USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 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 VAL N :NH3+ -179:sc= -0.302 (180deg=-0.303) USER MOD Single : A 5 TYR OH : rot -57:sc= 0.744 USER MOD Single : A 8 GLN : amide:sc= 1.18 K(o=1.2,f=-0.015) USER MOD Single : A 11 ASN : amide:sc= -0.278 K(o=-0.28,f=-0.79) USER MOD Single : A 12 CYS SG : rot 25:sc= 0.598 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS :FLIP no HD1:sc=-0.00703 F(o=-0.59,f=-0.007) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 21 SER OG : rot 180:sc= 0.163 USER MOD Single : A 25 THR OG1 : rot 100:sc= 1.24 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= -0.0106 (180deg=-0.252) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00396 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.207 F(o=-1.3,f=-0.21) USER MOD Single : A 40 LYS NZ :NH3+ 152:sc= 0.021 (180deg=-0.00828) USER MOD Single : A 43 HIS : no HD1:sc= -0.672 K(o=-0.67,f=-2!) USER MOD Single : A 50 ASN : amide:sc= 0.986 K(o=0.99,f=-4.6!) USER MOD Single : A 55 ASN : amide:sc= -0.049 K(o=-0.049,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.217 11.992 6.270 1.00 0.00 N ATOM 2 CA VAL A 1 6.755 10.778 5.545 1.00 0.00 C ATOM 3 C VAL A 1 5.699 10.067 6.348 1.00 0.00 C ATOM 4 O VAL A 1 5.486 10.367 7.526 1.00 0.00 O ATOM 5 CB VAL A 1 7.920 9.836 5.212 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.828 10.505 4.155 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.704 9.418 6.477 1.00 0.00 C ATOM 0 H1 VAL A 1 7.934 12.485 5.700 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.409 12.626 6.435 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.632 11.715 7.183 1.00 0.00 H new ATOM 0 HA VAL A 1 6.321 11.096 4.597 1.00 0.00 H new ATOM 0 HB VAL A 1 7.521 8.912 4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.658 9.840 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.250 10.705 3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.218 11.443 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.520 8.752 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.111 10.305 6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.035 8.902 7.166 1.00 0.00 H new ATOM 19 N ARG A 2 5.007 9.095 5.711 1.00 0.00 N ATOM 20 CA ARG A 2 4.128 8.176 6.386 1.00 0.00 C ATOM 21 C ARG A 2 4.778 6.832 6.241 1.00 0.00 C ATOM 22 O ARG A 2 5.714 6.655 5.456 1.00 0.00 O ATOM 23 CB ARG A 2 2.670 8.119 5.833 1.00 0.00 C ATOM 24 CG ARG A 2 2.520 7.782 4.332 1.00 0.00 C ATOM 25 CD ARG A 2 2.186 8.969 3.407 1.00 0.00 C ATOM 26 NE ARG A 2 0.698 9.208 3.329 1.00 0.00 N ATOM 27 CZ ARG A 2 0.026 10.144 4.068 1.00 0.00 C ATOM 28 NH1 ARG A 2 0.664 10.908 5.002 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.314 10.314 3.860 1.00 0.00 N ATOM 0 H ARG A 2 5.059 8.944 4.704 1.00 0.00 H new ATOM 0 HA ARG A 2 4.005 8.506 7.418 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.115 7.377 6.407 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.197 9.084 6.016 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.448 7.327 3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.738 7.031 4.224 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.681 9.868 3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.577 8.775 2.408 1.00 0.00 H new ATOM 0 HE ARG A 2 0.157 8.634 2.683 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.664 10.788 5.162 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.141 11.599 5.540 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.798 9.748 3.163 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.830 11.007 4.402 1.00 0.00 H new ATOM 43 N ASP A 3 4.260 5.834 6.981 1.00 0.00 N ATOM 44 CA ASP A 3 4.553 4.447 6.770 1.00 0.00 C ATOM 45 C ASP A 3 3.126 4.031 6.715 1.00 0.00 C ATOM 46 O ASP A 3 2.304 4.669 7.382 1.00 0.00 O ATOM 47 CB ASP A 3 5.246 3.718 7.952 1.00 0.00 C ATOM 48 CG ASP A 3 6.566 4.402 8.311 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.477 4.430 7.444 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.686 4.896 9.464 1.00 0.00 O ATOM 0 H ASP A 3 3.614 5.997 7.754 1.00 0.00 H new ATOM 0 HA ASP A 3 5.233 4.240 5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.586 3.713 8.819 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.431 2.677 7.686 1.00 0.00 H new ATOM 55 N GLY A 4 2.753 3.047 5.881 1.00 0.00 N ATOM 56 CA GLY A 4 1.371 2.680 5.840 1.00 0.00 C ATOM 57 C GLY A 4 1.330 1.339 5.226 1.00 0.00 C ATOM 58 O GLY A 4 2.355 0.838 4.764 1.00 0.00 O ATOM 0 H GLY A 4 3.373 2.525 5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.940 2.665 6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.793 3.396 5.255 1.00 0.00 H new ATOM 62 N TYR A 5 0.109 0.780 5.127 1.00 0.00 N ATOM 63 CA TYR A 5 -0.207 -0.287 4.218 1.00 0.00 C ATOM 64 C TYR A 5 -0.441 0.439 2.932 1.00 0.00 C ATOM 65 O TYR A 5 -1.161 1.433 2.954 1.00 0.00 O ATOM 66 CB TYR A 5 -1.527 -0.974 4.598 1.00 0.00 C ATOM 67 CG TYR A 5 -1.349 -1.828 5.804 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.721 -3.073 5.686 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.824 -1.407 7.058 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.608 -3.907 6.802 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.735 -2.254 8.167 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.164 -3.523 8.026 1.00 0.00 C ATOM 73 OH TYR A 5 -1.263 -4.475 9.058 1.00 0.00 O ATOM 0 H TYR A 5 -0.684 1.077 5.695 1.00 0.00 H new ATOM 0 HA TYR A 5 0.571 -1.050 4.198 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.292 -0.222 4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.879 -1.582 3.765 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.324 -3.389 4.733 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.260 -0.425 7.166 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.090 -4.851 6.719 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.106 -1.930 9.128 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.783 -5.244 8.745 1.00 0.00 H new ATOM 83 N ILE A 6 0.177 0.035 1.805 1.00 0.00 N ATOM 84 CA ILE A 6 0.014 0.778 0.579 1.00 0.00 C ATOM 85 C ILE A 6 -1.175 0.175 -0.125 1.00 0.00 C ATOM 86 O ILE A 6 -1.396 -1.053 -0.098 1.00 0.00 O ATOM 87 CB ILE A 6 1.273 0.988 -0.273 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.056 2.042 -1.398 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.813 -0.351 -0.789 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.299 2.362 -2.234 1.00 0.00 C ATOM 0 H ILE A 6 0.778 -0.786 1.736 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.181 1.825 0.811 1.00 0.00 H new ATOM 0 HB ILE A 6 2.046 1.412 0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.271 1.684 -2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.694 2.965 -0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.705 -0.176 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.065 -0.992 0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.053 -0.838 -1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.047 3.105 -2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.082 2.755 -1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.653 1.454 -2.722 1.00 0.00 H new ATOM 102 N ALA A 7 -1.963 1.107 -0.711 1.00 0.00 N ATOM 103 CA ALA A 7 -3.150 0.877 -1.470 1.00 0.00 C ATOM 104 C ALA A 7 -2.825 1.064 -2.917 1.00 0.00 C ATOM 105 O ALA A 7 -1.709 0.842 -3.374 1.00 0.00 O ATOM 106 CB ALA A 7 -4.284 1.866 -1.122 1.00 0.00 C ATOM 0 H ALA A 7 -1.744 2.101 -0.643 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.493 -0.132 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.161 1.643 -1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.540 1.769 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.953 2.885 -1.323 1.00 0.00 H new ATOM 112 N GLN A 8 -3.848 1.506 -3.658 1.00 0.00 N ATOM 113 CA GLN A 8 -3.870 1.838 -5.036 1.00 0.00 C ATOM 114 C GLN A 8 -4.820 2.990 -4.884 1.00 0.00 C ATOM 115 O GLN A 8 -5.462 3.059 -3.826 1.00 0.00 O ATOM 116 CB GLN A 8 -4.571 0.766 -5.908 1.00 0.00 C ATOM 117 CG GLN A 8 -3.983 -0.636 -5.727 1.00 0.00 C ATOM 118 CD GLN A 8 -4.858 -1.620 -6.499 1.00 0.00 C ATOM 119 OE1 GLN A 8 -4.801 -1.662 -7.732 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.695 -2.410 -5.765 1.00 0.00 N ATOM 0 H GLN A 8 -4.766 1.645 -3.235 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.895 1.982 -5.501 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.632 0.743 -5.661 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.494 1.053 -6.957 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.957 -0.669 -6.095 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.952 -0.902 -4.670 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.704 -2.337 -4.748 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.312 -3.074 -6.234 1.00 0.00 H new ATOM 129 N PRO A 9 -4.991 3.872 -5.854 1.00 0.00 N ATOM 130 CA PRO A 9 -6.085 4.825 -5.849 1.00 0.00 C ATOM 131 C PRO A 9 -7.391 4.066 -5.963 1.00 0.00 C ATOM 132 O PRO A 9 -7.368 2.974 -6.526 1.00 0.00 O ATOM 133 CB PRO A 9 -5.853 5.670 -7.114 1.00 0.00 C ATOM 134 CG PRO A 9 -4.348 5.552 -7.376 1.00 0.00 C ATOM 135 CD PRO A 9 -4.038 4.120 -6.935 1.00 0.00 C ATOM 0 HA PRO A 9 -6.128 5.435 -4.947 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.434 5.294 -7.956 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.150 6.707 -6.960 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.107 5.713 -8.427 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.779 6.284 -6.803 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.169 3.412 -7.754 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.008 4.022 -6.591 1.00 0.00 H new ATOM 143 N GLU A 10 -8.537 4.560 -5.450 1.00 0.00 N ATOM 144 CA GLU A 10 -8.720 5.825 -4.786 1.00 0.00 C ATOM 145 C GLU A 10 -8.442 5.629 -3.326 1.00 0.00 C ATOM 146 O GLU A 10 -7.650 6.338 -2.715 1.00 0.00 O ATOM 147 CB GLU A 10 -10.174 6.335 -4.940 1.00 0.00 C ATOM 148 CG GLU A 10 -10.587 6.568 -6.406 1.00 0.00 C ATOM 149 CD GLU A 10 -9.662 7.608 -7.038 1.00 0.00 C ATOM 150 OE1 GLU A 10 -9.688 8.782 -6.584 1.00 0.00 O ATOM 151 OE2 GLU A 10 -8.910 7.237 -7.979 1.00 0.00 O ATOM 0 H GLU A 10 -9.408 4.032 -5.503 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.046 6.557 -5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.854 5.613 -4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.285 7.267 -4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.534 5.632 -6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.621 6.909 -6.454 1.00 0.00 H new ATOM 158 N ASN A 11 -9.106 4.622 -2.751 1.00 0.00 N ATOM 159 CA ASN A 11 -9.107 4.233 -1.384 1.00 0.00 C ATOM 160 C ASN A 11 -9.110 2.812 -1.800 1.00 0.00 C ATOM 161 O ASN A 11 -9.999 2.502 -2.586 1.00 0.00 O ATOM 162 CB ASN A 11 -10.477 4.598 -0.729 1.00 0.00 C ATOM 163 CG ASN A 11 -10.596 4.220 0.749 1.00 0.00 C ATOM 164 OD1 ASN A 11 -10.822 5.116 1.571 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.461 2.912 1.105 1.00 0.00 N ATOM 0 H ASN A 11 -9.708 4.015 -3.308 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.362 4.616 -0.686 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.639 5.671 -0.830 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.274 4.101 -1.283 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.546 2.639 2.084 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.275 2.206 0.393 1.00 0.00 H new ATOM 172 N CYS A 12 -8.142 1.960 -1.421 1.00 0.00 N ATOM 173 CA CYS A 12 -8.146 0.574 -1.851 1.00 0.00 C ATOM 174 C CYS A 12 -7.186 -0.056 -0.898 1.00 0.00 C ATOM 175 O CYS A 12 -6.817 0.587 0.083 1.00 0.00 O ATOM 176 CB CYS A 12 -7.655 0.326 -3.318 1.00 0.00 C ATOM 177 SG CYS A 12 -8.894 0.618 -4.612 1.00 0.00 S ATOM 0 H CYS A 12 -7.357 2.216 -0.822 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.161 0.178 -1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.796 0.969 -3.509 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.307 -0.704 -3.398 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.783 1.462 -4.179 1.00 0.00 H new ATOM 182 N VAL A 13 -6.738 -1.298 -1.195 1.00 0.00 N ATOM 183 CA VAL A 13 -5.566 -1.926 -0.663 1.00 0.00 C ATOM 184 C VAL A 13 -4.914 -2.279 -1.968 1.00 0.00 C ATOM 185 O VAL A 13 -5.584 -2.244 -3.006 1.00 0.00 O ATOM 186 CB VAL A 13 -5.782 -3.215 0.137 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.048 -2.880 1.613 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.905 -4.088 -0.464 1.00 0.00 C ATOM 0 H VAL A 13 -7.233 -1.900 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.044 -1.291 0.053 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.870 -3.808 0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.200 -3.802 2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.193 -2.343 2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.939 -2.257 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.024 -4.991 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.840 -3.528 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.645 -4.362 -1.486 1.00 0.00 H new ATOM 198 N TYR A 14 -3.613 -2.649 -1.939 1.00 0.00 N ATOM 199 CA TYR A 14 -2.970 -3.357 -3.025 1.00 0.00 C ATOM 200 C TYR A 14 -3.259 -4.805 -2.750 1.00 0.00 C ATOM 201 O TYR A 14 -4.153 -5.123 -1.976 1.00 0.00 O ATOM 202 CB TYR A 14 -1.434 -3.092 -3.127 1.00 0.00 C ATOM 203 CG TYR A 14 -1.011 -2.558 -4.478 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.440 -3.155 -5.682 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.140 -1.460 -4.551 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.051 -2.629 -6.922 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.253 -0.934 -5.786 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.214 -1.504 -6.975 1.00 0.00 C ATOM 209 OH TYR A 14 0.158 -0.932 -8.211 1.00 0.00 O ATOM 0 H TYR A 14 -2.994 -2.456 -1.151 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.354 -3.019 -3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.142 -2.381 -2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.897 -4.019 -2.925 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.076 -4.028 -5.648 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.232 -1.015 -3.640 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.395 -3.090 -7.836 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.919 -0.085 -5.822 1.00 0.00 H new ATOM 0 HH TYR A 14 0.740 -0.160 -8.052 1.00 0.00 H new ATOM 219 N HIS A 15 -2.512 -5.740 -3.343 1.00 0.00 N ATOM 220 CA HIS A 15 -2.514 -7.091 -2.877 1.00 0.00 C ATOM 221 C HIS A 15 -1.053 -7.328 -2.983 1.00 0.00 C ATOM 222 O HIS A 15 -0.354 -6.501 -3.572 1.00 0.00 O ATOM 223 CB HIS A 15 -3.317 -8.092 -3.736 1.00 0.00 C ATOM 224 CG HIS A 15 -4.795 -8.028 -3.443 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.556 -8.807 -2.637 1.00 0.00 N flip ATOM 226 CD2 HIS A 15 -5.605 -7.024 -3.905 1.00 0.00 C flip ATOM 227 CE1 HIS A 15 -6.812 -8.267 -2.619 1.00 0.00 C flip ATOM 228 NE2 HIS A 15 -6.814 -7.188 -3.390 1.00 0.00 N flip ATOM 0 H HIS A 15 -1.905 -5.567 -4.145 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.989 -7.231 -1.906 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.147 -7.882 -4.792 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.954 -9.103 -3.550 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.307 -6.232 -4.576 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.658 -8.653 -2.070 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.617 -6.582 -3.559 1.00 0.00 H new ATOM 237 N CYS A 16 -0.562 -8.429 -2.388 1.00 0.00 N ATOM 238 CA CYS A 16 0.842 -8.710 -2.309 1.00 0.00 C ATOM 239 C CYS A 16 1.006 -9.837 -3.259 1.00 0.00 C ATOM 240 O CYS A 16 0.029 -10.505 -3.589 1.00 0.00 O ATOM 241 CB CYS A 16 1.290 -9.199 -0.899 1.00 0.00 C ATOM 242 SG CYS A 16 3.100 -9.266 -0.651 1.00 0.00 S ATOM 0 H CYS A 16 -1.150 -9.140 -1.952 1.00 0.00 H new ATOM 0 HA CYS A 16 1.432 -7.818 -2.522 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.858 -8.539 -0.147 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.877 -10.193 -0.726 1.00 0.00 H new ATOM 247 N PHE A 17 2.257 -10.104 -3.661 1.00 0.00 N ATOM 248 CA PHE A 17 2.658 -11.328 -4.275 1.00 0.00 C ATOM 249 C PHE A 17 3.488 -11.860 -3.141 1.00 0.00 C ATOM 250 O PHE A 17 4.544 -11.256 -2.958 1.00 0.00 O ATOM 251 CB PHE A 17 3.593 -11.100 -5.494 1.00 0.00 C ATOM 252 CG PHE A 17 2.872 -10.404 -6.620 1.00 0.00 C ATOM 253 CD1 PHE A 17 2.697 -9.004 -6.625 1.00 0.00 C ATOM 254 CD2 PHE A 17 2.389 -11.147 -7.708 1.00 0.00 C ATOM 255 CE1 PHE A 17 2.035 -8.370 -7.685 1.00 0.00 C ATOM 256 CE2 PHE A 17 1.725 -10.516 -8.768 1.00 0.00 C ATOM 257 CZ PHE A 17 1.545 -9.128 -8.757 1.00 0.00 C ATOM 0 H PHE A 17 3.023 -9.439 -3.554 1.00 0.00 H new ATOM 0 HA PHE A 17 1.837 -11.939 -4.651 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.453 -10.504 -5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.977 -12.058 -5.844 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.077 -8.415 -5.803 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.531 -12.217 -7.728 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.903 -7.298 -7.676 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.351 -11.102 -9.595 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.030 -8.642 -9.573 1.00 0.00 H new ATOM 267 N PRO A 18 3.105 -12.860 -2.336 1.00 0.00 N ATOM 268 CA PRO A 18 3.736 -13.085 -1.044 1.00 0.00 C ATOM 269 C PRO A 18 5.241 -13.215 -0.996 1.00 0.00 C ATOM 270 O PRO A 18 5.771 -14.263 -1.357 1.00 0.00 O ATOM 271 CB PRO A 18 3.039 -14.347 -0.544 1.00 0.00 C ATOM 272 CG PRO A 18 1.579 -14.106 -0.948 1.00 0.00 C ATOM 273 CD PRO A 18 1.693 -13.268 -2.234 1.00 0.00 C ATOM 0 HA PRO A 18 3.612 -12.196 -0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.445 -15.245 -1.009 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.146 -14.469 0.534 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.052 -15.044 -1.126 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.030 -13.575 -0.170 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.392 -13.850 -3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.039 -12.397 -2.190 1.00 0.00 H new ATOM 281 N GLY A 19 5.939 -12.164 -0.524 1.00 0.00 N ATOM 282 CA GLY A 19 7.358 -12.123 -0.424 1.00 0.00 C ATOM 283 C GLY A 19 7.505 -10.647 -0.329 1.00 0.00 C ATOM 284 O GLY A 19 6.516 -9.959 -0.053 1.00 0.00 O ATOM 0 H GLY A 19 5.490 -11.308 -0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.740 -12.648 0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.860 -12.547 -1.294 1.00 0.00 H new ATOM 288 N SER A 20 8.722 -10.115 -0.572 1.00 0.00 N ATOM 289 CA SER A 20 8.906 -8.700 -0.693 1.00 0.00 C ATOM 290 C SER A 20 8.697 -8.322 -2.131 1.00 0.00 C ATOM 291 O SER A 20 8.180 -7.245 -2.404 1.00 0.00 O ATOM 292 CB SER A 20 10.307 -8.256 -0.218 1.00 0.00 C ATOM 293 OG SER A 20 11.316 -9.153 -0.674 1.00 0.00 O ATOM 0 H SER A 20 9.574 -10.664 -0.684 1.00 0.00 H new ATOM 0 HA SER A 20 8.183 -8.193 -0.054 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.517 -7.252 -0.586 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.326 -8.207 0.871 1.00 0.00 H new ATOM 0 HG SER A 20 12.192 -8.847 -0.360 1.00 0.00 H new ATOM 299 N SER A 21 9.083 -9.210 -3.074 1.00 0.00 N ATOM 300 CA SER A 21 9.354 -8.977 -4.471 1.00 0.00 C ATOM 301 C SER A 21 8.435 -8.018 -5.188 1.00 0.00 C ATOM 302 O SER A 21 8.879 -6.986 -5.701 1.00 0.00 O ATOM 303 CB SER A 21 9.378 -10.343 -5.195 1.00 0.00 C ATOM 304 OG SER A 21 9.920 -11.335 -4.318 1.00 0.00 O ATOM 0 H SER A 21 9.219 -10.192 -2.833 1.00 0.00 H new ATOM 0 HA SER A 21 10.319 -8.471 -4.503 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.370 -10.623 -5.500 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.979 -10.276 -6.102 1.00 0.00 H new ATOM 0 HG SER A 21 9.935 -12.202 -4.774 1.00 0.00 H new ATOM 310 N GLY A 22 7.122 -8.330 -5.220 1.00 0.00 N ATOM 311 CA GLY A 22 6.168 -7.537 -5.957 1.00 0.00 C ATOM 312 C GLY A 22 5.964 -6.221 -5.277 1.00 0.00 C ATOM 313 O GLY A 22 6.139 -5.166 -5.887 1.00 0.00 O ATOM 0 H GLY A 22 6.717 -9.131 -4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.524 -7.378 -6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.219 -8.069 -6.030 1.00 0.00 H new ATOM 317 N CYS A 23 5.624 -6.247 -3.965 1.00 0.00 N ATOM 318 CA CYS A 23 5.345 -5.046 -3.205 1.00 0.00 C ATOM 319 C CYS A 23 6.529 -4.132 -3.164 1.00 0.00 C ATOM 320 O CYS A 23 6.366 -2.934 -3.347 1.00 0.00 O ATOM 321 CB CYS A 23 4.976 -5.287 -1.726 1.00 0.00 C ATOM 322 SG CYS A 23 3.395 -6.138 -1.502 1.00 0.00 S ATOM 0 H CYS A 23 5.541 -7.107 -3.423 1.00 0.00 H new ATOM 0 HA CYS A 23 4.493 -4.617 -3.733 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.765 -5.874 -1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.939 -4.328 -1.209 1.00 0.00 H new ATOM 327 N ASP A 24 7.750 -4.672 -2.952 1.00 0.00 N ATOM 328 CA ASP A 24 8.969 -3.895 -2.851 1.00 0.00 C ATOM 329 C ASP A 24 9.215 -3.155 -4.137 1.00 0.00 C ATOM 330 O ASP A 24 9.505 -1.963 -4.134 1.00 0.00 O ATOM 331 CB ASP A 24 10.206 -4.769 -2.508 1.00 0.00 C ATOM 332 CG ASP A 24 11.432 -3.916 -2.162 1.00 0.00 C ATOM 333 OD1 ASP A 24 11.335 -3.095 -1.211 1.00 0.00 O ATOM 334 OD2 ASP A 24 12.478 -4.077 -2.847 1.00 0.00 O ATOM 0 H ASP A 24 7.900 -5.675 -2.847 1.00 0.00 H new ATOM 0 HA ASP A 24 8.831 -3.189 -2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.968 -5.420 -1.667 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.440 -5.414 -3.355 1.00 0.00 H new ATOM 339 N THR A 25 9.044 -3.833 -5.289 1.00 0.00 N ATOM 340 CA THR A 25 9.219 -3.208 -6.581 1.00 0.00 C ATOM 341 C THR A 25 8.201 -2.095 -6.777 1.00 0.00 C ATOM 342 O THR A 25 8.544 -1.001 -7.223 1.00 0.00 O ATOM 343 CB THR A 25 9.080 -4.224 -7.696 1.00 0.00 C ATOM 344 OG1 THR A 25 9.930 -5.346 -7.459 1.00 0.00 O ATOM 345 CG2 THR A 25 9.468 -3.609 -9.058 1.00 0.00 C ATOM 0 H THR A 25 8.783 -4.818 -5.333 1.00 0.00 H new ATOM 0 HA THR A 25 10.223 -2.785 -6.614 1.00 0.00 H new ATOM 0 HB THR A 25 8.037 -4.539 -7.718 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.403 -6.082 -7.083 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.359 -4.360 -9.841 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.816 -2.763 -9.274 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.503 -3.270 -9.022 1.00 0.00 H new ATOM 353 N LEU A 26 6.919 -2.344 -6.409 1.00 0.00 N ATOM 354 CA LEU A 26 5.850 -1.370 -6.535 1.00 0.00 C ATOM 355 C LEU A 26 6.094 -0.207 -5.610 1.00 0.00 C ATOM 356 O LEU A 26 5.897 0.956 -5.949 1.00 0.00 O ATOM 357 CB LEU A 26 4.464 -1.952 -6.180 1.00 0.00 C ATOM 358 CG LEU A 26 3.966 -3.018 -7.180 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.815 -3.840 -6.572 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.577 -2.397 -8.537 1.00 0.00 C ATOM 0 H LEU A 26 6.615 -3.235 -6.017 1.00 0.00 H new ATOM 0 HA LEU A 26 5.849 -1.061 -7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.509 -2.393 -5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.738 -1.140 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 26 4.793 -3.700 -7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.479 -4.585 -7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.163 -4.341 -5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.986 -3.177 -6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.232 -3.181 -9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.779 -1.669 -8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.444 -1.901 -8.972 1.00 0.00 H new ATOM 372 N CYS A 27 6.561 -0.510 -4.391 1.00 0.00 N ATOM 373 CA CYS A 27 6.850 0.449 -3.362 1.00 0.00 C ATOM 374 C CYS A 27 7.954 1.358 -3.815 1.00 0.00 C ATOM 375 O CYS A 27 7.857 2.577 -3.668 1.00 0.00 O ATOM 376 CB CYS A 27 7.273 -0.251 -2.048 1.00 0.00 C ATOM 377 SG CYS A 27 7.195 0.826 -0.606 1.00 0.00 S ATOM 0 H CYS A 27 6.749 -1.470 -4.102 1.00 0.00 H new ATOM 0 HA CYS A 27 5.944 1.025 -3.172 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.630 -1.115 -1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.290 -0.627 -2.157 1.00 0.00 H new ATOM 382 N LYS A 28 9.019 0.785 -4.418 1.00 0.00 N ATOM 383 CA LYS A 28 10.186 1.555 -4.788 1.00 0.00 C ATOM 384 C LYS A 28 9.935 2.406 -6.009 1.00 0.00 C ATOM 385 O LYS A 28 10.530 3.473 -6.143 1.00 0.00 O ATOM 386 CB LYS A 28 11.447 0.684 -4.992 1.00 0.00 C ATOM 387 CG LYS A 28 11.960 0.116 -3.655 1.00 0.00 C ATOM 388 CD LYS A 28 13.185 -0.807 -3.776 1.00 0.00 C ATOM 389 CE LYS A 28 14.441 -0.111 -4.320 1.00 0.00 C ATOM 390 NZ LYS A 28 15.594 -1.042 -4.339 1.00 0.00 N ATOM 0 H LYS A 28 9.077 -0.206 -4.651 1.00 0.00 H new ATOM 0 HA LYS A 28 10.381 2.213 -3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.219 -0.135 -5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.230 1.279 -5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.212 0.947 -2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.151 -0.437 -3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.410 -1.225 -2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.934 -1.643 -4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.250 0.258 -5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.678 0.755 -3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.432 -0.550 -4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.788 -1.374 -3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.373 -1.856 -4.947 1.00 0.00 H new ATOM 404 N GLU A 29 9.028 1.981 -6.921 1.00 0.00 N ATOM 405 CA GLU A 29 8.707 2.779 -8.088 1.00 0.00 C ATOM 406 C GLU A 29 7.766 3.904 -7.731 1.00 0.00 C ATOM 407 O GLU A 29 7.750 4.923 -8.418 1.00 0.00 O ATOM 408 CB GLU A 29 8.132 1.980 -9.287 1.00 0.00 C ATOM 409 CG GLU A 29 6.765 1.330 -9.028 1.00 0.00 C ATOM 410 CD GLU A 29 6.298 0.500 -10.222 1.00 0.00 C ATOM 411 OE1 GLU A 29 7.102 -0.329 -10.725 1.00 0.00 O ATOM 412 OE2 GLU A 29 5.120 0.673 -10.634 1.00 0.00 O ATOM 0 H GLU A 29 8.521 1.098 -6.857 1.00 0.00 H new ATOM 0 HA GLU A 29 9.666 3.176 -8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.045 2.649 -10.143 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.843 1.201 -9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.826 0.694 -8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.029 2.105 -8.813 1.00 0.00 H new ATOM 419 N LYS A 30 6.974 3.767 -6.635 1.00 0.00 N ATOM 420 CA LYS A 30 6.164 4.859 -6.128 1.00 0.00 C ATOM 421 C LYS A 30 7.075 5.781 -5.371 1.00 0.00 C ATOM 422 O LYS A 30 7.180 6.961 -5.695 1.00 0.00 O ATOM 423 CB LYS A 30 5.009 4.436 -5.179 1.00 0.00 C ATOM 424 CG LYS A 30 3.655 4.225 -5.884 1.00 0.00 C ATOM 425 CD LYS A 30 3.572 2.994 -6.798 1.00 0.00 C ATOM 426 CE LYS A 30 2.192 2.779 -7.437 1.00 0.00 C ATOM 427 NZ LYS A 30 1.148 2.569 -6.406 1.00 0.00 N ATOM 0 H LYS A 30 6.893 2.903 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 30 5.688 5.322 -6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.290 3.512 -4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.890 5.198 -4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.878 4.145 -5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.431 5.112 -6.477 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.316 3.091 -7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.835 2.108 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.933 3.643 -8.049 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.227 1.917 -8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.266 2.260 -6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.464 1.840 -5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.980 3.459 -5.896 1.00 0.00 H new ATOM 441 N GLY A 31 7.758 5.250 -4.342 1.00 0.00 N ATOM 442 CA GLY A 31 8.772 5.995 -3.645 1.00 0.00 C ATOM 443 C GLY A 31 8.675 5.728 -2.185 1.00 0.00 C ATOM 444 O GLY A 31 8.736 6.658 -1.382 1.00 0.00 O ATOM 0 H GLY A 31 7.612 4.304 -3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.760 5.714 -4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.651 7.061 -3.838 1.00 0.00 H new ATOM 448 N GLY A 32 8.527 4.444 -1.799 1.00 0.00 N ATOM 449 CA GLY A 32 8.705 4.006 -0.446 1.00 0.00 C ATOM 450 C GLY A 32 9.959 3.211 -0.482 1.00 0.00 C ATOM 451 O GLY A 32 10.396 2.761 -1.541 1.00 0.00 O ATOM 0 H GLY A 32 8.278 3.693 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.788 4.850 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.861 3.404 -0.108 1.00 0.00 H new ATOM 455 N THR A 33 10.594 3.044 0.688 1.00 0.00 N ATOM 456 CA THR A 33 11.979 2.643 0.763 1.00 0.00 C ATOM 457 C THR A 33 12.070 1.146 0.858 1.00 0.00 C ATOM 458 O THR A 33 13.018 0.524 0.376 1.00 0.00 O ATOM 459 CB THR A 33 12.625 3.315 1.956 1.00 0.00 C ATOM 460 OG1 THR A 33 12.378 4.713 1.848 1.00 0.00 O ATOM 461 CG2 THR A 33 14.149 3.079 2.001 1.00 0.00 C ATOM 0 H THR A 33 10.152 3.186 1.596 1.00 0.00 H new ATOM 0 HA THR A 33 12.511 2.952 -0.137 1.00 0.00 H new ATOM 0 HB THR A 33 12.201 2.894 2.868 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.784 5.177 2.610 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.569 3.580 2.873 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.350 2.010 2.065 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.606 3.481 1.097 1.00 0.00 H new ATOM 469 N SER A 34 11.066 0.510 1.479 1.00 0.00 N ATOM 470 CA SER A 34 11.043 -0.911 1.602 1.00 0.00 C ATOM 471 C SER A 34 9.589 -1.148 1.516 1.00 0.00 C ATOM 472 O SER A 34 8.817 -0.249 1.860 1.00 0.00 O ATOM 473 CB SER A 34 11.543 -1.432 2.968 1.00 0.00 C ATOM 474 OG SER A 34 12.806 -0.854 3.273 1.00 0.00 O ATOM 0 H SER A 34 10.265 0.983 1.898 1.00 0.00 H new ATOM 0 HA SER A 34 11.682 -1.404 0.870 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.822 -1.185 3.747 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.627 -2.519 2.944 1.00 0.00 H new ATOM 0 HG SER A 34 13.117 -1.187 4.141 1.00 0.00 H new ATOM 480 N GLY A 35 9.189 -2.351 1.081 1.00 0.00 N ATOM 481 CA GLY A 35 7.817 -2.687 0.967 1.00 0.00 C ATOM 482 C GLY A 35 7.947 -4.154 1.040 1.00 0.00 C ATOM 483 O GLY A 35 9.023 -4.690 0.768 1.00 0.00 O ATOM 0 H GLY A 35 9.828 -3.097 0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.212 -2.275 1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.374 -2.347 0.031 1.00 0.00 H new ATOM 487 N HIS A 36 6.866 -4.813 1.464 1.00 0.00 N ATOM 488 CA HIS A 36 6.778 -6.224 1.637 1.00 0.00 C ATOM 489 C HIS A 36 5.299 -6.295 1.768 1.00 0.00 C ATOM 490 O HIS A 36 4.647 -5.261 1.571 1.00 0.00 O ATOM 491 CB HIS A 36 7.505 -6.794 2.887 1.00 0.00 C ATOM 492 CG HIS A 36 7.254 -6.041 4.172 1.00 0.00 C ATOM 493 ND1 HIS A 36 6.356 -6.280 5.154 1.00 0.00 N flip ATOM 494 CD2 HIS A 36 7.964 -4.926 4.539 1.00 0.00 C flip ATOM 495 CE1 HIS A 36 6.528 -5.313 6.106 1.00 0.00 C flip ATOM 496 NE2 HIS A 36 7.506 -4.507 5.712 1.00 0.00 N flip ATOM 0 H HIS A 36 5.998 -4.333 1.702 1.00 0.00 H new ATOM 0 HA HIS A 36 7.253 -6.811 0.851 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.198 -7.831 3.025 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.577 -6.802 2.692 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.760 -4.468 3.971 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.964 -5.221 7.022 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.850 -3.697 6.227 1.00 0.00 H new ATOM 505 N CYS A 37 4.716 -7.468 2.099 1.00 0.00 N ATOM 506 CA CYS A 37 3.282 -7.574 2.204 1.00 0.00 C ATOM 507 C CYS A 37 2.786 -6.884 3.438 1.00 0.00 C ATOM 508 O CYS A 37 3.542 -6.367 4.260 1.00 0.00 O ATOM 509 CB CYS A 37 2.735 -9.019 2.333 1.00 0.00 C ATOM 510 SG CYS A 37 3.364 -10.194 1.123 1.00 0.00 S ATOM 0 H CYS A 37 5.225 -8.331 2.291 1.00 0.00 H new ATOM 0 HA CYS A 37 2.935 -7.129 1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.969 -9.390 3.331 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.648 -8.987 2.252 1.00 0.00 H new ATOM 515 N GLY A 38 1.462 -6.928 3.606 1.00 0.00 N ATOM 516 CA GLY A 38 0.837 -6.550 4.812 1.00 0.00 C ATOM 517 C GLY A 38 -0.481 -7.187 4.575 1.00 0.00 C ATOM 518 O GLY A 38 -0.724 -7.701 3.476 1.00 0.00 O ATOM 0 H GLY A 38 0.813 -7.235 2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.345 -6.940 5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.770 -5.469 4.935 1.00 0.00 H new ATOM 522 N PHE A 39 -1.360 -7.154 5.590 1.00 0.00 N ATOM 523 CA PHE A 39 -2.722 -7.571 5.499 1.00 0.00 C ATOM 524 C PHE A 39 -3.311 -6.443 6.276 1.00 0.00 C ATOM 525 O PHE A 39 -2.765 -6.090 7.327 1.00 0.00 O ATOM 526 CB PHE A 39 -2.986 -8.928 6.205 1.00 0.00 C ATOM 527 CG PHE A 39 -4.357 -9.480 5.913 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.479 -9.045 6.638 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.523 -10.485 4.944 1.00 0.00 C ATOM 530 CE1 PHE A 39 -6.738 -9.612 6.412 1.00 0.00 C ATOM 531 CE2 PHE A 39 -5.780 -11.055 4.714 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.889 -10.625 5.455 1.00 0.00 C ATOM 0 H PHE A 39 -1.108 -6.820 6.520 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.099 -7.740 4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.233 -9.650 5.888 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.872 -8.801 7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.369 -8.265 7.377 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.671 -10.821 4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.594 -9.269 6.975 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.895 -11.826 3.966 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.858 -11.073 5.289 1.00 0.00 H new ATOM 542 N LYS A 40 -4.388 -5.835 5.743 1.00 0.00 N ATOM 543 CA LYS A 40 -5.042 -4.698 6.321 1.00 0.00 C ATOM 544 C LYS A 40 -6.408 -5.212 6.626 1.00 0.00 C ATOM 545 O LYS A 40 -7.237 -5.390 5.730 1.00 0.00 O ATOM 546 CB LYS A 40 -5.151 -3.504 5.340 1.00 0.00 C ATOM 547 CG LYS A 40 -6.068 -2.348 5.787 1.00 0.00 C ATOM 548 CD LYS A 40 -5.685 -1.714 7.132 1.00 0.00 C ATOM 549 CE LYS A 40 -6.505 -0.463 7.484 1.00 0.00 C ATOM 550 NZ LYS A 40 -7.956 -0.766 7.554 1.00 0.00 N ATOM 0 H LYS A 40 -4.821 -6.148 4.874 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.493 -4.318 7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.151 -3.105 5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.511 -3.878 4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.057 -1.575 5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.091 -2.717 5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.813 -2.455 7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.628 -1.450 7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.169 -0.064 8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.329 0.311 6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.416 -0.108 8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.379 -0.660 6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.091 -1.742 7.886 1.00 0.00 H new ATOM 564 N VAL A 41 -6.687 -5.467 7.920 1.00 0.00 N ATOM 565 CA VAL A 41 -7.943 -6.027 8.342 1.00 0.00 C ATOM 566 C VAL A 41 -8.978 -4.941 8.182 1.00 0.00 C ATOM 567 O VAL A 41 -8.786 -3.824 8.658 1.00 0.00 O ATOM 568 CB VAL A 41 -7.934 -6.562 9.772 1.00 0.00 C ATOM 569 CG1 VAL A 41 -8.927 -7.740 9.859 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.509 -7.005 10.177 1.00 0.00 C ATOM 0 H VAL A 41 -6.036 -5.284 8.684 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.165 -6.898 7.725 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.239 -5.778 10.465 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.934 -8.136 10.875 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.927 -7.393 9.598 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.622 -8.524 9.166 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.522 -7.383 11.199 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.167 -7.791 9.504 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.832 -6.153 10.114 1.00 0.00 H new ATOM 580 N GLY A 42 -10.057 -5.235 7.434 1.00 0.00 N ATOM 581 CA GLY A 42 -11.008 -4.238 7.028 1.00 0.00 C ATOM 582 C GLY A 42 -11.151 -4.391 5.553 1.00 0.00 C ATOM 583 O GLY A 42 -12.219 -4.149 5.002 1.00 0.00 O ATOM 0 H GLY A 42 -10.275 -6.176 7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.964 -4.382 7.531 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.660 -3.238 7.286 1.00 0.00 H new ATOM 587 N HIS A 43 -10.064 -4.802 4.861 1.00 0.00 N ATOM 588 CA HIS A 43 -10.121 -5.068 3.446 1.00 0.00 C ATOM 589 C HIS A 43 -9.640 -6.467 3.243 1.00 0.00 C ATOM 590 O HIS A 43 -10.411 -7.337 2.846 1.00 0.00 O ATOM 591 CB HIS A 43 -9.257 -4.107 2.599 1.00 0.00 C ATOM 592 CG HIS A 43 -9.972 -2.841 2.206 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.420 -1.951 1.325 1.00 0.00 N ATOM 594 CD2 HIS A 43 -11.215 -2.390 2.498 1.00 0.00 C ATOM 595 CE1 HIS A 43 -10.301 -0.994 1.088 1.00 0.00 C ATOM 596 NE2 HIS A 43 -11.400 -1.233 1.789 1.00 0.00 N ATOM 0 H HIS A 43 -9.146 -4.950 5.280 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.149 -4.923 3.114 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.360 -3.848 3.161 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.930 -4.625 1.697 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.926 -2.855 3.164 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.149 -0.152 0.429 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -12.240 -0.654 1.799 1.00 0.00 H new ATOM 605 N GLY A 44 -8.346 -6.742 3.491 1.00 0.00 N ATOM 606 CA GLY A 44 -7.814 -8.036 3.188 1.00 0.00 C ATOM 607 C GLY A 44 -6.350 -7.830 3.025 1.00 0.00 C ATOM 608 O GLY A 44 -5.775 -6.932 3.644 1.00 0.00 O ATOM 0 H GLY A 44 -7.679 -6.083 3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.025 -8.745 3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.258 -8.441 2.278 1.00 0.00 H new ATOM 612 N LEU A 45 -5.733 -8.659 2.147 1.00 0.00 N ATOM 613 CA LEU A 45 -4.334 -8.655 1.756 1.00 0.00 C ATOM 614 C LEU A 45 -4.019 -7.299 1.167 1.00 0.00 C ATOM 615 O LEU A 45 -4.888 -6.715 0.523 1.00 0.00 O ATOM 616 CB LEU A 45 -4.111 -9.769 0.690 1.00 0.00 C ATOM 617 CG LEU A 45 -2.684 -9.997 0.124 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.698 -10.615 1.135 1.00 0.00 C ATOM 619 CD2 LEU A 45 -2.757 -10.891 -1.131 1.00 0.00 C ATOM 0 H LEU A 45 -6.253 -9.395 1.669 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.685 -8.845 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.447 -10.711 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.768 -9.554 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.296 -9.008 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.724 -10.742 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.599 -9.955 1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.072 -11.585 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.753 -11.048 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.198 -11.852 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.372 -10.405 -1.889 1.00 0.00 H new ATOM 631 N ALA A 46 -2.804 -6.751 1.397 1.00 0.00 N ATOM 632 CA ALA A 46 -2.495 -5.393 1.042 1.00 0.00 C ATOM 633 C ALA A 46 -1.038 -5.448 0.732 1.00 0.00 C ATOM 634 O ALA A 46 -0.475 -6.544 0.729 1.00 0.00 O ATOM 635 CB ALA A 46 -2.742 -4.415 2.211 1.00 0.00 C ATOM 0 H ALA A 46 -2.031 -7.254 1.832 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.116 -5.034 0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.495 -3.401 1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.791 -4.458 2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.115 -4.695 3.058 1.00 0.00 H new ATOM 641 N CYS A 47 -0.375 -4.284 0.499 1.00 0.00 N ATOM 642 CA CYS A 47 1.076 -4.301 0.505 1.00 0.00 C ATOM 643 C CYS A 47 1.365 -3.386 1.647 1.00 0.00 C ATOM 644 O CYS A 47 0.445 -2.736 2.143 1.00 0.00 O ATOM 645 CB CYS A 47 1.753 -3.722 -0.764 1.00 0.00 C ATOM 646 SG CYS A 47 1.968 -4.864 -2.152 1.00 0.00 S ATOM 0 H CYS A 47 -0.810 -3.380 0.316 1.00 0.00 H new ATOM 0 HA CYS A 47 1.454 -5.322 0.563 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.164 -2.872 -1.109 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.733 -3.337 -0.483 1.00 0.00 H new ATOM 651 N TRP A 48 2.636 -3.296 2.085 1.00 0.00 N ATOM 652 CA TRP A 48 3.050 -2.371 3.105 1.00 0.00 C ATOM 653 C TRP A 48 4.160 -1.592 2.448 1.00 0.00 C ATOM 654 O TRP A 48 4.757 -2.076 1.486 1.00 0.00 O ATOM 655 CB TRP A 48 3.481 -3.121 4.400 1.00 0.00 C ATOM 656 CG TRP A 48 4.205 -2.306 5.448 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.538 -2.037 5.461 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.638 -1.603 6.565 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.845 -1.180 6.476 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.694 -0.891 7.174 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.340 -1.526 7.055 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.463 -0.079 8.279 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.106 -0.718 8.177 1.00 0.00 C ATOM 664 CH2 TRP A 48 3.152 0.001 8.777 1.00 0.00 C ATOM 0 H TRP A 48 3.394 -3.876 1.725 1.00 0.00 H new ATOM 0 HA TRP A 48 2.257 -1.706 3.448 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.589 -3.549 4.858 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.123 -3.954 4.113 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.254 -2.446 4.764 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.774 -0.814 6.684 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.535 -2.072 6.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.268 0.474 8.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.108 -0.648 8.585 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.946 0.625 9.634 1.00 0.00 H new ATOM 675 N CYS A 49 4.437 -0.359 2.940 1.00 0.00 N ATOM 676 CA CYS A 49 5.549 0.440 2.500 1.00 0.00 C ATOM 677 C CYS A 49 6.013 1.172 3.716 1.00 0.00 C ATOM 678 O CYS A 49 5.207 1.546 4.568 1.00 0.00 O ATOM 679 CB CYS A 49 5.203 1.540 1.469 1.00 0.00 C ATOM 680 SG CYS A 49 5.211 0.960 -0.243 1.00 0.00 S ATOM 0 H CYS A 49 3.873 0.091 3.661 1.00 0.00 H new ATOM 0 HA CYS A 49 6.264 -0.233 2.027 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.219 1.946 1.701 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.917 2.357 1.570 1.00 0.00 H new ATOM 685 N ASN A 50 7.339 1.428 3.789 1.00 0.00 N ATOM 686 CA ASN A 50 7.921 2.297 4.783 1.00 0.00 C ATOM 687 C ASN A 50 8.454 3.475 4.033 1.00 0.00 C ATOM 688 O ASN A 50 9.105 3.318 2.997 1.00 0.00 O ATOM 689 CB ASN A 50 9.125 1.706 5.567 1.00 0.00 C ATOM 690 CG ASN A 50 8.628 0.856 6.740 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.355 -0.339 6.586 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.492 1.484 7.945 1.00 0.00 N ATOM 0 H ASN A 50 8.021 1.025 3.147 1.00 0.00 H new ATOM 0 HA ASN A 50 7.142 2.505 5.517 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.738 1.098 4.902 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.759 2.512 5.936 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.155 0.965 8.756 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.727 2.472 8.034 1.00 0.00 H new ATOM 699 N ALA A 51 8.201 4.676 4.607 1.00 0.00 N ATOM 700 CA ALA A 51 8.699 5.971 4.225 1.00 0.00 C ATOM 701 C ALA A 51 8.190 6.383 2.882 1.00 0.00 C ATOM 702 O ALA A 51 8.954 6.456 1.925 1.00 0.00 O ATOM 703 CB ALA A 51 10.231 6.129 4.306 1.00 0.00 C ATOM 0 H ALA A 51 7.587 4.742 5.418 1.00 0.00 H new ATOM 0 HA ALA A 51 8.301 6.649 4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.510 7.137 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.561 5.957 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.707 5.404 3.646 1.00 0.00 H new ATOM 709 N LEU A 52 6.876 6.678 2.806 1.00 0.00 N ATOM 710 CA LEU A 52 6.255 7.192 1.609 1.00 0.00 C ATOM 711 C LEU A 52 6.036 8.648 1.912 1.00 0.00 C ATOM 712 O LEU A 52 5.638 8.935 3.043 1.00 0.00 O ATOM 713 CB LEU A 52 4.860 6.589 1.298 1.00 0.00 C ATOM 714 CG LEU A 52 4.881 5.152 0.732 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.478 4.527 0.765 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.429 5.079 -0.701 1.00 0.00 C ATOM 0 H LEU A 52 6.230 6.559 3.586 1.00 0.00 H new ATOM 0 HA LEU A 52 6.889 6.961 0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.267 6.595 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.352 7.237 0.584 1.00 0.00 H new ATOM 0 HG LEU A 52 5.556 4.589 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.521 3.516 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.119 4.492 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.797 5.129 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.418 4.044 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.807 5.685 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.451 5.456 -0.719 1.00 0.00 H new ATOM 728 N PRO A 53 6.252 9.595 1.005 1.00 0.00 N ATOM 729 CA PRO A 53 5.948 10.996 1.246 1.00 0.00 C ATOM 730 C PRO A 53 4.462 11.234 1.335 1.00 0.00 C ATOM 731 O PRO A 53 3.681 10.359 0.969 1.00 0.00 O ATOM 732 CB PRO A 53 6.525 11.723 0.022 1.00 0.00 C ATOM 733 CG PRO A 53 7.662 10.815 -0.448 1.00 0.00 C ATOM 734 CD PRO A 53 7.097 9.422 -0.177 1.00 0.00 C ATOM 0 HA PRO A 53 6.367 11.344 2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.772 11.854 -0.755 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.890 12.716 0.283 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.891 10.963 -1.503 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.583 10.996 0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.521 9.055 -1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.892 8.699 0.006 1.00 0.00 H new ATOM 742 N ASP A 54 4.057 12.424 1.808 1.00 0.00 N ATOM 743 CA ASP A 54 2.697 12.729 2.192 1.00 0.00 C ATOM 744 C ASP A 54 1.734 12.754 1.039 1.00 0.00 C ATOM 745 O ASP A 54 0.527 12.617 1.221 1.00 0.00 O ATOM 746 CB ASP A 54 2.623 14.124 2.838 1.00 0.00 C ATOM 747 CG ASP A 54 3.488 14.149 4.097 1.00 0.00 C ATOM 748 OD1 ASP A 54 3.124 13.456 5.085 1.00 0.00 O ATOM 749 OD2 ASP A 54 4.536 14.848 4.080 1.00 0.00 O ATOM 0 H ASP A 54 4.694 13.211 1.932 1.00 0.00 H new ATOM 0 HA ASP A 54 2.415 11.931 2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.966 14.881 2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.590 14.366 3.089 1.00 0.00 H new ATOM 754 N ASN A 55 2.252 12.933 -0.191 1.00 0.00 N ATOM 755 CA ASN A 55 1.451 13.024 -1.390 1.00 0.00 C ATOM 756 C ASN A 55 1.121 11.654 -1.919 1.00 0.00 C ATOM 757 O ASN A 55 0.506 11.539 -2.976 1.00 0.00 O ATOM 758 CB ASN A 55 2.158 13.819 -2.523 1.00 0.00 C ATOM 759 CG ASN A 55 3.532 13.213 -2.850 1.00 0.00 C ATOM 760 OD1 ASN A 55 4.482 13.421 -2.087 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.617 12.426 -3.959 1.00 0.00 N ATOM 0 H ASN A 55 3.254 13.018 -0.364 1.00 0.00 H new ATOM 0 HA ASN A 55 0.543 13.554 -1.102 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.534 13.817 -3.417 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.279 14.859 -2.221 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.499 11.972 -4.196 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.798 12.291 -4.552 1.00 0.00 H new ATOM 768 N VAL A 56 1.544 10.581 -1.223 1.00 0.00 N ATOM 769 CA VAL A 56 1.240 9.239 -1.630 1.00 0.00 C ATOM 770 C VAL A 56 0.047 8.859 -0.804 1.00 0.00 C ATOM 771 O VAL A 56 0.079 8.962 0.421 1.00 0.00 O ATOM 772 CB VAL A 56 2.386 8.265 -1.399 1.00 0.00 C ATOM 773 CG1 VAL A 56 2.063 6.939 -2.121 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.704 8.908 -1.895 1.00 0.00 C ATOM 0 H VAL A 56 2.101 10.643 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 56 1.055 9.194 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 56 2.511 8.043 -0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.877 6.231 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.138 6.523 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.946 7.125 -3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.530 8.216 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.622 9.132 -2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.889 9.830 -1.343 1.00 0.00 H new ATOM 784 N GLY A 57 -1.050 8.411 -1.449 1.00 0.00 N ATOM 785 CA GLY A 57 -2.234 8.005 -0.740 1.00 0.00 C ATOM 786 C GLY A 57 -2.139 6.525 -0.604 1.00 0.00 C ATOM 787 O GLY A 57 -1.479 5.857 -1.402 1.00 0.00 O ATOM 0 H GLY A 57 -1.119 8.329 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.288 8.485 0.237 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.133 8.290 -1.285 1.00 0.00 H new ATOM 791 N ILE A 58 -2.765 5.995 0.458 1.00 0.00 N ATOM 792 CA ILE A 58 -2.561 4.656 0.914 1.00 0.00 C ATOM 793 C ILE A 58 -3.926 4.199 1.306 1.00 0.00 C ATOM 794 O ILE A 58 -4.906 4.608 0.684 1.00 0.00 O ATOM 795 CB ILE A 58 -1.541 4.613 2.055 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.856 5.607 3.198 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.128 4.888 1.486 1.00 0.00 C ATOM 798 CD1 ILE A 58 -1.020 5.321 4.445 1.00 0.00 C ATOM 0 H ILE A 58 -3.438 6.516 1.020 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.132 3.996 0.160 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.592 3.617 2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.665 6.625 2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.915 5.549 3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.602 4.858 2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.120 4.128 0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.110 5.872 1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.271 6.041 5.224 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.231 4.313 4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.039 5.405 4.200 1.00 0.00 H new ATOM 810 N ILE A 59 -4.048 3.321 2.334 1.00 0.00 N ATOM 811 CA ILE A 59 -5.344 2.936 2.840 1.00 0.00 C ATOM 812 C ILE A 59 -5.840 4.135 3.585 1.00 0.00 C ATOM 813 O ILE A 59 -5.101 4.787 4.319 1.00 0.00 O ATOM 814 CB ILE A 59 -5.442 1.739 3.782 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.362 0.676 3.547 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.864 1.143 3.677 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.303 0.063 2.156 1.00 0.00 C ATOM 0 H ILE A 59 -3.259 2.883 2.809 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.915 2.613 1.970 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.259 2.095 4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.392 1.122 3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.512 -0.128 4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.950 0.286 4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.597 1.898 3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.050 0.824 2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.500 -0.673 2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.252 -0.424 1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.114 0.846 1.421 1.00 0.00 H new ATOM 829 N VAL A 60 -7.110 4.453 3.356 1.00 0.00 N ATOM 830 CA VAL A 60 -7.807 5.571 3.864 1.00 0.00 C ATOM 831 C VAL A 60 -9.027 4.774 4.203 1.00 0.00 C ATOM 832 O VAL A 60 -9.265 3.759 3.537 1.00 0.00 O ATOM 833 CB VAL A 60 -8.072 6.612 2.779 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.026 7.713 3.275 1.00 0.00 C ATOM 835 CG2 VAL A 60 -6.723 7.197 2.301 1.00 0.00 C ATOM 0 H VAL A 60 -7.702 3.874 2.761 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.346 6.169 4.650 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.569 6.132 1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.192 8.437 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.977 7.267 3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.585 8.216 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.904 7.942 1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.211 7.665 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.102 6.397 1.898 1.00 0.00 H new