 O ATOM 558 CB VAL A 33 12.593 8.916 -4.566 1.00 0.00 C ATOM 559 CG1 VAL A 33 13.580 9.308 -5.670 1.00 0.00 C ATOM 560 CG2 VAL A 33 11.527 7.983 -5.140 1.00 0.00 C ATOM 0 H VAL A 33 11.527 8.492 -2.354 1.00 0.00 H new ATOM 0 HA VAL A 33 13.716 7.239 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 33 12.122 9.817 -4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.046 9.822 -6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.342 9.970 -5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.055 8.412 -6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.993 8.491 -5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.003 7.084 -5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 33 10.823 7.708 -4.354 1.00 0.00 H new ATOM 570 N GLY A 34 15.706 8.663 -3.330 1.00 0.00 N ATOM 571 CA GLY A 34 16.919 9.441 -2.935 1.00 0.00 C ATOM 572 C GLY A 34 17.782 8.594 -2.004 1.00 0.00 C ATOM 573 O GLY A 34 18.968 8.437 -2.220 1.00 0.00 O ATOM 0 H GLY A 34 15.897 7.828 -3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 34 17.488 9.723 -3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.626 10.365 -2.437 1.00 0.00 H new ATOM 577 N VAL A 35 17.200 8.047 -0.962 1.00 0.00 N ATOM 578 CA VAL A 35 17.995 7.212 -0.007 1.00 0.00 C ATOM 579 C VAL A 35 17.782 5.717 -0.306 1.00 0.00 C ATOM 580 O VAL A 35 16.738 5.330 -0.796 1.00 0.00 O ATOM 581 CB VAL A 35 17.545 7.514 1.422 1.00 0.00 C ATOM 582 CG1 VAL A 35 18.061 8.895 1.831 1.00 0.00 C ATOM 583 CG2 VAL A 35 16.016 7.498 1.500 1.00 0.00 C ATOM 0 H VAL A 35 16.211 8.143 -0.733 1.00 0.00 H new ATOM 0 HA VAL A 35 19.053 7.449 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 35 17.945 6.756 2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 35 17.743 9.115 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.150 8.906 1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 35 17.659 9.649 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.701 7.714 2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 35 15.609 8.253 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.647 6.515 1.207 1.00 0.00 H new ATOM 593 N PRO A 36 18.756 4.876 -0.004 1.00 0.00 N ATOM 594 CA PRO A 36 18.652 3.403 -0.235 1.00 0.00 C ATOM 595 C PRO A 36 17.332 2.809 0.268 1.00 0.00 C ATOM 596 O PRO A 36 16.418 3.513 0.652 1.00 0.00 O ATOM 597 CB PRO A 36 19.825 2.822 0.567 1.00 0.00 C ATOM 598 CG PRO A 36 20.845 3.908 0.597 1.00 0.00 C ATOM 599 CD PRO A 36 20.070 5.229 0.579 1.00 0.00 C ATOM 0 HA PRO A 36 18.681 3.171 -1.300 1.00 0.00 H new ATOM 0 HB2 PRO A 36 19.515 2.543 1.574 1.00 0.00 H new ATOM 0 HB3 PRO A 36 20.220 1.923 0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 36 21.465 3.834 1.490 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.513 3.838 -0.262 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.962 5.640 1.583 1.00 0.00 H new ATOM 0 HD3 PRO A 36 20.582 5.982 -0.021 1.00 0.00 H new ATOM 607 N ASP A 37 17.239 1.508 0.269 1.00 0.00 N ATOM 608 CA ASP A 37 15.992 0.826 0.746 1.00 0.00 C ATOM 609 C ASP A 37 16.177 0.370 2.199 1.00 0.00 C ATOM 610 O ASP A 37 16.905 -0.560 2.482 1.00 0.00 O ATOM 611 CB ASP A 37 15.700 -0.383 -0.152 1.00 0.00 C ATOM 612 CG ASP A 37 16.890 -1.345 -0.146 1.00 0.00 C ATOM 613 OD1 ASP A 37 17.919 -0.983 0.400 1.00 0.00 O ATOM 614 OD2 ASP A 37 16.755 -2.426 -0.696 1.00 0.00 O ATOM 0 H ASP A 37 17.978 0.878 -0.042 1.00 0.00 H new ATOM 0 HA ASP A 37 15.153 1.520 0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 37 14.805 -0.898 0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 37 15.498 -0.049 -1.170 1.00 0.00 H new ATOM 619 N ARG A 38 15.519 1.025 3.125 1.00 0.00 N ATOM 620 CA ARG A 38 15.651 0.648 4.569 1.00 0.00 C ATOM 621 C ARG A 38 14.475 -0.233 4.996 1.00 0.00 C ATOM 622 O ARG A 38 13.667 -0.638 4.185 1.00 0.00 O ATOM 623 CB ARG A 38 15.668 1.914 5.427 1.00 0.00 C ATOM 624 CG ARG A 38 16.954 2.694 5.159 1.00 0.00 C ATOM 625 CD ARG A 38 17.080 3.833 6.170 1.00 0.00 C ATOM 626 NE ARG A 38 15.944 4.783 5.996 1.00 0.00 N ATOM 627 CZ ARG A 38 16.009 5.732 5.101 1.00 0.00 C ATOM 628 NH1 ARG A 38 17.067 5.855 4.348 1.00 0.00 N ATOM 629 NH2 ARG A 38 15.011 6.562 4.962 1.00 0.00 N ATOM 0 H ARG A 38 14.893 1.809 2.942 1.00 0.00 H new ATOM 0 HA ARG A 38 16.580 0.095 4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 38 14.800 2.533 5.198 1.00 0.00 H new ATOM 0 HB3 ARG A 38 15.603 1.651 6.483 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.816 2.031 5.233 1.00 0.00 H new ATOM 0 HG3 ARG A 38 16.945 3.093 4.145 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.082 3.434 7.184 1.00 0.00 H new ATOM 0 HD3 ARG A 38 18.027 4.354 6.031 1.00 0.00 H new ATOM 0 HE ARG A 38 15.112 4.691 6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 38 17.848 5.208 4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.113 6.598 3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.184 6.468 5.551 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.058 7.304 4.264 1.00 0.00 H new ATOM 643 N THR A 39 14.388 -0.533 6.274 1.00 0.00 N ATOM 644 CA THR A 39 13.278 -1.396 6.785 1.00 0.00 C ATOM 645 C THR A 39 11.957 -1.024 6.077 1.00 0.00 C ATOM 646 O THR A 39 11.388 0.015 6.352 1.00 0.00 O ATOM 647 CB THR A 39 13.129 -1.181 8.295 1.00 0.00 C ATOM 648 OG1 THR A 39 14.379 -1.414 8.930 1.00 0.00 O ATOM 649 CG2 THR A 39 12.085 -2.152 8.848 1.00 0.00 C ATOM 0 H THR A 39 15.044 -0.213 6.987 1.00 0.00 H new ATOM 0 HA THR A 39 13.508 -2.442 6.583 1.00 0.00 H new ATOM 0 HB THR A 39 12.808 -0.157 8.488 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.286 -1.275 9.896 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.979 -1.999 9.922 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.127 -1.973 8.360 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.404 -3.177 8.657 1.00 0.00 H new ATOM 657 N PRO A 40 11.480 -1.842 5.156 1.00 0.00 N ATOM 658 CA PRO A 40 10.229 -1.543 4.397 1.00 0.00 C ATOM 659 C PRO A 40 8.959 -1.765 5.224 1.00 0.00 C ATOM 660 O PRO A 40 8.893 -2.640 6.064 1.00 0.00 O ATOM 661 CB PRO A 40 10.295 -2.503 3.200 1.00 0.00 C ATOM 662 CG PRO A 40 11.089 -3.675 3.685 1.00 0.00 C ATOM 663 CD PRO A 40 12.062 -3.138 4.743 1.00 0.00 C ATOM 0 HA PRO A 40 10.173 -0.494 4.106 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.297 -2.807 2.882 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.773 -2.031 2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.435 -4.436 4.111 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.630 -4.143 2.863 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.148 -3.822 5.587 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.064 -3.011 4.333 1.00 0.00 H new ATOM 671 N ILE A 41 7.951 -0.969 4.974 1.00 0.00 N ATOM 672 CA ILE A 41 6.663 -1.099 5.716 1.00 0.00 C ATOM 673 C ILE A 41 5.505 -1.032 4.712 1.00 0.00 C ATOM 674 O ILE A 41 5.003 0.035 4.413 1.00 0.00 O ATOM 675 CB ILE A 41 6.530 0.054 6.722 1.00 0.00 C ATOM 676 CG1 ILE A 41 7.621 -0.064 7.818 1.00 0.00 C ATOM 677 CG2 ILE A 41 5.136 -0.002 7.365 1.00 0.00 C ATOM 678 CD1 ILE A 41 8.863 0.745 7.423 1.00 0.00 C ATOM 0 H ILE A 41 7.967 -0.224 4.277 1.00 0.00 H new ATOM 0 HA ILE A 41 6.640 -2.048 6.251 1.00 0.00 H new ATOM 0 HB ILE A 41 6.659 1.004 6.204 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.231 0.297 8.769 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.891 -1.110 7.961 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.033 0.813 8.081 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.374 0.096 6.591 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.011 -0.955 7.879 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.620 0.653 8.202 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.261 0.364 6.483 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.591 1.794 7.304 1.00 0.00 H new ATOM 690 N PRO A 42 5.079 -2.157 4.197 1.00 0.00 N ATOM 691 CA PRO A 42 3.960 -2.210 3.212 1.00 0.00 C ATOM 692 C PRO A 42 2.699 -1.524 3.744 1.00 0.00 C ATOM 693 O PRO A 42 2.403 -1.574 4.922 1.00 0.00 O ATOM 694 CB PRO A 42 3.718 -3.717 3.010 1.00 0.00 C ATOM 695 CG PRO A 42 5.005 -4.375 3.398 1.00 0.00 C ATOM 696 CD PRO A 42 5.619 -3.496 4.485 1.00 0.00 C ATOM 0 HA PRO A 42 4.203 -1.687 2.287 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.893 -4.070 3.629 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.458 -3.939 1.975 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.830 -5.386 3.767 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.673 -4.459 2.541 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.337 -3.836 5.482 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.708 -3.507 4.441 1.00 0.00 H new ATOM 704 N THR A 43 1.959 -0.882 2.879 1.00 0.00 N ATOM 705 CA THR A 43 0.716 -0.183 3.316 1.00 0.00 C ATOM 706 C THR A 43 -0.491 -1.059 2.998 1.00 0.00 C ATOM 707 O THR A 43 -0.588 -1.647 1.933 1.00 0.00 O ATOM 708 CB THR A 43 0.589 1.154 2.577 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.664 1.747 2.884 1.00 0.00 O ATOM 710 CG2 THR A 43 0.693 0.928 1.066 1.00 0.00 C ATOM 0 H THR A 43 2.164 -0.812 1.882 1.00 0.00 H new ATOM 0 HA THR A 43 0.761 0.003 4.389 1.00 0.00 H new ATOM 0 HB THR A 43 1.394 1.817 2.894 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.039 2.156 2.076 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.602 1.883 0.548 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.658 0.478 0.831 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.106 0.262 0.742 1.00 0.00 H new ATOM 718 N THR A 44 -1.407 -1.159 3.924 1.00 0.00 N ATOM 719 CA THR A 44 -2.624 -1.994 3.713 1.00 0.00 C ATOM 720 C THR A 44 -3.845 -1.233 4.214 1.00 0.00 C ATOM 721 O THR A 44 -3.741 -0.347 5.039 1.00 0.00 O ATOM 722 CB THR A 44 -2.486 -3.300 4.500 1.00 0.00 C ATOM 723 OG1 THR A 44 -2.437 -3.008 5.892 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.203 -4.018 4.082 1.00 0.00 C ATOM 0 H THR A 44 -1.362 -0.691 4.829 1.00 0.00 H new ATOM 0 HA THR A 44 -2.737 -2.217 2.652 1.00 0.00 H new ATOM 0 HB THR A 44 -3.342 -3.942 4.292 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.350 -3.843 6.398 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.107 -4.947 4.643 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.241 -4.241 3.016 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.345 -3.379 4.288 1.00 0.00 H new ATOM 732 N TYR A 45 -5.005 -1.578 3.724 1.00 0.00 N ATOM 733 CA TYR A 45 -6.252 -0.890 4.168 1.00 0.00 C ATOM 734 C TYR A 45 -7.360 -1.948 4.333 1.00 0.00 C ATOM 735 O TYR A 45 -7.938 -2.386 3.357 1.00 0.00 O ATOM 736 CB TYR A 45 -6.657 0.149 3.099 1.00 0.00 C ATOM 737 CG TYR A 45 -7.258 1.364 3.774 1.00 0.00 C ATOM 738 CD1 TYR A 45 -6.438 2.219 4.514 1.00 0.00 C ATOM 739 CD2 TYR A 45 -8.625 1.624 3.667 1.00 0.00 C ATOM 740 CE1 TYR A 45 -6.986 3.338 5.150 1.00 0.00 C ATOM 741 CE2 TYR A 45 -9.177 2.743 4.299 1.00 0.00 C ATOM 742 CZ TYR A 45 -8.356 3.601 5.041 1.00 0.00 C ATOM 743 OH TYR A 45 -8.898 4.703 5.669 1.00 0.00 O ATOM 0 H TYR A 45 -5.143 -2.312 3.030 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.096 -0.379 5.118 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.786 0.440 2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.376 -0.288 2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.380 2.016 4.595 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.257 0.961 3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.353 3.998 5.724 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.235 2.945 4.215 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.861 4.740 5.492 1.00 0.00 H new ATOM 753 N PRO A 46 -7.656 -2.367 5.547 1.00 0.00 N ATOM 754 CA PRO A 46 -8.707 -3.397 5.789 1.00 0.00 C ATOM 755 C PRO A 46 -10.027 -3.066 5.080 1.00 0.00 C ATOM 756 O PRO A 46 -10.759 -2.184 5.485 1.00 0.00 O ATOM 757 CB PRO A 46 -8.889 -3.392 7.318 1.00 0.00 C ATOM 758 CG PRO A 46 -7.598 -2.869 7.867 1.00 0.00 C ATOM 759 CD PRO A 46 -7.029 -1.920 6.809 1.00 0.00 C ATOM 0 HA PRO A 46 -8.414 -4.370 5.395 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.727 -2.760 7.612 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.099 -4.394 7.693 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.761 -2.346 8.810 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.904 -3.685 8.070 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.276 -0.882 7.031 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.942 -1.985 6.759 1.00 0.00 H new ATOM 767 N GLU A 47 -10.333 -3.786 4.034 1.00 0.00 N ATOM 768 CA GLU A 47 -11.603 -3.552 3.285 1.00 0.00 C ATOM 769 C GLU A 47 -12.053 -4.871 2.659 1.00 0.00 C ATOM 770 O GLU A 47 -13.172 -5.014 2.207 1.00 0.00 O ATOM 771 CB GLU A 47 -11.379 -2.505 2.188 1.00 0.00 C ATOM 772 CG GLU A 47 -11.295 -1.111 2.815 1.00 0.00 C ATOM 773 CD GLU A 47 -11.160 -0.053 1.717 1.00 0.00 C ATOM 774 OE1 GLU A 47 -10.291 -0.205 0.876 1.00 0.00 O ATOM 775 OE2 GLU A 47 -11.930 0.893 1.739 1.00 0.00 O ATOM 0 H GLU A 47 -9.750 -4.536 3.662 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.370 -3.184 3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.461 -2.725 1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.194 -2.541 1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.186 -0.917 3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.441 -1.057 3.491 1.00 0.00 H new ATOM 782 N PHE A 48 -11.175 -5.836 2.648 1.00 0.00 N ATOM 783 CA PHE A 48 -11.508 -7.171 2.075 1.00 0.00 C ATOM 784 C PHE A 48 -12.021 -7.015 0.642 1.00 0.00 C ATOM 785 O PHE A 48 -13.121 -6.549 0.413 1.00 0.00 O ATOM 786 CB PHE A 48 -12.577 -7.847 2.943 1.00 0.00 C ATOM 787 CG PHE A 48 -12.348 -7.496 4.398 1.00 0.00 C ATOM 788 CD1 PHE A 48 -11.063 -7.587 4.950 1.00 0.00 C ATOM 789 CD2 PHE A 48 -13.422 -7.078 5.195 1.00 0.00 C ATOM 790 CE1 PHE A 48 -10.854 -7.258 6.294 1.00 0.00 C ATOM 791 CE2 PHE A 48 -13.212 -6.750 6.540 1.00 0.00 C ATOM 792 CZ PHE A 48 -11.928 -6.840 7.088 1.00 0.00 C ATOM 0 H PHE A 48 -10.228 -5.755 3.017 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.610 -7.789 2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.570 -7.523 2.632 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -12.538 -8.928 2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.234 -7.911 4.338 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -14.413 -7.009 4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.863 -7.327 6.719 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -14.040 -6.428 7.154 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.765 -6.587 8.125 1.00 0.00 H new ATOM 802 N TYR A 49 -11.228 -7.412 -0.325 1.00 0.00 N ATOM 803 CA TYR A 49 -11.650 -7.305 -1.757 1.00 0.00 C ATOM 804 C TYR A 49 -11.389 -8.636 -2.465 1.00 0.00 C ATOM 805 O TYR A 49 -10.325 -9.217 -2.356 1.00 0.00 O ATOM 806 CB TYR A 49 -10.847 -6.191 -2.445 1.00 0.00 C ATOM 807 CG TYR A 49 -11.494 -4.854 -2.167 1.00 0.00 C ATOM 808 CD1 TYR A 49 -12.740 -4.559 -2.733 1.00 0.00 C ATOM 809 CD2 TYR A 49 -10.858 -3.915 -1.347 1.00 0.00 C ATOM 810 CE1 TYR A 49 -13.351 -3.327 -2.480 1.00 0.00 C ATOM 811 CE2 TYR A 49 -11.471 -2.683 -1.094 1.00 0.00 C ATOM 812 CZ TYR A 49 -12.716 -2.389 -1.660 1.00 0.00 C ATOM 813 OH TYR A 49 -13.318 -1.173 -1.407 1.00 0.00 O ATOM 0 H TYR A 49 -10.299 -7.809 -0.181 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.713 -7.069 -1.807 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.819 -6.192 -2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.805 -6.370 -3.519 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.230 -5.284 -3.366 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.896 -4.141 -0.911 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.312 -3.100 -2.917 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.982 -1.958 -0.461 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.744 -0.640 -0.818 1.00 0.00 H new ATOM 823 N ASP A 50 -12.354 -9.113 -3.201 1.00 0.00 N ATOM 824 CA ASP A 50 -12.184 -10.396 -3.936 1.00 0.00 C ATOM 825 C ASP A 50 -11.550 -10.118 -5.298 1.00 0.00 C ATOM 826 O ASP A 50 -10.977 -10.991 -5.918 1.00 0.00 O ATOM 827 CB ASP A 50 -13.552 -11.047 -4.152 1.00 0.00 C ATOM 828 CG ASP A 50 -14.106 -11.546 -2.817 1.00 0.00 C ATOM 829 OD1 ASP A 50 -13.349 -11.590 -1.862 1.00 0.00 O ATOM 830 OD2 ASP A 50 -15.280 -11.877 -2.772 1.00 0.00 O ATOM 0 H ASP A 50 -13.261 -8.664 -3.325 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.545 -11.062 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.241 -10.328 -4.596 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.463 -11.878 -4.852 1.00 0.00 H new ATOM 835 N LEU A 51 -11.674 -8.908 -5.779 1.00 0.00 N ATOM 836 CA LEU A 51 -11.110 -8.565 -7.118 1.00 0.00 C ATOM 837 C LEU A 51 -9.678 -8.043 -6.983 1.00 0.00 C ATOM 838 O LEU A 51 -9.381 -7.197 -6.162 1.00 0.00 O ATOM 839 CB LEU A 51 -11.984 -7.487 -7.765 1.00 0.00 C ATOM 840 CG LEU A 51 -13.428 -7.993 -7.885 1.00 0.00 C ATOM 841 CD1 LEU A 51 -14.305 -6.884 -8.478 1.00 0.00 C ATOM 842 CD2 LEU A 51 -13.479 -9.235 -8.793 1.00 0.00 C ATOM 0 H LEU A 51 -12.144 -8.140 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.096 -9.462 -7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.956 -6.576 -7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.595 -7.233 -8.751 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.798 -8.264 -6.896 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.332 -7.239 -8.565 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.277 -6.011 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.930 -6.612 -9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.508 -9.586 -8.872 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.107 -8.976 -9.784 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.858 -10.023 -8.367 1.00 0.00 H new ATOM 854 N GLU A 52 -8.794 -8.547 -7.802 1.00 0.00 N ATOM 855 CA GLU A 52 -7.376 -8.100 -7.762 1.00 0.00 C ATOM 856 C GLU A 52 -7.292 -6.646 -8.226 1.00 0.00 C ATOM 857 O GLU A 52 -6.522 -5.860 -7.711 1.00 0.00 O ATOM 858 CB GLU A 52 -6.547 -8.980 -8.703 1.00 0.00 C ATOM 859 CG GLU A 52 -5.071 -8.582 -8.621 1.00 0.00 C ATOM 860 CD GLU A 52 -4.254 -9.477 -9.554 1.00 0.00 C ATOM 861 OE1 GLU A 52 -4.857 -10.184 -10.343 1.00 0.00 O ATOM 862 OE2 GLU A 52 -3.038 -9.436 -9.465 1.00 0.00 O ATOM 0 H GLU A 52 -8.999 -9.258 -8.504 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.991 -8.182 -6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.666 -10.029 -8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.906 -8.872 -9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.948 -7.536 -8.902 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.712 -8.681 -7.597 1.00 0.00 H new ATOM 869 N ALA A 53 -8.079 -6.291 -9.205 1.00 0.00 N ATOM 870 CA ALA A 53 -8.052 -4.898 -9.725 1.00 0.00 C ATOM 871 C ALA A 53 -8.423 -3.922 -8.608 1.00 0.00 C ATOM 872 O ALA A 53 -7.843 -2.862 -8.480 1.00 0.00 O ATOM 873 CB ALA A 53 -9.062 -4.773 -10.868 1.00 0.00 C ATOM 0 H ALA A 53 -8.743 -6.911 -9.668 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.051 -4.662 -10.087 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.049 -3.754 -11.255 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.797 -5.468 -11.665 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.060 -5.008 -10.499 1.00 0.00 H new ATOM 879 N ASP A 54 -9.388 -4.272 -7.801 1.00 0.00 N ATOM 880 CA ASP A 54 -9.803 -3.367 -6.694 1.00 0.00 C ATOM 881 C ASP A 54 -8.641 -3.173 -5.720 1.00 0.00 C ATOM 882 O ASP A 54 -8.375 -2.078 -5.264 1.00 0.00 O ATOM 883 CB ASP A 54 -10.983 -3.992 -5.947 1.00 0.00 C ATOM 884 CG ASP A 54 -12.242 -3.915 -6.812 1.00 0.00 C ATOM 885 OD1 ASP A 54 -12.223 -3.180 -7.786 1.00 0.00 O ATOM 886 OD2 ASP A 54 -13.202 -4.592 -6.487 1.00 0.00 O ATOM 0 H ASP A 54 -9.907 -5.148 -7.862 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.094 -2.402 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.762 -5.031 -5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.146 -3.470 -5.004 1.00 0.00 H new ATOM 891 N ALA A 55 -7.953 -4.233 -5.392 1.00 0.00 N ATOM 892 CA ALA A 55 -6.816 -4.126 -4.436 1.00 0.00 C ATOM 893 C ALA A 55 -5.712 -3.252 -5.031 1.00 0.00 C ATOM 894 O ALA A 55 -5.102 -2.454 -4.345 1.00 0.00 O ATOM 895 CB ALA A 55 -6.265 -5.527 -4.155 1.00 0.00 C ATOM 0 H ALA A 55 -8.131 -5.172 -5.747 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.165 -3.672 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.432 -5.457 -3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.050 -6.147 -3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.920 -5.976 -5.086 1.00 0.00 H new ATOM 901 N GLU A 56 -5.446 -3.401 -6.299 1.00 0.00 N ATOM 902 CA GLU A 56 -4.375 -2.589 -6.942 1.00 0.00 C ATOM 903 C GLU A 56 -4.785 -1.113 -6.970 1.00 0.00 C ATOM 904 O GLU A 56 -4.026 -0.242 -6.592 1.00 0.00 O ATOM 905 CB GLU A 56 -4.170 -3.081 -8.378 1.00 0.00 C ATOM 906 CG GLU A 56 -3.619 -4.511 -8.361 1.00 0.00 C ATOM 907 CD GLU A 56 -2.205 -4.514 -7.783 1.00 0.00 C ATOM 908 OE1 GLU A 56 -1.378 -3.783 -8.298 1.00 0.00 O ATOM 909 OE2 GLU A 56 -1.971 -5.249 -6.839 1.00 0.00 O ATOM 0 H GLU A 56 -5.926 -4.053 -6.920 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.451 -2.694 -6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.115 -3.052 -8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.480 -2.421 -8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.267 -5.153 -7.764 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.609 -4.919 -9.372 1.00 0.00 H new ATOM 916 N ARG A 57 -5.977 -0.830 -7.426 1.00 0.00 N ATOM 917 CA ARG A 57 -6.441 0.585 -7.496 1.00 0.00 C ATOM 918 C ARG A 57 -6.578 1.152 -6.082 1.00 0.00 C ATOM 919 O ARG A 57 -6.175 2.265 -5.805 1.00 0.00 O ATOM 920 CB ARG A 57 -7.799 0.631 -8.204 1.00 0.00 C ATOM 921 CG ARG A 57 -8.241 2.085 -8.381 1.00 0.00 C ATOM 922 CD ARG A 57 -9.589 2.125 -9.105 1.00 0.00 C ATOM 923 NE ARG A 57 -10.638 1.519 -8.236 1.00 0.00 N ATOM 924 CZ ARG A 57 -11.856 1.368 -8.685 1.00 0.00 C ATOM 925 NH1 ARG A 57 -12.163 1.751 -9.895 1.00 0.00 N ATOM 926 NH2 ARG A 57 -12.771 0.838 -7.919 1.00 0.00 N ATOM 0 H ARG A 57 -6.651 -1.522 -7.754 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.717 1.182 -8.051 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.730 0.141 -9.175 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.541 0.084 -7.623 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.324 2.572 -7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.494 2.636 -8.951 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.853 3.154 -9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.524 1.582 -10.048 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.404 1.222 -7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.451 2.170 -10.493 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.115 1.631 -10.242 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.535 0.543 -6.972 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.722 0.719 -8.268 1.00 0.00 H new ATOM 940 N VAL A 58 -7.143 0.386 -5.187 1.00 0.00 N ATOM 941 CA VAL A 58 -7.312 0.860 -3.787 1.00 0.00 C ATOM 942 C VAL A 58 -5.938 1.050 -3.142 1.00 0.00 C ATOM 943 O VAL A 58 -5.700 2.011 -2.440 1.00 0.00 O ATOM 944 CB VAL A 58 -8.120 -0.176 -2.995 1.00 0.00 C ATOM 945 CG1 VAL A 58 -8.123 0.194 -1.509 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.564 -0.205 -3.516 1.00 0.00 C ATOM 0 H VAL A 58 -7.496 -0.553 -5.369 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.843 1.812 -3.784 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.665 -1.159 -3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.698 -0.545 -0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.099 0.213 -1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.574 1.178 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.139 -0.941 -2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.015 0.779 -3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.564 -0.474 -4.572 1.00 0.00 H new ATOM 956 N SER A 59 -5.041 0.130 -3.363 1.00 0.00 N ATOM 957 CA SER A 59 -3.690 0.245 -2.753 1.00 0.00 C ATOM 958 C SER A 59 -3.032 1.555 -3.190 1.00 0.00 C ATOM 959 O SER A 59 -2.414 2.240 -2.399 1.00 0.00 O ATOM 960 CB SER A 59 -2.832 -0.932 -3.216 1.00 0.00 C ATOM 961 OG SER A 59 -2.744 -0.917 -4.635 1.00 0.00 O ATOM 0 H SER A 59 -5.187 -0.698 -3.941 1.00 0.00 H new ATOM 0 HA SER A 59 -3.780 0.235 -1.667 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.836 -0.866 -2.777 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.269 -1.871 -2.877 1.00 0.00 H new ATOM 0 HG SER A 59 -3.530 -0.465 -5.007 1.00 0.00 H new ATOM 967 N ILE A 60 -3.155 1.912 -4.442 1.00 0.00 N ATOM 968 CA ILE A 60 -2.533 3.178 -4.916 1.00 0.00 C ATOM 969 C ILE A 60 -3.203 4.365 -4.219 1.00 0.00 C ATOM 970 O ILE A 60 -2.546 5.277 -3.752 1.00 0.00 O ATOM 971 CB ILE A 60 -2.727 3.295 -6.431 1.00 0.00 C ATOM 972 CG1 ILE A 60 -1.910 2.207 -7.131 1.00 0.00 C ATOM 973 CG2 ILE A 60 -2.254 4.673 -6.906 1.00 0.00 C ATOM 974 CD1 ILE A 60 -2.317 2.134 -8.604 1.00 0.00 C ATOM 0 H ILE A 60 -3.658 1.381 -5.153 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.468 3.177 -4.683 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.783 3.173 -6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.845 2.426 -7.047 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.077 1.244 -6.648 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.393 4.754 -7.984 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.834 5.449 -6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.198 4.798 -6.666 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.736 1.359 -9.104 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.378 1.896 -8.677 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.127 3.095 -9.082 1.00 0.00 H new ATOM 986 N ALA A 61 -4.508 4.354 -4.142 1.00 0.00 N ATOM 987 CA ALA A 61 -5.230 5.475 -3.478 1.00 0.00 C ATOM 988 C ALA A 61 -4.913 5.471 -1.983 1.00 0.00 C ATOM 989 O ALA A 61 -4.644 6.500 -1.390 1.00 0.00 O ATOM 990 CB ALA A 61 -6.736 5.291 -3.682 1.00 0.00 C ATOM 0 H ALA A 61 -5.105 3.614 -4.512 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.914 6.424 -3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.271 6.108 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.961 5.290 -4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.049 4.343 -3.245 1.00 0.00 H new ATOM 996 N CYS A 62 -4.937 4.318 -1.374 1.00 0.00 N ATOM 997 CA CYS A 62 -4.634 4.232 0.078 1.00 0.00 C ATOM 998 C CYS A 62 -3.177 4.613 0.311 1.00 0.00 C ATOM 999 O CYS A 62 -2.854 5.355 1.217 1.00 0.00 O ATOM 1000 CB CYS A 62 -4.870 2.799 0.560 1.00 0.00 C ATOM 1001 SG CYS A 62 -6.633 2.408 0.444 1.00 0.00 S ATOM 0 H CYS A 62 -5.155 3.429 -1.824 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.282 4.913 0.630 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.291 2.101 -0.044 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.529 2.689 1.589 1.00 0.00 H new ATOM 0 HG CYS A 62 -7.115 2.218 1.636 1.00 0.00 H new ATOM 1007 N ALA A 63 -2.295 4.119 -0.515 1.00 0.00 N ATOM 1008 CA ALA A 63 -0.854 4.444 -0.352 1.00 0.00 C ATOM 1009 C ALA A 63 -0.699 5.957 -0.222 1.00 0.00 C ATOM 1010 O ALA A 63 0.045 6.445 0.608 1.00 0.00 O ATOM 1011 CB ALA A 63 -0.088 3.952 -1.580 1.00 0.00 C ATOM 0 H ALA A 63 -2.514 3.502 -1.298 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.459 3.958 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.970 4.187 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.212 2.873 -1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.476 4.444 -2.472 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.403 6.702 -1.027 1.00 0.00 N ATOM 1018 CA LYS A 64 -1.306 8.183 -0.942 1.00 0.00 C ATOM 1019 C LYS A 64 -1.809 8.645 0.427 1.00 0.00 C ATOM 1020 O LYS A 64 -1.219 9.501 1.058 1.00 0.00 O ATOM 1021 CB LYS A 64 -2.164 8.811 -2.042 1.00 0.00 C ATOM 1022 CG LYS A 64 -1.541 8.516 -3.407 1.00 0.00 C ATOM 1023 CD LYS A 64 -2.405 9.141 -4.503 1.00 0.00 C ATOM 1024 CE LYS A 64 -1.759 8.904 -5.868 1.00 0.00 C ATOM 1025 NZ LYS A 64 -1.728 7.443 -6.156 1.00 0.00 N ATOM 0 H LYS A 64 -2.041 6.348 -1.740 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.268 8.491 -1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.178 8.412 -1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.238 9.888 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.529 8.918 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.463 7.439 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.405 8.707 -4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.518 10.210 -4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.320 9.426 -6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.747 9.309 -5.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.743 7.135 -6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.153 6.923 -5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.266 7.249 -7.024 1.00 0.00 H new ATOM 1039 N ILE A 65 -2.899 8.085 0.891 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.442 8.494 2.218 1.00 0.00 C ATOM 1041 C ILE A 65 -2.444 8.131 3.320 1.00 0.00 C ATOM 1042 O ILE A 65 -2.181 8.913 4.212 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.769 7.765 2.468 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.826 8.282 1.485 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -5.238 8.021 3.905 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -7.079 7.399 1.547 1.00 0.00 C ATOM 0 H ILE A 65 -3.434 7.364 0.407 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.607 9.571 2.226 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.626 6.694 2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.085 9.313 1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.422 8.284 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.181 7.502 4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.487 7.653 4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.380 9.091 4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.824 7.774 0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.816 6.375 1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.489 7.420 2.557 1.00 0.00 H new ATOM 1058 N ILE A 66 -1.894 6.948 3.269 1.00 0.00 N ATOM 1059 CA ILE A 66 -0.919 6.526 4.312 1.00 0.00 C ATOM 1060 C ILE A 66 0.340 7.396 4.205 1.00 0.00 C ATOM 1061 O ILE A 66 0.855 7.883 5.193 1.00 0.00 O ATOM 1062 CB ILE A 66 -0.565 5.035 4.100 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -1.685 4.131 4.661 1.00 0.00 C ATOM 1064 CG2 ILE A 66 0.755 4.694 4.805 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -2.850 4.054 3.672 1.00 0.00 C ATOM 0 H ILE A 66 -2.080 6.253 2.546 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.351 6.650 5.305 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.460 4.860 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.294 3.132 4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.035 4.524 5.616 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.991 3.642 4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.556 5.311 4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.657 4.887 5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.632 3.414 4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.251 5.054 3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.498 3.640 2.727 1.00 0.00 H new ATOM 1077 N ILE A 67 0.835 7.589 3.013 1.00 0.00 N ATOM 1078 CA ILE A 67 2.058 8.420 2.836 1.00 0.00 C ATOM 1079 C ILE A 67 1.762 9.864 3.246 1.00 0.00 C ATOM 1080 O ILE A 67 2.538 10.496 3.938 1.00 0.00 O ATOM 1081 CB ILE A 67 2.473 8.369 1.363 1.00 0.00 C ATOM 1082 CG1 ILE A 67 2.956 6.955 1.026 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.604 9.369 1.108 1.00 0.00 C ATOM 1084 CD1 ILE A 67 3.038 6.790 -0.493 1.00 0.00 C ATOM 0 H ILE A 67 0.444 7.206 2.153 1.00 0.00 H new ATOM 0 HA ILE A 67 2.865 8.037 3.460 1.00 0.00 H new ATOM 0 HB ILE A 67 1.620 8.627 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.933 6.777 1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.273 6.217 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.896 9.329 0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.262 10.375 1.351 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.461 9.116 1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.382 5.784 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.052 6.950 -0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.738 7.519 -0.901 1.00 0.00 H new ATOM 1096 N ASP A 68 0.643 10.386 2.824 1.00 0.00 N ATOM 1097 CA ASP A 68 0.280 11.786 3.179 1.00 0.00 C ATOM 1098 C ASP A 68 -0.019 11.882 4.677 1.00 0.00 C ATOM 1099 O ASP A 68 0.441 12.778 5.358 1.00 0.00 O ATOM 1100 CB ASP A 68 -0.960 12.187 2.378 1.00 0.00 C ATOM 1101 CG ASP A 68 -1.364 13.620 2.722 1.00 0.00 C ATOM 1102 OD1 ASP A 68 -0.768 14.182 3.624 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -2.261 14.131 2.073 1.00 0.00 O ATOM 0 H ASP A 68 -0.040 9.898 2.244 1.00 0.00 H new ATOM 0 HA ASP A 68 1.108 12.454 2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.756 12.104 1.310 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.782 11.506 2.599 1.00 0.00 H new ATOM 1108 N SER A 69 -0.793 10.964 5.188 1.00 0.00 N ATOM 1109 CA SER A 69 -1.140 10.985 6.637 1.00 0.00 C ATOM 1110 C SER A 69 0.123 10.818 7.482 1.00 0.00 C ATOM 1111 O SER A 69 0.301 11.477 8.487 1.00 0.00 O ATOM 1112 CB SER A 69 -2.106 9.840 6.937 1.00 0.00 C ATOM 1113 OG SER A 69 -3.293 10.020 6.178 1.00 0.00 O ATOM 0 H SER A 69 -1.203 10.194 4.659 1.00 0.00 H new ATOM 0 HA SER A 69 -1.607 11.939 6.881 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.644 8.884 6.690 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.341 9.815 8.001 1.00 0.00 H new ATOM 0 HG SER A 69 -3.300 9.389 5.428 1.00 0.00 H new ATOM 1119 N HIS A 70 0.995 9.933 7.084 1.00 0.00 N ATOM 1120 CA HIS A 70 2.242 9.701 7.863 1.00 0.00 C ATOM 1121 C HIS A 70 3.042 11.003 7.955 1.00 0.00 C ATOM 1122 O HIS A 70 3.577 11.343 8.992 1.00 0.00 O ATOM 1123 CB HIS A 70 3.079 8.632 7.157 1.00 0.00 C ATOM 1124 CG HIS A 70 4.311 8.341 7.965 1.00 0.00 C ATOM 1125 ND1 HIS A 70 4.295 7.487 9.055 1.00 0.00 N ATOM 1126 CD2 HIS A 70 5.605 8.783 7.853 1.00 0.00 C ATOM 1127 CE1 HIS A 70 5.544 7.440 9.553 1.00 0.00 C ATOM 1128 NE2 HIS A 70 6.382 8.213 8.857 1.00 0.00 N ATOM 0 H HIS A 70 0.896 9.358 6.248 1.00 0.00 H new ATOM 0 HA HIS A 70 1.990 9.366 8.869 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.492 7.722 7.029 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.358 8.974 6.160 1.00 0.00 H new ATOM 0 HD1 HIS A 70 3.484 6.985 9.415 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.966 9.469 7.101 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.833 6.850 10.410 1.00 0.00 H new ATOM 1136 N LEU A 71 3.127 11.726 6.874 1.00 0.00 N ATOM 1137 CA LEU A 71 3.890 13.005 6.878 1.00 0.00 C ATOM 1138 C LEU A 71 3.212 14.008 7.815 1.00 0.00 C ATOM 1139 O LEU A 71 3.866 14.790 8.477 1.00 0.00 O ATOM 1140 CB LEU A 71 3.939 13.570 5.456 1.00 0.00 C ATOM 1141 CG LEU A 71 4.796 12.661 4.561 1.00 0.00 C ATOM 1142 CD1 LEU A 71 4.576 13.051 3.099 1.00 0.00 C ATOM 1143 CD2 LEU A 71 6.290 12.810 4.910 1.00 0.00 C ATOM 0 H LEU A 71 2.697 11.484 5.981 1.00 0.00 H new ATOM 0 HA LEU A 71 4.906 12.823 7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.930 13.647 5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.355 14.578 5.470 1.00 0.00 H new ATOM 0 HG LEU A 71 4.502 11.624 4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.181 12.411 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.523 12.930 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.867 14.091 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.881 12.159 4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.597 13.845 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.450 12.532 5.952 1.00 0.00 H new ATOM 1155 N ASP A 72 1.908 13.997 7.870 1.00 0.00 N ATOM 1156 CA ASP A 72 1.193 14.957 8.756 1.00 0.00 C ATOM 1157 C ASP A 72 1.530 14.656 10.218 1.00 0.00 C ATOM 1158 O ASP A 72 1.319 15.472 11.093 1.00 0.00 O ATOM 1159 CB ASP A 72 -0.315 14.811 8.545 1.00 0.00 C ATOM 1160 CG ASP A 72 -0.694 15.363 7.170 1.00 0.00 C ATOM 1161 OD1 ASP A 72 0.125 16.049 6.582 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -1.798 15.089 6.728 1.00 0.00 O ATOM 0 H ASP A 72 1.308 13.365 7.340 1.00 0.00 H new ATOM 0 HA ASP A 72 1.503 15.974 8.514 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.603 13.763 8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.856 15.347 9.325 1.00 0.00 H new ATOM 1167 N ARG A 73 2.059 13.492 10.489 1.00 0.00 N ATOM 1168 CA ARG A 73 2.418 13.134 11.893 1.00 0.00 C ATOM 1169 C ARG A 73 3.586 12.147 11.878 1.00 0.00 C ATOM 1170 O ARG A 73 4.459 12.216 11.035 1.00 0.00 O ATOM 1171 CB ARG A 73 1.205 12.504 12.591 1.00 0.00 C ATOM 1172 CG ARG A 73 0.742 11.260 11.822 1.00 0.00 C ATOM 1173 CD ARG A 73 -0.429 10.605 12.558 1.00 0.00 C ATOM 1174 NE ARG A 73 0.060 10.012 13.836 1.00 0.00 N ATOM 1175 CZ ARG A 73 -0.769 9.390 14.632 1.00 0.00 C ATOM 1176 NH1 ARG A 73 -2.031 9.281 14.312 1.00 0.00 N ATOM 1177 NH2 ARG A 73 -0.333 8.874 15.750 1.00 0.00 N ATOM 0 H ARG A 73 2.259 12.771 9.796 1.00 0.00 H new ATOM 0 HA ARG A 73 2.712 14.031 12.438 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.465 12.233 13.614 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.393 13.228 12.650 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.440 11.537 10.812 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.566 10.552 11.726 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.205 11.343 12.760 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.879 9.833 11.934 1.00 0.00 H new ATOM 0 HE ARG A 73 1.045 10.092 14.090 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.372 9.682 13.438 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.675 8.795 14.936 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.652 8.957 16.000 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.978 8.388 16.373 1.00 0.00 H new ATOM 1191 N HIS A 74 3.608 11.226 12.804 1.00 0.00 N ATOM 1192 CA HIS A 74 4.711 10.224 12.857 1.00 0.00 C ATOM 1193 C HIS A 74 4.126 8.862 13.240 1.00 0.00 C ATOM 1194 O HIS A 74 4.669 8.147 14.058 1.00 0.00 O ATOM 1195 CB HIS A 74 5.747 10.666 13.898 1.00 0.00 C ATOM 1196 CG HIS A 74 5.162 10.556 15.282 1.00 0.00 C ATOM 1197 ND1 HIS A 74 5.244 9.572 16.235 1.00 0.00 N flip ATOM 1198 CD2 HIS A 74 4.370 11.550 15.832 1.00 0.00 C flip ATOM 1199 CE1 HIS A 74 4.517 9.948 17.360 1.00 0.00 C flip ATOM 1200 NE2 HIS A 74 4.011 11.148 17.064 1.00 0.00 N flip ATOM 0 H HIS A 74 2.902 11.125 13.533 1.00 0.00 H new ATOM 0 HA HIS A 74 5.197 10.147 11.884 1.00 0.00 H new ATOM 0 HB2 HIS A 74 6.640 10.046 13.821 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.055 11.694 13.704 1.00 0.00 H new ATOM 0 HD2 HIS A 74 4.091 12.479 15.358 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.389 9.390 18.276 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.424 11.693 17.695 1.00 0.00 H new ATOM 1208 N ASP A 75 3.016 8.503 12.652 1.00 0.00 N ATOM 1209 CA ASP A 75 2.386 7.193 12.979 1.00 0.00 C ATOM 1210 C ASP A 75 3.333 6.064 12.568 1.00 0.00 C ATOM 1211 O ASP A 75 3.745 5.969 11.428 1.00 0.00 O ATOM 1212 CB ASP A 75 1.060 7.064 12.218 1.00 0.00 C ATOM 1213 CG ASP A 75 0.389 5.734 12.567 1.00 0.00 C ATOM 1214 OD1 ASP A 75 0.839 5.094 13.502 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -0.565 5.379 11.893 1.00 0.00 O ATOM 0 H ASP A 75 2.519 9.062 11.959 1.00 0.00 H new ATOM 0 HA ASP A 75 2.193 7.131 14.050 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.401 7.893 12.475 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.239 7.121 11.144 1.00 0.00 H new ATOM 1220 N GLN A 76 3.685 5.213 13.498 1.00 0.00 N ATOM 1221 CA GLN A 76 4.614 4.084 13.191 1.00 0.00 C ATOM 1222 C GLN A 76 4.236 3.450 11.849 1.00 0.00 C ATOM 1223 O GLN A 76 3.415 2.557 11.780 1.00 0.00 O ATOM 1224 CB GLN A 76 4.514 3.040 14.310 1.00 0.00 C ATOM 1225 CG GLN A 76 5.514 1.906 14.068 1.00 0.00 C ATOM 1226 CD GLN A 76 6.940 2.455 14.147 1.00 0.00 C ATOM 1227 OE1 GLN A 76 7.241 3.279 14.988 1.00 0.00 O ATOM 1228 NE2 GLN A 76 7.836 2.029 13.300 1.00 0.00 N ATOM 0 H GLN A 76 3.365 5.253 14.466 1.00 0.00 H new ATOM 0 HA GLN A 76 5.637 4.455 13.126 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.712 3.509 15.274 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.502 2.639 14.353 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.374 1.120 14.810 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.340 1.456 13.090 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.583 1.337 12.594 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.790 2.388 13.343 1.00 0.00 H new ATOM 1237 N GLY A 77 4.839 3.911 10.784 1.00 0.00 N ATOM 1238 CA GLY A 77 4.530 3.348 9.439 1.00 0.00 C ATOM 1239 C GLY A 77 5.745 3.522 8.525 1.00 0.00 C ATOM 1240 O GLY A 77 6.541 2.618 8.356 1.00 0.00 O ATOM 0 H GLY A 77 5.535 4.657 10.790 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.273 2.292 9.525 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.664 3.853 9.011 1.00 0.00 H new ATOM 1244 N LEU A 78 5.890 4.682 7.934 1.00 0.00 N ATOM 1245 CA LEU A 78 7.049 4.933 7.021 1.00 0.00 C ATOM 1246 C LEU A 78 8.109 5.758 7.755 1.00 0.00 C ATOM 1247 O LEU A 78 8.978 6.352 7.146 1.00 0.00 O ATOM 1248 CB LEU A 78 6.565 5.704 5.788 1.00 0.00 C ATOM 1249 CG LEU A 78 5.312 5.032 5.217 1.00 0.00 C ATOM 1250 CD1 LEU A 78 4.940 5.692 3.888 1.00 0.00 C ATOM 1251 CD2 LEU A 78 5.575 3.536 4.994 1.00 0.00 C ATOM 0 H LEU A 78 5.252 5.470 8.045 1.00 0.00 H new ATOM 0 HA LEU A 78 7.482 3.982 6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.345 6.737 6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.351 5.732 5.033 1.00 0.00 H new ATOM 0 HG LEU A 78 4.490 5.147 5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.049 5.214 3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.742 6.751 4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.764 5.581 3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.679 3.066 4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.400 3.412 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.833 3.066 5.943 1.00 0.00 H new ATOM 1263 N ALA A 79 8.044 5.797 9.060 1.00 0.00 N ATOM 1264 CA ALA A 79 9.043 6.582 9.839 1.00 0.00 C ATOM 1265 C ALA A 79 10.443 6.011 9.596 1.00 0.00 C ATOM 1266 O ALA A 79 11.410 6.738 9.488 1.00 0.00 O ATOM 1267 CB ALA A 79 8.704 6.488 11.331 1.00 0.00 C ATOM 0 H ALA A 79 7.340 5.317 9.620 1.00 0.00 H new ATOM 0 HA ALA A 79 9.018 7.625 9.522 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.432 7.061 11.906 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.706 6.892 11.504 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.733 5.445 11.646 1.00 0.00 H new ATOM 1273 N ASP A 80 10.552 4.714 9.511 1.00 0.00 N ATOM 1274 CA ASP A 80 11.879 4.083 9.278 1.00 0.00 C ATOM 1275 C ASP A 80 12.420 4.503 7.913 1.00 0.00 C ATOM 1276 O ASP A 80 13.607 4.702 7.739 1.00 0.00 O ATOM 1277 CB ASP A 80 11.730 2.564 9.312 1.00 0.00 C ATOM 1278 CG ASP A 80 11.498 2.100 10.751 1.00 0.00 C ATOM 1279 OD1 ASP A 80 11.748 2.882 11.652 1.00 0.00 O ATOM 1280 OD2 ASP A 80 11.071 0.970 10.926 1.00 0.00 O ATOM 0 H ASP A 80 9.773 4.061 9.594 1.00 0.00 H new ATOM 0 HA ASP A 80 12.571 4.405 10.056 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.895 2.257 8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.625 2.092 8.908 1.00 0.00 H new ATOM 1285 N LEU A 81 11.561 4.622 6.937 1.00 0.00 N ATOM 1286 CA LEU A 81 12.026 5.008 5.576 1.00 0.00 C ATOM 1287 C LEU A 81 12.156 6.530 5.504 1.00 0.00 C ATOM 1288 O LEU A 81 12.580 7.081 4.507 1.00 0.00 O ATOM 1289 CB LEU A 81 10.997 4.539 4.544 1.00 0.00 C ATOM 1290 CG LEU A 81 10.708 3.047 4.749 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.689 2.573 3.709 1.00 0.00 C ATOM 1292 CD2 LEU A 81 12.008 2.237 4.616 1.00 0.00 C ATOM 0 H LEU A 81 10.556 4.468 7.025 1.00 0.00 H new ATOM 0 HA LEU A 81 12.992 4.547 5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.077 5.115 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.373 4.712 3.536 1.00 0.00 H new ATOM 0 HG LEU A 81 10.299 2.895 5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.485 1.512 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.764 3.139 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.091 2.729 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.794 1.178 4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.430 2.387 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.723 2.570 5.368 1.00 0.00 H new ATOM 1304 N GLY A 82 11.798 7.213 6.558 1.00 0.00 N ATOM 1305 CA GLY A 82 11.902 8.700 6.559 1.00 0.00 C ATOM 1306 C GLY A 82 11.254 9.256 7.829 1.00 0.00 C ATOM 1307 O GLY A 82 11.899 9.225 8.864 1.00 0.00 O ATOM 1308 OXT GLY A 82 10.123 9.705 7.744 1.00 0.00 O ATOM 0 H GLY A 82 11.437 6.804 7.420 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.948 9.002 6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.410 9.110 5.677 1.00 0.00 H new TER 1312 GLY A 82