USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 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+ 175:sc= -0.226 (180deg=-0.252) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.276 X(o=0.28,f=0) USER MOD Single : A 11 ASN : amide:sc= 0.113 K(o=0.11,f=-1.6) USER MOD Single : A 12 CYS SG : rot 180:sc= 0.0271 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.16) USER MOD Single : A 20 SER OG : rot 72:sc= 1.2 USER MOD Single : A 21 SER OG : rot 180:sc= 0.11 USER MOD Single : A 25 THR OG1 : rot 50:sc= 1.25 USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0183) USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0224) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.18 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.515 K(o=-0.52,f=0.034) USER MOD Single : A 40 LYS NZ :NH3+ -114:sc= 0.226 (180deg=-0.0933) USER MOD Single : A 43 HIS : no HD1:sc= -0.739 X(o=-0.74,f=-1.1) USER MOD Single : A 50 ASN : amide:sc= 1.65 K(o=1.7,f=-4.4!) USER MOD Single : A 55 ASN : amide:sc= 0.19 K(o=0.19,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.816 11.752 5.428 1.00 0.00 N ATOM 2 CA VAL A 1 7.200 10.528 4.865 1.00 0.00 C ATOM 3 C VAL A 1 6.023 10.096 5.700 1.00 0.00 C ATOM 4 O VAL A 1 5.814 10.572 6.817 1.00 0.00 O ATOM 5 CB VAL A 1 8.218 9.377 4.781 1.00 0.00 C ATOM 6 CG1 VAL A 1 9.299 9.671 3.719 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.851 9.051 6.152 1.00 0.00 C ATOM 0 H1 VAL A 1 8.675 11.987 4.891 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.141 12.541 5.365 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.065 11.588 6.424 1.00 0.00 H new ATOM 0 HA VAL A 1 6.861 10.767 3.857 1.00 0.00 H new ATOM 0 HB VAL A 1 7.670 8.488 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 1 10.006 8.842 3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.828 9.792 2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.828 10.587 3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.562 8.232 6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.369 9.932 6.532 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.069 8.759 6.853 1.00 0.00 H new ATOM 19 N ARG A 2 5.244 9.133 5.162 1.00 0.00 N ATOM 20 CA ARG A 2 4.370 8.298 5.945 1.00 0.00 C ATOM 21 C ARG A 2 5.156 7.024 6.069 1.00 0.00 C ATOM 22 O ARG A 2 6.165 6.847 5.392 1.00 0.00 O ATOM 23 CB ARG A 2 3.032 7.859 5.279 1.00 0.00 C ATOM 24 CG ARG A 2 2.078 8.939 4.739 1.00 0.00 C ATOM 25 CD ARG A 2 2.443 9.440 3.331 1.00 0.00 C ATOM 26 NE ARG A 2 1.197 9.684 2.521 1.00 0.00 N ATOM 27 CZ ARG A 2 0.465 10.841 2.559 1.00 0.00 C ATOM 28 NH1 ARG A 2 0.753 11.844 3.439 1.00 0.00 N ATOM 29 NH2 ARG A 2 -0.566 10.996 1.681 1.00 0.00 N ATOM 0 H ARG A 2 5.219 8.929 4.163 1.00 0.00 H new ATOM 0 HA ARG A 2 4.096 8.853 6.842 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.279 7.194 4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.480 7.267 6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.064 8.539 4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.075 9.785 5.426 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.023 10.360 3.404 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.073 8.706 2.829 1.00 0.00 H new ATOM 0 HE ARG A 2 0.877 8.938 1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.531 11.743 4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.190 12.695 3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.781 10.257 1.011 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.123 11.851 1.694 1.00 0.00 H new ATOM 43 N ASP A 3 4.656 6.062 6.862 1.00 0.00 N ATOM 44 CA ASP A 3 4.989 4.675 6.679 1.00 0.00 C ATOM 45 C ASP A 3 3.585 4.257 6.424 1.00 0.00 C ATOM 46 O ASP A 3 2.674 4.938 6.908 1.00 0.00 O ATOM 47 CB ASP A 3 5.514 3.898 7.914 1.00 0.00 C ATOM 48 CG ASP A 3 6.875 4.399 8.401 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.468 5.312 7.770 1.00 0.00 O ATOM 50 OD2 ASP A 3 7.340 3.853 9.437 1.00 0.00 O ATOM 0 H ASP A 3 4.017 6.241 7.636 1.00 0.00 H new ATOM 0 HA ASP A 3 5.789 4.501 5.960 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.790 3.983 8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.590 2.840 7.665 1.00 0.00 H new ATOM 55 N GLY A 4 3.335 3.208 5.628 1.00 0.00 N ATOM 56 CA GLY A 4 1.962 2.964 5.300 1.00 0.00 C ATOM 57 C GLY A 4 1.824 1.574 4.839 1.00 0.00 C ATOM 58 O GLY A 4 2.802 0.922 4.470 1.00 0.00 O ATOM 0 H GLY A 4 4.023 2.567 5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.330 3.137 6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.631 3.654 4.523 1.00 0.00 H new ATOM 62 N TYR A 5 0.561 1.109 4.795 1.00 0.00 N ATOM 63 CA TYR A 5 0.191 -0.031 4.017 1.00 0.00 C ATOM 64 C TYR A 5 -0.104 0.644 2.714 1.00 0.00 C ATOM 65 O TYR A 5 -0.972 1.513 2.661 1.00 0.00 O ATOM 66 CB TYR A 5 -1.063 -0.759 4.561 1.00 0.00 C ATOM 67 CG TYR A 5 -0.657 -1.919 5.426 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.095 -3.056 4.825 1.00 0.00 C ATOM 69 CD2 TYR A 5 -0.819 -1.899 6.822 1.00 0.00 C ATOM 70 CE1 TYR A 5 0.338 -4.137 5.597 1.00 0.00 C ATOM 71 CE2 TYR A 5 -0.409 -2.992 7.601 1.00 0.00 C ATOM 72 CZ TYR A 5 0.189 -4.106 6.987 1.00 0.00 C ATOM 73 OH TYR A 5 0.682 -5.182 7.760 1.00 0.00 O ATOM 0 H TYR A 5 -0.213 1.531 5.307 1.00 0.00 H new ATOM 0 HA TYR A 5 0.946 -0.817 3.992 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.675 -0.064 5.136 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.676 -1.112 3.731 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.004 -3.096 3.750 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.262 -1.037 7.298 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.787 -4.996 5.121 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.553 -2.977 8.671 1.00 0.00 H new ATOM 0 HH TYR A 5 0.503 -5.012 8.709 1.00 0.00 H new ATOM 83 N ILE A 6 0.678 0.326 1.658 1.00 0.00 N ATOM 84 CA ILE A 6 0.615 1.002 0.393 1.00 0.00 C ATOM 85 C ILE A 6 -0.621 0.478 -0.249 1.00 0.00 C ATOM 86 O ILE A 6 -0.916 -0.730 -0.179 1.00 0.00 O ATOM 87 CB ILE A 6 1.840 0.900 -0.534 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.788 1.924 -1.703 1.00 0.00 C ATOM 89 CG2 ILE A 6 2.068 -0.532 -1.042 1.00 0.00 C ATOM 90 CD1 ILE A 6 3.029 1.901 -2.608 1.00 0.00 C ATOM 0 H ILE A 6 1.372 -0.421 1.686 1.00 0.00 H new ATOM 0 HA ILE A 6 0.604 2.076 0.577 1.00 0.00 H new ATOM 0 HB ILE A 6 2.704 1.163 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.905 1.723 -2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.670 2.926 -1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.943 -0.553 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.230 -1.197 -0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.193 -0.863 -1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.917 2.643 -3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.915 2.132 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.137 0.911 -3.052 1.00 0.00 H new ATOM 102 N ALA A 7 -1.368 1.450 -0.805 1.00 0.00 N ATOM 103 CA ALA A 7 -2.607 1.235 -1.462 1.00 0.00 C ATOM 104 C ALA A 7 -2.512 1.835 -2.818 1.00 0.00 C ATOM 105 O ALA A 7 -1.481 2.361 -3.236 1.00 0.00 O ATOM 106 CB ALA A 7 -3.766 1.980 -0.786 1.00 0.00 C ATOM 0 H ALA A 7 -1.088 2.431 -0.792 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.795 0.161 -1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.691 1.782 -1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.868 1.637 0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.564 3.051 -0.793 1.00 0.00 H new ATOM 112 N GLN A 8 -3.680 1.825 -3.483 1.00 0.00 N ATOM 113 CA GLN A 8 -3.972 2.596 -4.644 1.00 0.00 C ATOM 114 C GLN A 8 -4.776 3.675 -3.985 1.00 0.00 C ATOM 115 O GLN A 8 -5.541 3.322 -3.085 1.00 0.00 O ATOM 116 CB GLN A 8 -4.869 1.817 -5.628 1.00 0.00 C ATOM 117 CG GLN A 8 -4.166 0.551 -6.139 1.00 0.00 C ATOM 118 CD GLN A 8 -5.166 -0.362 -6.844 1.00 0.00 C ATOM 119 OE1 GLN A 8 -5.173 -0.457 -8.075 1.00 0.00 O ATOM 120 NE2 GLN A 8 -6.031 -1.045 -6.036 1.00 0.00 N ATOM 0 H GLN A 8 -4.465 1.243 -3.190 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.106 2.905 -5.229 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.802 1.544 -5.135 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.129 2.457 -6.471 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.365 0.824 -6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.704 0.021 -5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.982 -0.930 -5.024 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.726 -1.670 -6.445 1.00 0.00 H new ATOM 129 N PRO A 9 -4.660 4.946 -4.324 1.00 0.00 N ATOM 130 CA PRO A 9 -4.940 6.033 -3.393 1.00 0.00 C ATOM 131 C PRO A 9 -6.414 6.261 -3.201 1.00 0.00 C ATOM 132 O PRO A 9 -6.790 7.151 -2.445 1.00 0.00 O ATOM 133 CB PRO A 9 -4.314 7.266 -4.073 1.00 0.00 C ATOM 134 CG PRO A 9 -4.203 6.897 -5.555 1.00 0.00 C ATOM 135 CD PRO A 9 -3.907 5.403 -5.490 1.00 0.00 C ATOM 0 HA PRO A 9 -4.542 5.818 -2.401 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.936 8.150 -3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.336 7.494 -3.650 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.125 7.107 -6.098 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.407 7.449 -6.054 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.228 4.892 -6.398 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.840 5.212 -5.377 1.00 0.00 H new ATOM 143 N GLU A 10 -7.286 5.488 -3.874 1.00 0.00 N ATOM 144 CA GLU A 10 -8.682 5.775 -4.029 1.00 0.00 C ATOM 145 C GLU A 10 -9.435 5.041 -2.962 1.00 0.00 C ATOM 146 O GLU A 10 -10.475 4.431 -3.220 1.00 0.00 O ATOM 147 CB GLU A 10 -9.167 5.336 -5.423 1.00 0.00 C ATOM 148 CG GLU A 10 -8.420 6.068 -6.555 1.00 0.00 C ATOM 149 CD GLU A 10 -9.015 5.745 -7.926 1.00 0.00 C ATOM 150 OE1 GLU A 10 -10.090 5.091 -7.985 1.00 0.00 O ATOM 151 OE2 GLU A 10 -8.393 6.165 -8.939 1.00 0.00 O ATOM 0 H GLU A 10 -7.005 4.621 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.854 6.847 -3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.027 4.261 -5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.236 5.528 -5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.463 7.144 -6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.368 5.785 -6.539 1.00 0.00 H new ATOM 158 N ASN A 11 -8.901 5.125 -1.720 1.00 0.00 N ATOM 159 CA ASN A 11 -9.423 4.520 -0.516 1.00 0.00 C ATOM 160 C ASN A 11 -9.314 3.020 -0.657 1.00 0.00 C ATOM 161 O ASN A 11 -10.284 2.304 -0.433 1.00 0.00 O ATOM 162 CB ASN A 11 -10.886 4.989 -0.188 1.00 0.00 C ATOM 163 CG ASN A 11 -11.374 4.695 1.242 1.00 0.00 C ATOM 164 OD1 ASN A 11 -11.507 5.593 2.079 1.00 0.00 O ATOM 165 ND2 ASN A 11 -11.668 3.407 1.544 1.00 0.00 N ATOM 0 H ASN A 11 -8.045 5.652 -1.544 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.831 4.848 0.338 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.951 6.063 -0.361 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.568 4.511 -0.891 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.005 3.166 2.476 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.552 2.679 0.839 1.00 0.00 H new ATOM 172 N CYS A 12 -8.137 2.483 -1.051 1.00 0.00 N ATOM 173 CA CYS A 12 -8.030 1.074 -1.372 1.00 0.00 C ATOM 174 C CYS A 12 -6.903 0.442 -0.626 1.00 0.00 C ATOM 175 O CYS A 12 -6.445 0.969 0.383 1.00 0.00 O ATOM 176 CB CYS A 12 -7.963 0.811 -2.905 1.00 0.00 C ATOM 177 SG CYS A 12 -9.028 -0.544 -3.495 1.00 0.00 S ATOM 0 H CYS A 12 -7.269 3.010 -1.148 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.949 0.592 -1.038 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.240 1.726 -3.429 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.931 0.588 -3.176 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.894 -0.672 -4.782 1.00 0.00 H new ATOM 182 N VAL A 13 -6.453 -0.724 -1.130 1.00 0.00 N ATOM 183 CA VAL A 13 -5.253 -1.413 -0.768 1.00 0.00 C ATOM 184 C VAL A 13 -4.622 -1.549 -2.126 1.00 0.00 C ATOM 185 O VAL A 13 -5.104 -0.975 -3.104 1.00 0.00 O ATOM 186 CB VAL A 13 -5.486 -2.766 -0.102 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.011 -2.533 1.326 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.466 -3.643 -0.905 1.00 0.00 C ATOM 0 H VAL A 13 -6.974 -1.224 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.656 -0.896 -0.017 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.539 -3.305 -0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.181 -3.494 1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.276 -1.963 1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.947 -1.977 1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.603 -4.596 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.426 -3.134 -0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.063 -3.820 -1.902 1.00 0.00 H new ATOM 198 N TYR A 14 -3.531 -2.319 -2.228 1.00 0.00 N ATOM 199 CA TYR A 14 -2.875 -2.665 -3.454 1.00 0.00 C ATOM 200 C TYR A 14 -2.899 -4.123 -3.216 1.00 0.00 C ATOM 201 O TYR A 14 -2.880 -4.503 -2.052 1.00 0.00 O ATOM 202 CB TYR A 14 -1.387 -2.218 -3.500 1.00 0.00 C ATOM 203 CG TYR A 14 -1.058 -1.347 -4.678 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.439 -1.699 -5.986 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.297 -0.184 -4.489 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.105 -0.880 -7.072 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.050 0.633 -5.570 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.358 0.287 -6.864 1.00 0.00 C ATOM 209 OH TYR A 14 -0.001 1.114 -7.949 1.00 0.00 O ATOM 0 H TYR A 14 -3.077 -2.726 -1.410 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.317 -2.246 -4.358 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.149 -1.679 -2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.751 -3.103 -3.524 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.995 -2.610 -6.154 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.026 0.085 -3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.423 -1.148 -8.069 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.631 1.529 -5.407 1.00 0.00 H new ATOM 0 HH TYR A 14 0.515 1.880 -7.621 1.00 0.00 H new ATOM 219 N HIS A 15 -2.952 -4.979 -4.248 1.00 0.00 N ATOM 220 CA HIS A 15 -2.998 -6.394 -4.003 1.00 0.00 C ATOM 221 C HIS A 15 -1.609 -6.887 -4.185 1.00 0.00 C ATOM 222 O HIS A 15 -0.995 -6.693 -5.231 1.00 0.00 O ATOM 223 CB HIS A 15 -3.980 -7.157 -4.911 1.00 0.00 C ATOM 224 CG HIS A 15 -5.398 -6.865 -4.502 1.00 0.00 C ATOM 225 ND1 HIS A 15 -6.492 -7.217 -5.246 1.00 0.00 N ATOM 226 CD2 HIS A 15 -5.860 -6.288 -3.365 1.00 0.00 C ATOM 227 CE1 HIS A 15 -7.582 -6.852 -4.584 1.00 0.00 C ATOM 228 NE2 HIS A 15 -7.227 -6.283 -3.441 1.00 0.00 N ATOM 0 H HIS A 15 -2.963 -4.707 -5.231 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.374 -6.574 -2.996 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.826 -6.867 -5.950 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.788 -8.228 -4.847 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.262 -5.904 -2.552 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.597 -6.996 -4.923 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.863 -5.906 -2.738 1.00 0.00 H new ATOM 237 N CYS A 16 -1.083 -7.526 -3.126 1.00 0.00 N ATOM 238 CA CYS A 16 0.209 -8.132 -3.123 1.00 0.00 C ATOM 239 C CYS A 16 0.029 -9.486 -3.730 1.00 0.00 C ATOM 240 O CYS A 16 -1.038 -10.089 -3.621 1.00 0.00 O ATOM 241 CB CYS A 16 0.763 -8.283 -1.684 1.00 0.00 C ATOM 242 SG CYS A 16 2.483 -8.853 -1.604 1.00 0.00 S ATOM 0 H CYS A 16 -1.577 -7.624 -2.239 1.00 0.00 H new ATOM 0 HA CYS A 16 0.919 -7.517 -3.676 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.687 -7.322 -1.175 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.134 -8.985 -1.136 1.00 0.00 H new ATOM 247 N PHE A 17 1.093 -9.993 -4.374 1.00 0.00 N ATOM 248 CA PHE A 17 1.134 -11.309 -4.928 1.00 0.00 C ATOM 249 C PHE A 17 1.866 -12.036 -3.831 1.00 0.00 C ATOM 250 O PHE A 17 2.988 -11.596 -3.562 1.00 0.00 O ATOM 251 CB PHE A 17 1.960 -11.371 -6.239 1.00 0.00 C ATOM 252 CG PHE A 17 1.452 -10.331 -7.211 1.00 0.00 C ATOM 253 CD1 PHE A 17 0.330 -10.581 -8.020 1.00 0.00 C ATOM 254 CD2 PHE A 17 2.081 -9.071 -7.296 1.00 0.00 C ATOM 255 CE1 PHE A 17 -0.147 -9.599 -8.901 1.00 0.00 C ATOM 256 CE2 PHE A 17 1.595 -8.084 -8.162 1.00 0.00 C ATOM 257 CZ PHE A 17 0.484 -8.352 -8.970 1.00 0.00 C ATOM 0 H PHE A 17 1.956 -9.468 -4.514 1.00 0.00 H new ATOM 0 HA PHE A 17 0.154 -11.704 -5.196 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.014 -11.198 -6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.884 -12.364 -6.682 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.169 -11.537 -7.963 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.948 -8.865 -6.686 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.003 -9.806 -9.527 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.076 -7.118 -8.206 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.114 -7.596 -9.647 1.00 0.00 H new ATOM 267 N PRO A 18 1.331 -13.053 -3.142 1.00 0.00 N ATOM 268 CA PRO A 18 1.899 -13.542 -1.893 1.00 0.00 C ATOM 269 C PRO A 18 3.294 -14.099 -2.061 1.00 0.00 C ATOM 270 O PRO A 18 3.465 -15.210 -2.553 1.00 0.00 O ATOM 271 CB PRO A 18 0.908 -14.606 -1.375 1.00 0.00 C ATOM 272 CG PRO A 18 -0.199 -14.697 -2.436 1.00 0.00 C ATOM 273 CD PRO A 18 -0.093 -13.372 -3.186 1.00 0.00 C ATOM 0 HA PRO A 18 2.022 -12.728 -1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.402 -15.568 -1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.499 -14.321 -0.406 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.047 -15.547 -3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.181 -14.821 -1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -0.450 -13.465 -4.212 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.691 -12.595 -2.710 1.00 0.00 H new ATOM 281 N GLY A 19 4.290 -13.303 -1.644 1.00 0.00 N ATOM 282 CA GLY A 19 5.679 -13.598 -1.790 1.00 0.00 C ATOM 283 C GLY A 19 6.268 -12.281 -1.431 1.00 0.00 C ATOM 284 O GLY A 19 7.095 -12.194 -0.525 1.00 0.00 O ATOM 0 H GLY A 19 4.119 -12.410 -1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.007 -14.396 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.934 -13.905 -2.804 1.00 0.00 H new ATOM 288 N SER A 20 5.770 -11.222 -2.119 1.00 0.00 N ATOM 289 CA SER A 20 6.037 -9.807 -1.935 1.00 0.00 C ATOM 290 C SER A 20 6.277 -9.259 -3.298 1.00 0.00 C ATOM 291 O SER A 20 5.789 -8.181 -3.637 1.00 0.00 O ATOM 292 CB SER A 20 7.230 -9.340 -1.054 1.00 0.00 C ATOM 293 OG SER A 20 7.035 -9.737 0.295 1.00 0.00 O ATOM 0 H SER A 20 5.112 -11.372 -2.884 1.00 0.00 H new ATOM 0 HA SER A 20 5.169 -9.450 -1.380 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.159 -9.765 -1.434 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.329 -8.256 -1.110 1.00 0.00 H new ATOM 0 HG SER A 20 7.164 -10.705 0.373 1.00 0.00 H new ATOM 299 N SER A 21 7.046 -10.005 -4.110 1.00 0.00 N ATOM 300 CA SER A 21 7.904 -9.565 -5.180 1.00 0.00 C ATOM 301 C SER A 21 7.396 -8.446 -6.054 1.00 0.00 C ATOM 302 O SER A 21 8.059 -7.412 -6.176 1.00 0.00 O ATOM 303 CB SER A 21 8.284 -10.787 -6.038 1.00 0.00 C ATOM 304 OG SER A 21 8.505 -11.907 -5.178 1.00 0.00 O ATOM 0 H SER A 21 7.072 -11.020 -4.010 1.00 0.00 H new ATOM 0 HA SER A 21 8.766 -9.117 -4.685 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.489 -11.010 -6.750 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.182 -10.575 -6.619 1.00 0.00 H new ATOM 0 HG SER A 21 8.746 -12.690 -5.716 1.00 0.00 H new ATOM 310 N GLY A 22 6.206 -8.594 -6.665 1.00 0.00 N ATOM 311 CA GLY A 22 5.696 -7.606 -7.597 1.00 0.00 C ATOM 312 C GLY A 22 5.309 -6.331 -6.900 1.00 0.00 C ATOM 313 O GLY A 22 5.484 -5.227 -7.427 1.00 0.00 O ATOM 0 H GLY A 22 5.589 -9.393 -6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.453 -7.393 -8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.830 -8.012 -8.120 1.00 0.00 H new ATOM 317 N CYS A 23 4.791 -6.445 -5.658 1.00 0.00 N ATOM 318 CA CYS A 23 4.312 -5.295 -4.930 1.00 0.00 C ATOM 319 C CYS A 23 5.470 -4.680 -4.201 1.00 0.00 C ATOM 320 O CYS A 23 5.439 -3.510 -3.824 1.00 0.00 O ATOM 321 CB CYS A 23 3.189 -5.629 -3.933 1.00 0.00 C ATOM 322 SG CYS A 23 2.220 -4.147 -3.510 1.00 0.00 S ATOM 0 H CYS A 23 4.702 -7.329 -5.156 1.00 0.00 H new ATOM 0 HA CYS A 23 3.883 -4.601 -5.653 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.532 -6.386 -4.362 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.619 -6.056 -3.027 1.00 0.00 H new ATOM 327 N ASP A 24 6.560 -5.456 -4.030 1.00 0.00 N ATOM 328 CA ASP A 24 7.814 -4.957 -3.529 1.00 0.00 C ATOM 329 C ASP A 24 8.376 -3.996 -4.544 1.00 0.00 C ATOM 330 O ASP A 24 8.786 -2.896 -4.184 1.00 0.00 O ATOM 331 CB ASP A 24 8.831 -6.081 -3.210 1.00 0.00 C ATOM 332 CG ASP A 24 9.954 -5.546 -2.319 1.00 0.00 C ATOM 333 OD1 ASP A 24 9.645 -5.186 -1.151 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.122 -5.488 -2.787 1.00 0.00 O ATOM 0 H ASP A 24 6.573 -6.453 -4.244 1.00 0.00 H new ATOM 0 HA ASP A 24 7.630 -4.452 -2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.325 -6.908 -2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.249 -6.475 -4.136 1.00 0.00 H new ATOM 339 N THR A 25 8.338 -4.334 -5.854 1.00 0.00 N ATOM 340 CA THR A 25 8.719 -3.392 -6.892 1.00 0.00 C ATOM 341 C THR A 25 7.821 -2.168 -6.942 1.00 0.00 C ATOM 342 O THR A 25 8.304 -1.074 -7.234 1.00 0.00 O ATOM 343 CB THR A 25 8.843 -4.024 -8.271 1.00 0.00 C ATOM 344 OG1 THR A 25 7.963 -5.132 -8.426 1.00 0.00 O ATOM 345 CG2 THR A 25 10.289 -4.545 -8.425 1.00 0.00 C ATOM 0 H THR A 25 8.047 -5.249 -6.199 1.00 0.00 H new ATOM 0 HA THR A 25 9.716 -3.059 -6.602 1.00 0.00 H new ATOM 0 HB THR A 25 8.589 -3.273 -9.019 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.059 -4.873 -8.148 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.408 -5.004 -9.406 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.988 -3.714 -8.326 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.494 -5.285 -7.651 1.00 0.00 H new ATOM 353 N LEU A 26 6.508 -2.300 -6.629 1.00 0.00 N ATOM 354 CA LEU A 26 5.614 -1.153 -6.554 1.00 0.00 C ATOM 355 C LEU A 26 6.003 -0.265 -5.403 1.00 0.00 C ATOM 356 O LEU A 26 6.029 0.958 -5.518 1.00 0.00 O ATOM 357 CB LEU A 26 4.134 -1.522 -6.319 1.00 0.00 C ATOM 358 CG LEU A 26 3.445 -2.192 -7.522 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.054 -2.694 -7.108 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.341 -1.245 -8.732 1.00 0.00 C ATOM 0 H LEU A 26 6.060 -3.194 -6.427 1.00 0.00 H new ATOM 0 HA LEU A 26 5.711 -0.664 -7.523 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.071 -2.191 -5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.584 -0.618 -6.059 1.00 0.00 H new ATOM 0 HG LEU A 26 4.060 -3.037 -7.832 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.569 -3.168 -7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.154 -3.418 -6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.450 -1.853 -6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.848 -1.761 -9.556 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.761 -0.365 -8.456 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.340 -0.939 -9.041 1.00 0.00 H new ATOM 372 N CYS A 27 6.349 -0.884 -4.259 1.00 0.00 N ATOM 373 CA CYS A 27 6.864 -0.196 -3.098 1.00 0.00 C ATOM 374 C CYS A 27 8.096 0.601 -3.463 1.00 0.00 C ATOM 375 O CYS A 27 8.154 1.804 -3.198 1.00 0.00 O ATOM 376 CB CYS A 27 7.172 -1.182 -1.937 1.00 0.00 C ATOM 377 SG CYS A 27 7.407 -0.405 -0.317 1.00 0.00 S ATOM 0 H CYS A 27 6.271 -1.893 -4.130 1.00 0.00 H new ATOM 0 HA CYS A 27 6.093 0.490 -2.748 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.356 -1.900 -1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.071 -1.745 -2.187 1.00 0.00 H new ATOM 382 N LYS A 28 9.084 -0.037 -4.143 1.00 0.00 N ATOM 383 CA LYS A 28 10.322 0.601 -4.547 1.00 0.00 C ATOM 384 C LYS A 28 10.074 1.820 -5.401 1.00 0.00 C ATOM 385 O LYS A 28 10.584 2.898 -5.097 1.00 0.00 O ATOM 386 CB LYS A 28 11.287 -0.335 -5.329 1.00 0.00 C ATOM 387 CG LYS A 28 11.841 -1.528 -4.523 1.00 0.00 C ATOM 388 CD LYS A 28 12.727 -1.163 -3.316 1.00 0.00 C ATOM 389 CE LYS A 28 14.053 -0.464 -3.650 1.00 0.00 C ATOM 390 NZ LYS A 28 14.936 -1.338 -4.459 1.00 0.00 N ATOM 0 H LYS A 28 9.023 -1.017 -4.419 1.00 0.00 H new ATOM 0 HA LYS A 28 10.796 0.880 -3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.764 -0.720 -6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.126 0.257 -5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.001 -2.124 -4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.419 -2.161 -5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.154 -0.517 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.948 -2.075 -2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.853 0.458 -4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.561 -0.185 -2.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.843 -0.857 -4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.105 -2.229 -3.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.481 -1.542 -5.371 1.00 0.00 H new ATOM 404 N GLU A 29 9.261 1.700 -6.477 1.00 0.00 N ATOM 405 CA GLU A 29 9.079 2.783 -7.425 1.00 0.00 C ATOM 406 C GLU A 29 8.312 3.947 -6.849 1.00 0.00 C ATOM 407 O GLU A 29 8.395 5.054 -7.379 1.00 0.00 O ATOM 408 CB GLU A 29 8.407 2.352 -8.752 1.00 0.00 C ATOM 409 CG GLU A 29 6.964 1.848 -8.611 1.00 0.00 C ATOM 410 CD GLU A 29 6.417 1.474 -9.985 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.242 2.400 -10.822 1.00 0.00 O ATOM 412 OE2 GLU A 29 6.167 0.263 -10.218 1.00 0.00 O ATOM 0 H GLU A 29 8.729 0.858 -6.695 1.00 0.00 H new ATOM 0 HA GLU A 29 10.098 3.099 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.415 3.199 -9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.008 1.566 -9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.933 0.983 -7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.341 2.619 -8.158 1.00 0.00 H new ATOM 419 N LYS A 30 7.559 3.735 -5.744 1.00 0.00 N ATOM 420 CA LYS A 30 6.833 4.798 -5.095 1.00 0.00 C ATOM 421 C LYS A 30 7.641 5.335 -3.946 1.00 0.00 C ATOM 422 O LYS A 30 7.215 6.277 -3.282 1.00 0.00 O ATOM 423 CB LYS A 30 5.447 4.352 -4.585 1.00 0.00 C ATOM 424 CG LYS A 30 4.494 3.898 -5.707 1.00 0.00 C ATOM 425 CD LYS A 30 4.113 4.998 -6.718 1.00 0.00 C ATOM 426 CE LYS A 30 3.013 4.551 -7.694 1.00 0.00 C ATOM 427 NZ LYS A 30 3.438 3.375 -8.492 1.00 0.00 N ATOM 0 H LYS A 30 7.453 2.824 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 30 6.668 5.574 -5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.576 3.534 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.987 5.176 -4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.959 3.073 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.582 3.509 -5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.776 5.882 -6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.998 5.289 -7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.109 4.306 -7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.762 5.374 -8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.700 3.142 -9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.324 3.595 -8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.588 2.563 -7.860 1.00 0.00 H new ATOM 441 N GLY A 31 8.855 4.793 -3.702 1.00 0.00 N ATOM 442 CA GLY A 31 9.792 5.402 -2.786 1.00 0.00 C ATOM 443 C GLY A 31 9.708 4.790 -1.427 1.00 0.00 C ATOM 444 O GLY A 31 10.138 5.390 -0.443 1.00 0.00 O ATOM 0 H GLY A 31 9.191 3.934 -4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.805 5.291 -3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.592 6.471 -2.717 1.00 0.00 H new ATOM 448 N GLY A 32 9.172 3.556 -1.335 1.00 0.00 N ATOM 449 CA GLY A 32 9.245 2.786 -0.128 1.00 0.00 C ATOM 450 C GLY A 32 10.516 2.021 -0.193 1.00 0.00 C ATOM 451 O GLY A 32 10.780 1.303 -1.154 1.00 0.00 O ATOM 0 H GLY A 32 8.686 3.090 -2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.227 3.435 0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.391 2.114 -0.044 1.00 0.00 H new ATOM 455 N THR A 33 11.367 2.191 0.831 1.00 0.00 N ATOM 456 CA THR A 33 12.694 1.661 0.890 1.00 0.00 C ATOM 457 C THR A 33 12.607 0.197 1.222 1.00 0.00 C ATOM 458 O THR A 33 13.120 -0.657 0.499 1.00 0.00 O ATOM 459 CB THR A 33 13.442 2.420 1.977 1.00 0.00 C ATOM 460 OG1 THR A 33 12.523 2.885 2.973 1.00 0.00 O ATOM 461 CG2 THR A 33 14.121 3.636 1.317 1.00 0.00 C ATOM 0 H THR A 33 11.117 2.726 1.663 1.00 0.00 H new ATOM 0 HA THR A 33 13.219 1.772 -0.059 1.00 0.00 H new ATOM 0 HB THR A 33 14.176 1.768 2.451 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.013 3.371 3.669 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.667 4.202 2.072 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.814 3.293 0.549 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.363 4.274 0.863 1.00 0.00 H new ATOM 469 N SER A 34 11.947 -0.096 2.356 1.00 0.00 N ATOM 470 CA SER A 34 11.725 -1.431 2.827 1.00 0.00 C ATOM 471 C SER A 34 10.253 -1.598 2.743 1.00 0.00 C ATOM 472 O SER A 34 9.509 -0.611 2.771 1.00 0.00 O ATOM 473 CB SER A 34 12.142 -1.627 4.301 1.00 0.00 C ATOM 474 OG SER A 34 13.399 -1.007 4.533 1.00 0.00 O ATOM 0 H SER A 34 11.554 0.619 2.967 1.00 0.00 H new ATOM 0 HA SER A 34 12.308 -2.142 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.388 -1.199 4.962 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.203 -2.690 4.533 1.00 0.00 H new ATOM 0 HG SER A 34 13.658 -1.133 5.470 1.00 0.00 H new ATOM 480 N GLY A 35 9.788 -2.853 2.659 1.00 0.00 N ATOM 481 CA GLY A 35 8.406 -3.124 2.516 1.00 0.00 C ATOM 482 C GLY A 35 8.404 -4.580 2.772 1.00 0.00 C ATOM 483 O GLY A 35 9.471 -5.164 2.980 1.00 0.00 O ATOM 0 H GLY A 35 10.380 -3.683 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.797 -2.574 3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.033 -2.875 1.523 1.00 0.00 H new ATOM 487 N HIS A 36 7.204 -5.173 2.760 1.00 0.00 N ATOM 488 CA HIS A 36 6.955 -6.573 2.856 1.00 0.00 C ATOM 489 C HIS A 36 5.492 -6.490 2.571 1.00 0.00 C ATOM 490 O HIS A 36 5.006 -5.404 2.242 1.00 0.00 O ATOM 491 CB HIS A 36 7.239 -7.248 4.231 1.00 0.00 C ATOM 492 CG HIS A 36 6.587 -6.612 5.433 1.00 0.00 C ATOM 493 ND1 HIS A 36 6.997 -5.419 5.968 1.00 0.00 N ATOM 494 CD2 HIS A 36 5.571 -7.064 6.207 1.00 0.00 C ATOM 495 CE1 HIS A 36 6.250 -5.158 7.033 1.00 0.00 C ATOM 496 NE2 HIS A 36 5.377 -6.141 7.199 1.00 0.00 N ATOM 0 H HIS A 36 6.343 -4.633 2.677 1.00 0.00 H new ATOM 0 HA HIS A 36 7.590 -7.189 2.220 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.915 -8.287 4.176 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.317 -7.258 4.391 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.018 -7.981 6.067 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.339 -4.285 7.663 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.679 -6.200 7.940 1.00 0.00 H new ATOM 505 N CYS A 37 4.736 -7.589 2.686 1.00 0.00 N ATOM 506 CA CYS A 37 3.305 -7.545 2.531 1.00 0.00 C ATOM 507 C CYS A 37 2.826 -8.092 3.820 1.00 0.00 C ATOM 508 O CYS A 37 3.592 -8.756 4.518 1.00 0.00 O ATOM 509 CB CYS A 37 2.778 -8.386 1.353 1.00 0.00 C ATOM 510 SG CYS A 37 3.309 -7.645 -0.217 1.00 0.00 S ATOM 0 H CYS A 37 5.109 -8.517 2.887 1.00 0.00 H new ATOM 0 HA CYS A 37 2.956 -6.538 2.303 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.151 -9.408 1.428 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.690 -8.440 1.391 1.00 0.00 H new ATOM 515 N GLY A 38 1.570 -7.805 4.197 1.00 0.00 N ATOM 516 CA GLY A 38 1.083 -8.209 5.478 1.00 0.00 C ATOM 517 C GLY A 38 -0.312 -7.716 5.411 1.00 0.00 C ATOM 518 O GLY A 38 -0.672 -7.070 4.424 1.00 0.00 O ATOM 0 H GLY A 38 0.897 -7.298 3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.134 -9.289 5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.643 -7.755 6.295 1.00 0.00 H new ATOM 522 N PHE A 39 -1.127 -8.030 6.434 1.00 0.00 N ATOM 523 CA PHE A 39 -2.502 -7.641 6.460 1.00 0.00 C ATOM 524 C PHE A 39 -2.746 -7.403 7.910 1.00 0.00 C ATOM 525 O PHE A 39 -2.487 -8.287 8.725 1.00 0.00 O ATOM 526 CB PHE A 39 -3.456 -8.764 5.952 1.00 0.00 C ATOM 527 CG PHE A 39 -4.931 -8.500 6.190 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.688 -7.699 5.321 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.568 -9.062 7.311 1.00 0.00 C ATOM 530 CE1 PHE A 39 -7.061 -7.526 5.527 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.937 -8.882 7.526 1.00 0.00 C ATOM 532 CZ PHE A 39 -7.689 -8.128 6.619 1.00 0.00 C ATOM 0 H PHE A 39 -0.828 -8.560 7.253 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.693 -6.785 5.813 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.294 -8.903 4.883 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.185 -9.700 6.440 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.206 -7.212 4.486 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.990 -9.641 8.016 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.637 -6.925 4.839 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.413 -9.323 8.389 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.753 -8.012 6.763 1.00 0.00 H new ATOM 542 N LYS A 40 -3.286 -6.212 8.207 1.00 0.00 N ATOM 543 CA LYS A 40 -4.092 -5.912 9.356 1.00 0.00 C ATOM 544 C LYS A 40 -4.787 -4.729 8.768 1.00 0.00 C ATOM 545 O LYS A 40 -4.331 -3.599 8.921 1.00 0.00 O ATOM 546 CB LYS A 40 -3.351 -5.483 10.653 1.00 0.00 C ATOM 547 CG LYS A 40 -2.704 -6.639 11.443 1.00 0.00 C ATOM 548 CD LYS A 40 -3.721 -7.621 12.064 1.00 0.00 C ATOM 549 CE LYS A 40 -3.098 -8.911 12.622 1.00 0.00 C ATOM 550 NZ LYS A 40 -2.550 -9.756 11.532 1.00 0.00 N ATOM 0 H LYS A 40 -3.153 -5.399 7.605 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.663 -6.769 9.715 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.576 -4.763 10.390 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.057 -4.968 11.304 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.039 -7.192 10.779 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.086 -6.221 12.238 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.255 -7.113 12.867 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.460 -7.886 11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.304 -8.660 13.326 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.851 -9.471 13.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.096 -10.639 11.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.616 -9.244 10.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.554 -9.978 11.732 1.00 0.00 H new ATOM 564 N VAL A 41 -5.848 -4.983 7.976 1.00 0.00 N ATOM 565 CA VAL A 41 -6.498 -3.989 7.166 1.00 0.00 C ATOM 566 C VAL A 41 -7.926 -4.449 7.297 1.00 0.00 C ATOM 567 O VAL A 41 -8.177 -5.435 7.992 1.00 0.00 O ATOM 568 CB VAL A 41 -6.048 -3.973 5.692 1.00 0.00 C ATOM 569 CG1 VAL A 41 -6.266 -2.577 5.081 1.00 0.00 C ATOM 570 CG2 VAL A 41 -4.553 -4.339 5.556 1.00 0.00 C ATOM 0 H VAL A 41 -6.268 -5.909 7.895 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.287 -2.968 7.483 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.648 -4.714 5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.944 -2.581 4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.324 -2.318 5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.685 -1.841 5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.268 -4.319 4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.950 -3.619 6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.385 -5.338 5.958 1.00 0.00 H new ATOM 580 N GLY A 42 -8.886 -3.778 6.628 1.00 0.00 N ATOM 581 CA GLY A 42 -10.274 -4.176 6.643 1.00 0.00 C ATOM 582 C GLY A 42 -10.790 -4.108 5.241 1.00 0.00 C ATOM 583 O GLY A 42 -11.976 -3.896 5.009 1.00 0.00 O ATOM 0 H GLY A 42 -8.701 -2.946 6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.376 -5.187 7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.852 -3.520 7.294 1.00 0.00 H new ATOM 587 N HIS A 43 -9.891 -4.272 4.252 1.00 0.00 N ATOM 588 CA HIS A 43 -10.252 -4.368 2.861 1.00 0.00 C ATOM 589 C HIS A 43 -9.833 -5.752 2.463 1.00 0.00 C ATOM 590 O HIS A 43 -10.656 -6.652 2.324 1.00 0.00 O ATOM 591 CB HIS A 43 -9.523 -3.338 1.960 1.00 0.00 C ATOM 592 CG HIS A 43 -10.087 -1.943 2.010 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.358 -0.852 1.620 1.00 0.00 N ATOM 594 CD2 HIS A 43 -11.349 -1.511 2.244 1.00 0.00 C ATOM 595 CE1 HIS A 43 -10.148 0.209 1.635 1.00 0.00 C ATOM 596 NE2 HIS A 43 -11.365 -0.161 2.008 1.00 0.00 N ATOM 0 H HIS A 43 -8.887 -4.340 4.419 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.315 -4.164 2.734 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.473 -3.301 2.251 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.556 -3.691 0.929 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -12.186 -2.117 2.558 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.849 1.216 1.384 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -12.174 0.453 2.103 1.00 0.00 H new ATOM 605 N GLY A 44 -8.522 -5.980 2.280 1.00 0.00 N ATOM 606 CA GLY A 44 -8.036 -7.236 1.813 1.00 0.00 C ATOM 607 C GLY A 44 -6.591 -6.990 2.003 1.00 0.00 C ATOM 608 O GLY A 44 -6.239 -5.985 2.628 1.00 0.00 O ATOM 0 H GLY A 44 -7.794 -5.288 2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.404 -8.078 2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.300 -7.433 0.774 1.00 0.00 H new ATOM 612 N LEU A 45 -5.735 -7.883 1.464 1.00 0.00 N ATOM 613 CA LEU A 45 -4.298 -7.802 1.598 1.00 0.00 C ATOM 614 C LEU A 45 -3.756 -6.580 0.898 1.00 0.00 C ATOM 615 O LEU A 45 -4.337 -6.119 -0.085 1.00 0.00 O ATOM 616 CB LEU A 45 -3.579 -9.149 1.278 1.00 0.00 C ATOM 617 CG LEU A 45 -2.794 -9.295 -0.045 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.964 -10.594 -0.043 1.00 0.00 C ATOM 619 CD2 LEU A 45 -3.714 -9.276 -1.284 1.00 0.00 C ATOM 0 H LEU A 45 -6.046 -8.687 0.918 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.058 -7.651 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.885 -9.351 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.333 -9.935 1.299 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.131 -8.432 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.419 -10.679 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.257 -10.573 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.629 -11.450 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.112 -9.382 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.424 -10.101 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.257 -8.332 -1.319 1.00 0.00 H new ATOM 631 N ALA A 46 -2.663 -6.006 1.452 1.00 0.00 N ATOM 632 CA ALA A 46 -2.166 -4.699 1.123 1.00 0.00 C ATOM 633 C ALA A 46 -0.697 -4.913 1.146 1.00 0.00 C ATOM 634 O ALA A 46 -0.286 -6.016 1.512 1.00 0.00 O ATOM 635 CB ALA A 46 -2.540 -3.638 2.168 1.00 0.00 C ATOM 0 H ALA A 46 -2.101 -6.476 2.162 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.573 -4.330 0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.137 -2.671 1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.625 -3.571 2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.123 -3.918 3.136 1.00 0.00 H new ATOM 641 N CYS A 47 0.139 -3.902 0.790 1.00 0.00 N ATOM 642 CA CYS A 47 1.574 -4.158 0.857 1.00 0.00 C ATOM 643 C CYS A 47 2.086 -3.148 1.826 1.00 0.00 C ATOM 644 O CYS A 47 1.429 -2.136 2.002 1.00 0.00 O ATOM 645 CB CYS A 47 2.303 -4.088 -0.503 1.00 0.00 C ATOM 646 SG CYS A 47 1.230 -4.684 -1.845 1.00 0.00 S ATOM 0 H CYS A 47 -0.141 -2.972 0.477 1.00 0.00 H new ATOM 0 HA CYS A 47 1.766 -5.184 1.172 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.608 -3.061 -0.704 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.212 -4.689 -0.464 1.00 0.00 H new ATOM 651 N TRP A 48 3.228 -3.371 2.508 1.00 0.00 N ATOM 652 CA TRP A 48 3.735 -2.433 3.490 1.00 0.00 C ATOM 653 C TRP A 48 4.831 -1.715 2.783 1.00 0.00 C ATOM 654 O TRP A 48 5.504 -2.307 1.939 1.00 0.00 O ATOM 655 CB TRP A 48 4.334 -3.114 4.764 1.00 0.00 C ATOM 656 CG TRP A 48 4.977 -2.206 5.826 1.00 0.00 C ATOM 657 CD1 TRP A 48 6.308 -1.998 6.100 1.00 0.00 C ATOM 658 CD2 TRP A 48 4.248 -1.374 6.750 1.00 0.00 C ATOM 659 NE1 TRP A 48 6.450 -1.116 7.148 1.00 0.00 N ATOM 660 CE2 TRP A 48 5.201 -0.698 7.546 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.886 -1.168 6.936 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.803 0.206 8.526 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.484 -0.261 7.928 1.00 0.00 C ATOM 664 CH2 TRP A 48 3.431 0.420 8.709 1.00 0.00 C ATOM 0 H TRP A 48 3.808 -4.201 2.385 1.00 0.00 H new ATOM 0 HA TRP A 48 2.923 -1.799 3.846 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.538 -3.682 5.246 1.00 0.00 H new ATOM 0 HB3 TRP A 48 5.086 -3.833 4.438 1.00 0.00 H new ATOM 0 HD1 TRP A 48 7.126 -2.461 5.569 1.00 0.00 H new ATOM 0 HE1 TRP A 48 7.335 -0.821 7.561 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.158 -1.691 6.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.532 0.728 9.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.431 -0.084 8.093 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.097 1.119 9.462 1.00 0.00 H new ATOM 675 N CYS A 49 5.046 -0.436 3.145 1.00 0.00 N ATOM 676 CA CYS A 49 6.193 0.315 2.748 1.00 0.00 C ATOM 677 C CYS A 49 6.519 1.073 3.992 1.00 0.00 C ATOM 678 O CYS A 49 5.612 1.509 4.704 1.00 0.00 O ATOM 679 CB CYS A 49 5.910 1.322 1.623 1.00 0.00 C ATOM 680 SG CYS A 49 5.632 0.510 0.027 1.00 0.00 S ATOM 0 H CYS A 49 4.399 0.090 3.733 1.00 0.00 H new ATOM 0 HA CYS A 49 6.978 -0.335 2.361 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.034 1.917 1.883 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.750 2.012 1.536 1.00 0.00 H new ATOM 685 N ASN A 50 7.828 1.219 4.299 1.00 0.00 N ATOM 686 CA ASN A 50 8.271 1.734 5.579 1.00 0.00 C ATOM 687 C ASN A 50 8.794 3.139 5.420 1.00 0.00 C ATOM 688 O ASN A 50 9.521 3.653 6.270 1.00 0.00 O ATOM 689 CB ASN A 50 9.369 0.836 6.210 1.00 0.00 C ATOM 690 CG ASN A 50 9.241 0.821 7.740 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.766 -0.179 8.294 1.00 0.00 O ATOM 692 ND2 ASN A 50 9.634 1.937 8.411 1.00 0.00 N ATOM 0 H ASN A 50 8.587 0.981 3.661 1.00 0.00 H new ATOM 0 HA ASN A 50 7.411 1.736 6.248 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.283 -0.179 5.822 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.355 1.204 5.926 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.544 1.980 9.426 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.019 2.731 7.899 1.00 0.00 H new ATOM 699 N ALA A 51 8.418 3.796 4.317 1.00 0.00 N ATOM 700 CA ALA A 51 8.607 5.179 4.043 1.00 0.00 C ATOM 701 C ALA A 51 7.670 5.174 2.891 1.00 0.00 C ATOM 702 O ALA A 51 7.610 4.151 2.211 1.00 0.00 O ATOM 703 CB ALA A 51 10.002 5.574 3.514 1.00 0.00 C ATOM 0 H ALA A 51 7.941 3.318 3.553 1.00 0.00 H new ATOM 0 HA ALA A 51 8.478 5.843 4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.034 6.649 3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.760 5.303 4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.199 5.049 2.579 1.00 0.00 H new ATOM 709 N LEU A 52 6.907 6.243 2.664 1.00 0.00 N ATOM 710 CA LEU A 52 6.413 6.586 1.365 1.00 0.00 C ATOM 711 C LEU A 52 6.336 8.061 1.524 1.00 0.00 C ATOM 712 O LEU A 52 5.994 8.501 2.622 1.00 0.00 O ATOM 713 CB LEU A 52 4.996 6.089 1.004 1.00 0.00 C ATOM 714 CG LEU A 52 4.960 4.630 0.512 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.526 4.095 0.477 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.669 4.422 -0.842 1.00 0.00 C ATOM 0 H LEU A 52 6.621 6.892 3.397 1.00 0.00 H new ATOM 0 HA LEU A 52 7.038 6.154 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.353 6.184 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.580 6.735 0.231 1.00 0.00 H new ATOM 0 HG LEU A 52 5.528 4.050 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.531 3.063 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.098 4.135 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.926 4.705 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.606 3.372 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.187 5.036 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.716 4.711 -0.753 1.00 0.00 H new ATOM 728 N PRO A 53 6.648 8.872 0.529 1.00 0.00 N ATOM 729 CA PRO A 53 6.476 10.303 0.620 1.00 0.00 C ATOM 730 C PRO A 53 5.012 10.658 0.520 1.00 0.00 C ATOM 731 O PRO A 53 4.165 9.806 0.256 1.00 0.00 O ATOM 732 CB PRO A 53 7.296 10.874 -0.551 1.00 0.00 C ATOM 733 CG PRO A 53 7.491 9.722 -1.550 1.00 0.00 C ATOM 734 CD PRO A 53 7.267 8.450 -0.730 1.00 0.00 C ATOM 0 HA PRO A 53 6.816 10.714 1.571 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.775 11.709 -1.019 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.257 11.253 -0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.782 9.790 -2.375 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.490 9.741 -1.985 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.623 7.752 -1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.210 7.936 -0.546 1.00 0.00 H new ATOM 742 N ASP A 54 4.699 11.941 0.754 1.00 0.00 N ATOM 743 CA ASP A 54 3.359 12.424 0.978 1.00 0.00 C ATOM 744 C ASP A 54 2.509 12.517 -0.265 1.00 0.00 C ATOM 745 O ASP A 54 1.334 12.871 -0.193 1.00 0.00 O ATOM 746 CB ASP A 54 3.385 13.832 1.612 1.00 0.00 C ATOM 747 CG ASP A 54 4.058 13.783 2.989 1.00 0.00 C ATOM 748 OD1 ASP A 54 5.316 13.717 3.035 1.00 0.00 O ATOM 749 OD2 ASP A 54 3.320 13.806 4.009 1.00 0.00 O ATOM 0 H ASP A 54 5.402 12.679 0.790 1.00 0.00 H new ATOM 0 HA ASP A 54 2.914 11.681 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.923 14.521 0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.368 14.213 1.710 1.00 0.00 H new ATOM 754 N ASN A 55 3.076 12.190 -1.442 1.00 0.00 N ATOM 755 CA ASN A 55 2.364 12.221 -2.700 1.00 0.00 C ATOM 756 C ASN A 55 1.767 10.867 -2.975 1.00 0.00 C ATOM 757 O ASN A 55 1.017 10.703 -3.934 1.00 0.00 O ATOM 758 CB ASN A 55 3.265 12.628 -3.907 1.00 0.00 C ATOM 759 CG ASN A 55 4.458 11.673 -4.085 1.00 0.00 C ATOM 760 OD1 ASN A 55 5.249 11.508 -3.150 1.00 0.00 O ATOM 761 ND2 ASN A 55 4.576 11.018 -5.275 1.00 0.00 N ATOM 0 H ASN A 55 4.049 11.897 -1.530 1.00 0.00 H new ATOM 0 HA ASN A 55 1.589 12.981 -2.601 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.668 12.635 -4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.633 13.643 -3.759 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.341 10.360 -5.421 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.899 11.186 -6.019 1.00 0.00 H new ATOM 768 N VAL A 56 2.101 9.852 -2.154 1.00 0.00 N ATOM 769 CA VAL A 56 1.679 8.503 -2.391 1.00 0.00 C ATOM 770 C VAL A 56 0.540 8.317 -1.447 1.00 0.00 C ATOM 771 O VAL A 56 0.664 8.632 -0.265 1.00 0.00 O ATOM 772 CB VAL A 56 2.774 7.486 -2.114 1.00 0.00 C ATOM 773 CG1 VAL A 56 2.427 6.161 -2.825 1.00 0.00 C ATOM 774 CG2 VAL A 56 4.118 8.084 -2.589 1.00 0.00 C ATOM 0 H VAL A 56 2.671 9.968 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 56 1.412 8.346 -3.436 1.00 0.00 H new ATOM 0 HB VAL A 56 2.859 7.265 -1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.209 5.428 -2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.475 5.785 -2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.351 6.333 -3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.920 7.371 -2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.065 8.296 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.318 9.007 -2.045 1.00 0.00 H new ATOM 784 N GLY A 57 -0.611 7.821 -1.932 1.00 0.00 N ATOM 785 CA GLY A 57 -1.758 7.642 -1.082 1.00 0.00 C ATOM 786 C GLY A 57 -1.763 6.209 -0.692 1.00 0.00 C ATOM 787 O GLY A 57 -1.117 5.376 -1.331 1.00 0.00 O ATOM 0 H GLY A 57 -0.753 7.544 -2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.696 8.285 -0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.676 7.906 -1.606 1.00 0.00 H new ATOM 791 N ILE A 58 -2.478 5.899 0.403 1.00 0.00 N ATOM 792 CA ILE A 58 -2.366 4.656 1.097 1.00 0.00 C ATOM 793 C ILE A 58 -3.757 4.408 1.600 1.00 0.00 C ATOM 794 O ILE A 58 -4.696 5.019 1.085 1.00 0.00 O ATOM 795 CB ILE A 58 -1.325 4.707 2.213 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.570 5.853 3.218 1.00 0.00 C ATOM 797 CG2 ILE A 58 0.081 4.831 1.578 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.515 5.863 4.322 1.00 0.00 C ATOM 0 H ILE A 58 -3.157 6.536 0.819 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.010 3.846 0.460 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.405 3.784 2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.558 6.808 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.560 5.745 3.660 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.834 4.868 2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.268 3.969 0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.132 5.743 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.718 6.682 5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.546 4.917 4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.473 5.997 3.880 1.00 0.00 H new ATOM 810 N ILE A 59 -3.925 3.497 2.597 1.00 0.00 N ATOM 811 CA ILE A 59 -5.216 3.105 3.131 1.00 0.00 C ATOM 812 C ILE A 59 -5.873 4.308 3.778 1.00 0.00 C ATOM 813 O ILE A 59 -5.205 5.084 4.460 1.00 0.00 O ATOM 814 CB ILE A 59 -5.176 1.981 4.177 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.041 0.947 3.981 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.561 1.292 4.243 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.001 0.230 2.630 1.00 0.00 C ATOM 0 H ILE A 59 -3.143 3.020 3.044 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.773 2.721 2.276 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.943 2.456 5.130 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.087 1.454 4.127 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.125 0.194 4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.535 0.494 4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.318 2.024 4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.806 0.873 3.267 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.164 -0.468 2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.932 -0.316 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.878 0.963 1.833 1.00 0.00 H new ATOM 829 N VAL A 60 -7.194 4.493 3.547 1.00 0.00 N ATOM 830 CA VAL A 60 -7.967 5.573 4.109 1.00 0.00 C ATOM 831 C VAL A 60 -9.013 4.865 4.949 1.00 0.00 C ATOM 832 O VAL A 60 -8.741 4.522 6.097 1.00 0.00 O ATOM 833 CB VAL A 60 -8.522 6.493 3.015 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.310 7.682 3.609 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.354 6.992 2.131 1.00 0.00 C ATOM 0 H VAL A 60 -7.742 3.873 2.951 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.389 6.263 4.724 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.224 5.924 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.686 8.309 2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.148 7.306 4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.653 8.271 4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.742 7.647 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.642 7.542 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.854 6.139 1.673 1.00 0.00 H new