USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 465 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 LYS NZ :NH3+ -164:sc= -0.983 (180deg=-0.98) USER MOD Set 1.2: A 35 ASN : amide:sc= -1.1 K(o=-2.1,f=-3.7) USER MOD Single : A 1 THR N :NH3+ 161:sc= 0.566 (180deg=0.426) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.097 USER MOD Single : A 2 THR OG1 : rot 23:sc= 0.376 USER MOD Single : A 3 TYR OH : rot 0:sc= -0.847 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.846 K(o=-0.85,f=-3.7!) USER MOD Single : A 10 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0256) USER MOD Single : A 11 GLN : amide:sc= -0.273 X(o=-0.27,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -151:sc= -0.0391 (180deg=-0.676) USER MOD Single : A 18 LYS NZ :NH3+ -116:sc=-0.00321 (180deg=-0.681) USER MOD Single : A 25 THR OG1 : rot 102:sc= 1.24 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= -0.813 (180deg=-0.827) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.38 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 0:sc= -1.06 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 11:sc= 0.891 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.039 -13.909 4.464 1.00 0.00 N ATOM 2 CA THR A 1 4.175 -13.342 3.399 1.00 0.00 C ATOM 3 C THR A 1 4.601 -11.923 3.039 1.00 0.00 C ATOM 4 O THR A 1 4.569 -11.023 3.877 1.00 0.00 O ATOM 5 CB THR A 1 2.725 -13.350 3.888 1.00 0.00 C ATOM 6 OG1 THR A 1 2.489 -14.459 4.736 1.00 0.00 O ATOM 7 CG2 THR A 1 1.713 -13.405 2.765 1.00 0.00 C ATOM 0 H1 THR A 1 4.556 -14.714 4.911 1.00 0.00 H new ATOM 0 H2 THR A 1 5.936 -14.232 4.048 1.00 0.00 H new ATOM 0 H3 THR A 1 5.232 -13.180 5.180 1.00 0.00 H new ATOM 0 HA THR A 1 4.271 -13.951 2.500 1.00 0.00 H new ATOM 0 HB THR A 1 2.596 -12.409 4.423 1.00 0.00 H new ATOM 0 HG1 THR A 1 1.557 -14.446 5.040 1.00 0.00 H new ATOM 0 HG21 THR A 1 0.706 -13.408 3.182 1.00 0.00 H new ATOM 0 HG22 THR A 1 1.836 -12.534 2.121 1.00 0.00 H new ATOM 0 HG23 THR A 1 1.866 -14.313 2.181 1.00 0.00 H new ATOM 17 N THR A 2 4.998 -11.730 1.783 1.00 0.00 N ATOM 18 CA THR A 2 5.429 -10.418 1.312 1.00 0.00 C ATOM 19 C THR A 2 4.247 -9.616 0.782 1.00 0.00 C ATOM 20 O THR A 2 3.540 -10.058 -0.123 1.00 0.00 O ATOM 21 CB THR A 2 6.488 -10.570 0.219 1.00 0.00 C ATOM 22 OG1 THR A 2 5.956 -11.250 -0.904 1.00 0.00 O ATOM 23 CG2 THR A 2 7.716 -11.330 0.677 1.00 0.00 C ATOM 0 H THR A 2 5.030 -12.464 1.076 1.00 0.00 H new ATOM 0 HA THR A 2 5.861 -9.880 2.156 1.00 0.00 H new ATOM 0 HB THR A 2 6.785 -9.553 -0.039 1.00 0.00 H new ATOM 0 HG1 THR A 2 4.981 -11.151 -0.915 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.427 -11.402 -0.146 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.179 -10.804 1.512 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.426 -12.332 0.995 1.00 0.00 H new ATOM 31 N TYR A 3 4.037 -8.431 1.349 1.00 0.00 N ATOM 32 CA TYR A 3 2.940 -7.567 0.932 1.00 0.00 C ATOM 33 C TYR A 3 3.464 -6.343 0.191 1.00 0.00 C ATOM 34 O TYR A 3 4.537 -5.827 0.504 1.00 0.00 O ATOM 35 CB TYR A 3 2.117 -7.133 2.145 1.00 0.00 C ATOM 36 CG TYR A 3 1.544 -8.290 2.932 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.330 -9.000 3.832 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.218 -8.674 2.774 1.00 0.00 C ATOM 39 CE1 TYR A 3 1.810 -10.059 4.552 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.309 -9.732 3.491 1.00 0.00 C ATOM 41 CZ TYR A 3 0.490 -10.421 4.377 1.00 0.00 C ATOM 42 OH TYR A 3 -0.032 -11.475 5.092 1.00 0.00 O ATOM 0 H TYR A 3 4.613 -8.048 2.099 1.00 0.00 H new ATOM 0 HA TYR A 3 2.301 -8.132 0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.744 -6.532 2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.301 -6.493 1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.364 -8.720 3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.411 -8.137 2.080 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.434 -10.600 5.248 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.342 -10.017 3.357 1.00 0.00 H new ATOM 0 HH TYR A 3 0.662 -11.853 5.672 1.00 0.00 H new ATOM 52 N LYS A 4 2.702 -5.882 -0.796 1.00 0.00 N ATOM 53 CA LYS A 4 3.093 -4.716 -1.583 1.00 0.00 C ATOM 54 C LYS A 4 1.928 -3.747 -1.732 1.00 0.00 C ATOM 55 O LYS A 4 0.765 -4.149 -1.721 1.00 0.00 O ATOM 56 CB LYS A 4 3.596 -5.152 -2.962 1.00 0.00 C ATOM 57 CG LYS A 4 4.660 -6.236 -2.906 1.00 0.00 C ATOM 58 CD LYS A 4 4.816 -6.931 -4.248 1.00 0.00 C ATOM 59 CE LYS A 4 5.875 -8.021 -4.191 1.00 0.00 C ATOM 60 NZ LYS A 4 6.032 -8.716 -5.500 1.00 0.00 N ATOM 0 H LYS A 4 1.811 -6.297 -1.070 1.00 0.00 H new ATOM 0 HA LYS A 4 3.899 -4.204 -1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.752 -5.513 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.000 -4.284 -3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.613 -5.798 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.395 -6.969 -2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.862 -7.365 -4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.086 -6.199 -5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.829 -7.584 -3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.606 -8.748 -3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.763 -9.451 -5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.129 -9.155 -5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.314 -8.028 -6.227 1.00 0.00 H new ATOM 74 N LEU A 5 2.253 -2.466 -1.861 1.00 0.00 N ATOM 75 CA LEU A 5 1.238 -1.434 -1.999 1.00 0.00 C ATOM 76 C LEU A 5 1.535 -0.527 -3.191 1.00 0.00 C ATOM 77 O LEU A 5 2.649 -0.027 -3.343 1.00 0.00 O ATOM 78 CB LEU A 5 1.154 -0.615 -0.708 1.00 0.00 C ATOM 79 CG LEU A 5 0.602 0.811 -0.860 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.681 0.803 -1.681 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.361 1.440 0.502 1.00 0.00 C ATOM 0 H LEU A 5 3.212 -2.119 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 5 0.277 -1.915 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.527 -1.154 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.151 -0.555 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 5 1.344 1.411 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.057 1.821 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.477 0.396 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.428 0.186 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.030 2.449 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.360 0.840 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.300 1.482 1.054 1.00 0.00 H new ATOM 93 N ILE A 6 0.524 -0.311 -4.027 1.00 0.00 N ATOM 94 CA ILE A 6 0.669 0.544 -5.198 1.00 0.00 C ATOM 95 C ILE A 6 -0.065 1.866 -4.993 1.00 0.00 C ATOM 96 O ILE A 6 -1.295 1.916 -5.006 1.00 0.00 O ATOM 97 CB ILE A 6 0.140 -0.146 -6.472 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.812 -1.503 -6.654 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.370 0.733 -7.692 1.00 0.00 C ATOM 100 CD1 ILE A 6 2.292 -1.402 -6.913 1.00 0.00 C ATOM 0 H ILE A 6 -0.405 -0.717 -3.914 1.00 0.00 H new ATOM 0 HA ILE A 6 1.734 0.737 -5.327 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.933 -0.302 -6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.646 -2.106 -5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.339 -2.027 -7.485 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.010 0.229 -8.581 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.152 1.681 -7.561 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.437 0.920 -7.810 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.709 -2.402 -7.033 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.464 -0.825 -7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.776 -0.906 -6.072 1.00 0.00 H new ATOM 112 N LEU A 7 0.703 2.933 -4.790 1.00 0.00 N ATOM 113 CA LEU A 7 0.133 4.257 -4.569 1.00 0.00 C ATOM 114 C LEU A 7 0.136 5.083 -5.851 1.00 0.00 C ATOM 115 O LEU A 7 1.173 5.236 -6.500 1.00 0.00 O ATOM 116 CB LEU A 7 0.916 4.988 -3.476 1.00 0.00 C ATOM 117 CG LEU A 7 1.115 4.194 -2.185 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.372 4.658 -1.462 1.00 0.00 C ATOM 119 CD2 LEU A 7 -0.101 4.329 -1.284 1.00 0.00 C ATOM 0 H LEU A 7 1.723 2.906 -4.774 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.902 4.130 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.894 5.261 -3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.398 5.917 -3.238 1.00 0.00 H new ATOM 0 HG LEU A 7 1.236 3.142 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.498 4.082 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.238 4.509 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.281 5.716 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.058 3.757 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.254 5.379 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.981 3.948 -1.801 1.00 0.00 H new ATOM 131 N ASN A 8 -1.028 5.619 -6.205 1.00 0.00 N ATOM 132 CA ASN A 8 -1.158 6.436 -7.409 1.00 0.00 C ATOM 133 C ASN A 8 -1.800 7.781 -7.084 1.00 0.00 C ATOM 134 O ASN A 8 -3.018 7.881 -6.926 1.00 0.00 O ATOM 135 CB ASN A 8 -1.990 5.702 -8.466 1.00 0.00 C ATOM 136 CG ASN A 8 -1.958 6.391 -9.814 1.00 0.00 C ATOM 137 OD1 ASN A 8 -2.990 6.553 -10.463 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.773 6.800 -10.245 1.00 0.00 N ATOM 0 H ASN A 8 -1.893 5.503 -5.677 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.159 6.615 -7.806 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.617 4.684 -8.574 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.022 5.629 -8.124 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.693 7.269 -11.147 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.058 6.645 -9.675 1.00 0.00 H new ATOM 145 N LEU A 9 -0.973 8.810 -6.985 1.00 0.00 N ATOM 146 CA LEU A 9 -1.452 10.155 -6.683 1.00 0.00 C ATOM 147 C LEU A 9 -1.218 11.093 -7.863 1.00 0.00 C ATOM 148 O LEU A 9 -0.676 10.690 -8.893 1.00 0.00 O ATOM 149 CB LEU A 9 -0.756 10.704 -5.435 1.00 0.00 C ATOM 150 CG LEU A 9 0.773 10.596 -5.444 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.406 11.985 -5.436 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.259 9.777 -4.258 1.00 0.00 C ATOM 0 H LEU A 9 0.037 8.742 -7.109 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.524 10.096 -6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.030 11.752 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.137 10.174 -4.562 1.00 0.00 H new ATOM 0 HG LEU A 9 1.077 10.085 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.492 11.890 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.085 12.536 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.094 12.522 -4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.347 9.712 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.945 10.257 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.834 8.774 -4.310 1.00 0.00 H new ATOM 164 N LYS A 10 -1.627 12.350 -7.710 1.00 0.00 N ATOM 165 CA LYS A 10 -1.460 13.343 -8.761 1.00 0.00 C ATOM 166 C LYS A 10 -0.080 14.002 -8.685 1.00 0.00 C ATOM 167 O LYS A 10 0.043 15.222 -8.770 1.00 0.00 O ATOM 168 CB LYS A 10 -2.558 14.413 -8.663 1.00 0.00 C ATOM 169 CG LYS A 10 -3.680 14.223 -9.672 1.00 0.00 C ATOM 170 CD LYS A 10 -3.625 15.283 -10.764 1.00 0.00 C ATOM 171 CE LYS A 10 -4.435 16.514 -10.389 1.00 0.00 C ATOM 172 NZ LYS A 10 -3.575 17.604 -9.844 1.00 0.00 N ATOM 0 H LYS A 10 -2.077 12.703 -6.865 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.542 12.832 -9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.978 14.400 -7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.111 15.396 -8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.606 13.232 -10.120 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.643 14.272 -9.163 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.588 15.569 -10.943 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.006 14.866 -11.696 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.969 16.878 -11.267 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.187 16.241 -9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.156 18.448 -9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.138 17.289 -8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.831 17.836 -10.532 1.00 0.00 H new ATOM 186 N GLN A 11 0.956 13.184 -8.527 1.00 0.00 N ATOM 187 CA GLN A 11 2.327 13.682 -8.443 1.00 0.00 C ATOM 188 C GLN A 11 3.305 12.524 -8.255 1.00 0.00 C ATOM 189 O GLN A 11 3.779 12.269 -7.145 1.00 0.00 O ATOM 190 CB GLN A 11 2.465 14.677 -7.293 1.00 0.00 C ATOM 191 CG GLN A 11 3.896 15.191 -7.098 1.00 0.00 C ATOM 192 CD GLN A 11 4.017 16.093 -5.890 1.00 0.00 C ATOM 193 OE1 GLN A 11 4.914 15.932 -5.062 1.00 0.00 O ATOM 194 NE2 GLN A 11 3.104 17.047 -5.785 1.00 0.00 N ATOM 0 H GLN A 11 0.873 12.170 -8.454 1.00 0.00 H new ATOM 0 HA GLN A 11 2.564 14.192 -9.377 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.805 15.525 -7.475 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.129 14.203 -6.371 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.573 14.344 -6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.210 15.735 -7.989 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.380 17.141 -6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.125 17.688 -4.992 1.00 0.00 H new ATOM 203 N ALA A 12 3.601 11.826 -9.346 1.00 0.00 N ATOM 204 CA ALA A 12 4.521 10.693 -9.301 1.00 0.00 C ATOM 205 C ALA A 12 3.954 9.556 -8.450 1.00 0.00 C ATOM 206 O ALA A 12 3.361 9.800 -7.400 1.00 0.00 O ATOM 207 CB ALA A 12 5.876 11.125 -8.763 1.00 0.00 C ATOM 0 H ALA A 12 3.219 12.023 -10.271 1.00 0.00 H new ATOM 0 HA ALA A 12 4.648 10.326 -10.320 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.548 10.267 -8.737 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.296 11.895 -9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.757 11.523 -7.755 1.00 0.00 H new ATOM 213 N LYS A 13 4.141 8.322 -8.912 1.00 0.00 N ATOM 214 CA LYS A 13 3.645 7.160 -8.196 1.00 0.00 C ATOM 215 C LYS A 13 4.716 6.596 -7.266 1.00 0.00 C ATOM 216 O LYS A 13 5.909 6.688 -7.546 1.00 0.00 O ATOM 217 CB LYS A 13 3.195 6.083 -9.186 1.00 0.00 C ATOM 218 CG LYS A 13 4.327 5.517 -10.029 1.00 0.00 C ATOM 219 CD LYS A 13 3.806 4.887 -11.313 1.00 0.00 C ATOM 220 CE LYS A 13 4.253 5.662 -12.535 1.00 0.00 C ATOM 221 NZ LYS A 13 3.941 7.118 -12.418 1.00 0.00 N ATOM 0 H LYS A 13 4.633 8.106 -9.779 1.00 0.00 H new ATOM 0 HA LYS A 13 2.792 7.471 -7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.722 5.270 -8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.437 6.503 -9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.033 6.311 -10.273 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.873 4.771 -9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.160 3.859 -11.384 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.717 4.848 -11.284 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.326 5.531 -12.675 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.764 5.256 -13.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.790 7.518 -13.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.080 7.244 -11.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.735 7.607 -11.958 1.00 0.00 H new ATOM 235 N GLU A 14 4.280 6.009 -6.156 1.00 0.00 N ATOM 236 CA GLU A 14 5.203 5.428 -5.186 1.00 0.00 C ATOM 237 C GLU A 14 4.782 4.007 -4.822 1.00 0.00 C ATOM 238 O GLU A 14 3.603 3.740 -4.585 1.00 0.00 O ATOM 239 CB GLU A 14 5.265 6.299 -3.928 1.00 0.00 C ATOM 240 CG GLU A 14 6.628 6.933 -3.698 1.00 0.00 C ATOM 241 CD GLU A 14 7.356 6.338 -2.509 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.997 5.218 -2.093 1.00 0.00 O ATOM 243 OE2 GLU A 14 8.287 6.994 -1.994 1.00 0.00 O ATOM 0 H GLU A 14 3.295 5.923 -5.906 1.00 0.00 H new ATOM 0 HA GLU A 14 6.194 5.387 -5.638 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.515 7.086 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.004 5.691 -3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.238 6.808 -4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.504 8.005 -3.544 1.00 0.00 H new ATOM 250 N GLU A 15 5.751 3.099 -4.778 1.00 0.00 N ATOM 251 CA GLU A 15 5.476 1.705 -4.447 1.00 0.00 C ATOM 252 C GLU A 15 6.034 1.342 -3.075 1.00 0.00 C ATOM 253 O GLU A 15 7.221 1.523 -2.806 1.00 0.00 O ATOM 254 CB GLU A 15 6.075 0.777 -5.505 1.00 0.00 C ATOM 255 CG GLU A 15 5.299 0.763 -6.812 1.00 0.00 C ATOM 256 CD GLU A 15 5.773 -0.320 -7.760 1.00 0.00 C ATOM 257 OE1 GLU A 15 6.113 -1.422 -7.279 1.00 0.00 O ATOM 258 OE2 GLU A 15 5.803 -0.068 -8.983 1.00 0.00 O ATOM 0 H GLU A 15 6.732 3.303 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 15 4.394 1.578 -4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.102 1.083 -5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.116 -0.236 -5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.240 0.617 -6.600 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.396 1.734 -7.298 1.00 0.00 H new ATOM 265 N ALA A 16 5.168 0.817 -2.217 1.00 0.00 N ATOM 266 CA ALA A 16 5.568 0.410 -0.878 1.00 0.00 C ATOM 267 C ALA A 16 5.554 -1.109 -0.763 1.00 0.00 C ATOM 268 O ALA A 16 4.662 -1.769 -1.296 1.00 0.00 O ATOM 269 CB ALA A 16 4.649 1.032 0.163 1.00 0.00 C ATOM 0 H ALA A 16 4.182 0.663 -2.427 1.00 0.00 H new ATOM 0 HA ALA A 16 6.583 0.763 -0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.962 0.718 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.702 2.118 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.624 0.706 -0.015 1.00 0.00 H new ATOM 275 N ILE A 17 6.543 -1.664 -0.074 1.00 0.00 N ATOM 276 CA ILE A 17 6.623 -3.110 0.090 1.00 0.00 C ATOM 277 C ILE A 17 7.336 -3.492 1.378 1.00 0.00 C ATOM 278 O ILE A 17 8.189 -2.757 1.877 1.00 0.00 O ATOM 279 CB ILE A 17 7.318 -3.786 -1.117 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.819 -3.470 -1.148 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.659 -3.343 -2.417 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.632 -4.489 -1.918 1.00 0.00 C ATOM 0 H ILE A 17 7.294 -1.141 0.376 1.00 0.00 H new ATOM 0 HA ILE A 17 5.596 -3.472 0.144 1.00 0.00 H new ATOM 0 HB ILE A 17 7.206 -4.865 -1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.967 -2.486 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.193 -3.416 -0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.156 -3.825 -3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.606 -3.626 -2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.743 -2.261 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.684 -4.204 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.514 -5.471 -1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.284 -4.527 -2.950 1.00 0.00 H new ATOM 294 N LYS A 18 6.964 -4.646 1.919 1.00 0.00 N ATOM 295 CA LYS A 18 7.546 -5.133 3.157 1.00 0.00 C ATOM 296 C LYS A 18 7.146 -6.589 3.399 1.00 0.00 C ATOM 297 O LYS A 18 6.005 -6.978 3.145 1.00 0.00 O ATOM 298 CB LYS A 18 7.087 -4.242 4.314 1.00 0.00 C ATOM 299 CG LYS A 18 7.350 -4.818 5.701 1.00 0.00 C ATOM 300 CD LYS A 18 8.438 -4.049 6.435 1.00 0.00 C ATOM 301 CE LYS A 18 9.627 -4.934 6.748 1.00 0.00 C ATOM 302 NZ LYS A 18 10.410 -5.268 5.525 1.00 0.00 N ATOM 0 H LYS A 18 6.258 -5.262 1.515 1.00 0.00 H new ATOM 0 HA LYS A 18 8.633 -5.094 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.589 -3.278 4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.018 -4.055 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.430 -4.793 6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.642 -5.864 5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.762 -3.204 5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.034 -3.639 7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.274 -4.431 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.281 -5.854 7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.366 -6.293 5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.011 -4.763 4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.401 -4.982 5.658 1.00 0.00 H new ATOM 316 N GLU A 19 8.088 -7.383 3.891 1.00 0.00 N ATOM 317 CA GLU A 19 7.830 -8.794 4.166 1.00 0.00 C ATOM 318 C GLU A 19 7.562 -9.019 5.651 1.00 0.00 C ATOM 319 O GLU A 19 8.400 -8.714 6.497 1.00 0.00 O ATOM 320 CB GLU A 19 9.010 -9.648 3.712 1.00 0.00 C ATOM 321 CG GLU A 19 10.345 -9.182 4.266 1.00 0.00 C ATOM 322 CD GLU A 19 11.483 -10.109 3.894 1.00 0.00 C ATOM 323 OE1 GLU A 19 11.633 -10.424 2.695 1.00 0.00 O ATOM 324 OE2 GLU A 19 12.242 -10.521 4.804 1.00 0.00 O ATOM 0 H GLU A 19 9.036 -7.077 4.108 1.00 0.00 H new ATOM 0 HA GLU A 19 6.942 -9.091 3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.840 -10.680 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.055 -9.641 2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.560 -8.181 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.279 -9.110 5.352 1.00 0.00 H new ATOM 331 N ALA A 20 6.384 -9.555 5.959 1.00 0.00 N ATOM 332 CA ALA A 20 6.004 -9.822 7.341 1.00 0.00 C ATOM 333 C ALA A 20 5.341 -11.188 7.474 1.00 0.00 C ATOM 334 O ALA A 20 4.721 -11.683 6.533 1.00 0.00 O ATOM 335 CB ALA A 20 5.076 -8.731 7.854 1.00 0.00 C ATOM 0 H ALA A 20 5.677 -9.812 5.270 1.00 0.00 H new ATOM 0 HA ALA A 20 6.911 -9.827 7.946 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.801 -8.944 8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.584 -7.768 7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.177 -8.699 7.238 1.00 0.00 H new ATOM 341 N VAL A 21 5.479 -11.794 8.651 1.00 0.00 N ATOM 342 CA VAL A 21 4.893 -13.109 8.904 1.00 0.00 C ATOM 343 C VAL A 21 3.372 -13.071 8.763 1.00 0.00 C ATOM 344 O VAL A 21 2.777 -13.939 8.122 1.00 0.00 O ATOM 345 CB VAL A 21 5.265 -13.648 10.305 1.00 0.00 C ATOM 346 CG1 VAL A 21 4.967 -12.607 11.368 1.00 0.00 C ATOM 347 CG2 VAL A 21 4.528 -14.948 10.599 1.00 0.00 C ATOM 0 H VAL A 21 5.989 -11.398 9.441 1.00 0.00 H new ATOM 0 HA VAL A 21 5.307 -13.783 8.154 1.00 0.00 H new ATOM 0 HB VAL A 21 6.334 -13.858 10.319 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.234 -13.001 12.348 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.548 -11.707 11.168 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.904 -12.364 11.352 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.806 -15.308 11.590 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.453 -14.772 10.565 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.797 -15.696 9.853 1.00 0.00 H new ATOM 357 N ASP A 22 2.743 -12.065 9.363 1.00 0.00 N ATOM 358 CA ASP A 22 1.293 -11.923 9.301 1.00 0.00 C ATOM 359 C ASP A 22 0.897 -10.818 8.324 1.00 0.00 C ATOM 360 O ASP A 22 1.731 -10.331 7.557 1.00 0.00 O ATOM 361 CB ASP A 22 0.729 -11.624 10.693 1.00 0.00 C ATOM 362 CG ASP A 22 1.221 -10.301 11.246 1.00 0.00 C ATOM 363 OD1 ASP A 22 2.283 -9.825 10.791 1.00 0.00 O ATOM 364 OD2 ASP A 22 0.546 -9.741 12.136 1.00 0.00 O ATOM 0 H ASP A 22 3.215 -11.336 9.898 1.00 0.00 H new ATOM 0 HA ASP A 22 0.873 -12.863 8.944 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.360 -11.612 10.646 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.010 -12.426 11.375 1.00 0.00 H new ATOM 369 N ALA A 23 -0.374 -10.425 8.352 1.00 0.00 N ATOM 370 CA ALA A 23 -0.866 -9.379 7.464 1.00 0.00 C ATOM 371 C ALA A 23 -1.150 -8.095 8.233 1.00 0.00 C ATOM 372 O ALA A 23 -0.981 -6.995 7.707 1.00 0.00 O ATOM 373 CB ALA A 23 -2.117 -9.845 6.738 1.00 0.00 C ATOM 0 H ALA A 23 -1.079 -10.814 8.978 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.089 -9.169 6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.472 -9.053 6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.886 -10.732 6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.892 -10.086 7.466 1.00 0.00 H new ATOM 379 N GLY A 24 -1.578 -8.238 9.485 1.00 0.00 N ATOM 380 CA GLY A 24 -1.873 -7.076 10.307 1.00 0.00 C ATOM 381 C GLY A 24 -0.757 -6.051 10.276 1.00 0.00 C ATOM 382 O GLY A 24 -0.993 -4.854 10.444 1.00 0.00 O ATOM 0 H GLY A 24 -1.726 -9.137 9.945 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.797 -6.614 9.961 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.042 -7.395 11.336 1.00 0.00 H new ATOM 386 N THR A 25 0.465 -6.528 10.052 1.00 0.00 N ATOM 387 CA THR A 25 1.627 -5.654 9.990 1.00 0.00 C ATOM 388 C THR A 25 1.699 -4.951 8.640 1.00 0.00 C ATOM 389 O THR A 25 2.187 -3.826 8.540 1.00 0.00 O ATOM 390 CB THR A 25 2.907 -6.453 10.233 1.00 0.00 C ATOM 391 OG1 THR A 25 2.786 -7.256 11.394 1.00 0.00 O ATOM 392 CG2 THR A 25 4.134 -5.584 10.402 1.00 0.00 C ATOM 0 H THR A 25 0.673 -7.516 9.911 1.00 0.00 H new ATOM 0 HA THR A 25 1.529 -4.899 10.770 1.00 0.00 H new ATOM 0 HB THR A 25 3.036 -7.066 9.341 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.602 -8.182 11.133 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.006 -6.215 10.571 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.285 -4.989 9.501 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.995 -4.921 11.256 1.00 0.00 H new ATOM 400 N ALA A 26 1.204 -5.621 7.603 1.00 0.00 N ATOM 401 CA ALA A 26 1.207 -5.056 6.260 1.00 0.00 C ATOM 402 C ALA A 26 0.162 -3.956 6.134 1.00 0.00 C ATOM 403 O ALA A 26 0.398 -2.930 5.495 1.00 0.00 O ATOM 404 CB ALA A 26 0.960 -6.147 5.227 1.00 0.00 C ATOM 0 H ALA A 26 0.797 -6.554 7.668 1.00 0.00 H new ATOM 0 HA ALA A 26 2.187 -4.616 6.075 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.965 -5.710 4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.745 -6.900 5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.007 -6.613 5.414 1.00 0.00 H new ATOM 410 N GLU A 27 -0.994 -4.176 6.753 1.00 0.00 N ATOM 411 CA GLU A 27 -2.076 -3.200 6.718 1.00 0.00 C ATOM 412 C GLU A 27 -1.695 -1.946 7.498 1.00 0.00 C ATOM 413 O GLU A 27 -1.655 -0.847 6.947 1.00 0.00 O ATOM 414 CB GLU A 27 -3.356 -3.808 7.297 1.00 0.00 C ATOM 415 CG GLU A 27 -4.539 -2.852 7.295 1.00 0.00 C ATOM 416 CD GLU A 27 -5.848 -3.547 7.611 1.00 0.00 C ATOM 417 OE1 GLU A 27 -6.101 -4.628 7.035 1.00 0.00 O ATOM 418 OE2 GLU A 27 -6.623 -3.011 8.432 1.00 0.00 O ATOM 0 H GLU A 27 -1.205 -5.021 7.284 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.253 -2.922 5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.617 -4.697 6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.164 -4.133 8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.365 -2.062 8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.613 -2.372 6.319 1.00 0.00 H new ATOM 425 N LYS A 28 -1.413 -2.122 8.787 1.00 0.00 N ATOM 426 CA LYS A 28 -1.033 -1.005 9.647 1.00 0.00 C ATOM 427 C LYS A 28 0.183 -0.268 9.088 1.00 0.00 C ATOM 428 O LYS A 28 0.238 0.962 9.111 1.00 0.00 O ATOM 429 CB LYS A 28 -0.740 -1.502 11.065 1.00 0.00 C ATOM 430 CG LYS A 28 -1.728 -0.999 12.102 1.00 0.00 C ATOM 431 CD LYS A 28 -2.002 -2.047 13.168 1.00 0.00 C ATOM 432 CE LYS A 28 -3.360 -1.842 13.818 1.00 0.00 C ATOM 433 NZ LYS A 28 -3.318 -2.090 15.285 1.00 0.00 N ATOM 0 H LYS A 28 -1.441 -3.026 9.258 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.869 -0.307 9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.747 -2.592 11.068 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.264 -1.189 11.350 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.336 -0.096 12.571 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.662 -0.724 11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.958 -3.041 12.722 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.223 -2.004 13.930 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.701 -0.824 13.632 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.087 -2.511 13.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.264 -1.939 15.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.017 -3.069 15.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.643 -1.435 15.729 1.00 0.00 H new ATOM 447 N TYR A 29 1.155 -1.024 8.585 1.00 0.00 N ATOM 448 CA TYR A 29 2.364 -0.432 8.020 1.00 0.00 C ATOM 449 C TYR A 29 2.026 0.380 6.771 1.00 0.00 C ATOM 450 O TYR A 29 2.410 1.544 6.653 1.00 0.00 O ATOM 451 CB TYR A 29 3.393 -1.519 7.679 1.00 0.00 C ATOM 452 CG TYR A 29 4.574 -1.016 6.874 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.466 -0.806 5.505 1.00 0.00 C ATOM 454 CD2 TYR A 29 5.792 -0.750 7.484 1.00 0.00 C ATOM 455 CE1 TYR A 29 5.542 -0.347 4.767 1.00 0.00 C ATOM 456 CE2 TYR A 29 6.870 -0.291 6.753 1.00 0.00 C ATOM 457 CZ TYR A 29 6.740 -0.090 5.395 1.00 0.00 C ATOM 458 OH TYR A 29 7.813 0.367 4.664 1.00 0.00 O ATOM 0 H TYR A 29 1.130 -2.043 8.557 1.00 0.00 H new ATOM 0 HA TYR A 29 2.798 0.234 8.766 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.759 -1.962 8.605 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.897 -2.313 7.121 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.527 -1.004 5.009 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.898 -0.904 8.548 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.443 -0.191 3.703 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.811 -0.090 7.243 1.00 0.00 H new ATOM 0 HH TYR A 29 8.581 0.499 5.258 1.00 0.00 H new ATOM 468 N PHE A 30 1.301 -0.242 5.846 1.00 0.00 N ATOM 469 CA PHE A 30 0.908 0.430 4.615 1.00 0.00 C ATOM 470 C PHE A 30 0.047 1.646 4.932 1.00 0.00 C ATOM 471 O PHE A 30 0.219 2.712 4.341 1.00 0.00 O ATOM 472 CB PHE A 30 0.154 -0.535 3.687 1.00 0.00 C ATOM 473 CG PHE A 30 1.039 -1.485 2.917 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.407 -1.263 2.795 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.496 -2.608 2.310 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.208 -2.140 2.087 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.295 -3.488 1.601 1.00 0.00 C ATOM 478 CZ PHE A 30 2.650 -3.254 1.490 1.00 0.00 C ATOM 0 H PHE A 30 0.976 -1.205 5.926 1.00 0.00 H new ATOM 0 HA PHE A 30 1.809 0.764 4.100 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.549 -1.117 4.283 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.434 0.048 2.978 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.849 -0.394 3.259 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.564 -2.798 2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.268 -1.954 2.001 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.858 -4.358 1.134 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.274 -3.941 0.937 1.00 0.00 H new ATOM 488 N LYS A 31 -0.876 1.483 5.874 1.00 0.00 N ATOM 489 CA LYS A 31 -1.756 2.576 6.273 1.00 0.00 C ATOM 490 C LYS A 31 -0.953 3.771 6.797 1.00 0.00 C ATOM 491 O LYS A 31 -1.382 4.917 6.665 1.00 0.00 O ATOM 492 CB LYS A 31 -2.739 2.099 7.345 1.00 0.00 C ATOM 493 CG LYS A 31 -4.105 2.760 7.251 1.00 0.00 C ATOM 494 CD LYS A 31 -4.633 3.150 8.621 1.00 0.00 C ATOM 495 CE LYS A 31 -5.420 4.450 8.566 1.00 0.00 C ATOM 496 NZ LYS A 31 -4.596 5.577 8.050 1.00 0.00 N ATOM 0 H LYS A 31 -1.034 0.608 6.374 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.312 2.898 5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.860 1.019 7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.315 2.297 8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.038 3.646 6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.807 2.079 6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.270 2.354 9.007 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.800 3.257 9.316 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.294 4.318 7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.786 4.695 9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.061 6.479 8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.656 5.551 8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.495 5.489 7.019 1.00 0.00 H new ATOM 510 N LEU A 32 0.206 3.497 7.396 1.00 0.00 N ATOM 511 CA LEU A 32 1.053 4.553 7.941 1.00 0.00 C ATOM 512 C LEU A 32 1.751 5.337 6.833 1.00 0.00 C ATOM 513 O LEU A 32 1.898 6.557 6.924 1.00 0.00 O ATOM 514 CB LEU A 32 2.087 3.948 8.894 1.00 0.00 C ATOM 515 CG LEU A 32 1.533 3.383 10.211 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.229 4.032 11.392 1.00 0.00 C ATOM 517 CD2 LEU A 32 0.023 3.579 10.319 1.00 0.00 C ATOM 0 H LEU A 32 0.577 2.555 7.515 1.00 0.00 H new ATOM 0 HA LEU A 32 0.418 5.249 8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.612 3.149 8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.826 4.713 9.131 1.00 0.00 H new ATOM 0 HG LEU A 32 1.730 2.311 10.220 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.828 3.624 12.320 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.299 3.831 11.339 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.061 5.109 11.367 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.331 3.166 11.264 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.210 4.643 10.278 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.470 3.068 9.492 1.00 0.00 H new ATOM 529 N ILE A 33 2.179 4.638 5.783 1.00 0.00 N ATOM 530 CA ILE A 33 2.859 5.284 4.668 1.00 0.00 C ATOM 531 C ILE A 33 1.861 5.962 3.737 1.00 0.00 C ATOM 532 O ILE A 33 2.149 7.007 3.153 1.00 0.00 O ATOM 533 CB ILE A 33 3.708 4.279 3.861 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.506 5.002 2.774 1.00 0.00 C ATOM 535 CG2 ILE A 33 2.823 3.202 3.253 1.00 0.00 C ATOM 536 CD1 ILE A 33 5.977 5.146 3.098 1.00 0.00 C ATOM 0 H ILE A 33 2.066 3.629 5.683 1.00 0.00 H new ATOM 0 HA ILE A 33 3.521 6.037 5.095 1.00 0.00 H new ATOM 0 HB ILE A 33 4.413 3.799 4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.401 4.458 1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.078 5.992 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.438 2.502 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.302 2.668 4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.093 3.663 2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.480 5.668 2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.092 5.716 4.020 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.420 4.158 3.224 1.00 0.00 H new ATOM 548 N ALA A 34 0.682 5.362 3.605 1.00 0.00 N ATOM 549 CA ALA A 34 -0.360 5.912 2.749 1.00 0.00 C ATOM 550 C ALA A 34 -0.870 7.239 3.299 1.00 0.00 C ATOM 551 O ALA A 34 -0.689 8.287 2.682 1.00 0.00 O ATOM 552 CB ALA A 34 -1.506 4.920 2.608 1.00 0.00 C ATOM 0 H ALA A 34 0.426 4.496 4.080 1.00 0.00 H new ATOM 0 HA ALA A 34 0.068 6.095 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.278 5.344 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.134 3.995 2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.928 4.709 3.591 1.00 0.00 H new ATOM 558 N ASN A 35 -1.508 7.184 4.463 1.00 0.00 N ATOM 559 CA ASN A 35 -2.045 8.383 5.099 1.00 0.00 C ATOM 560 C ASN A 35 -0.958 9.440 5.303 1.00 0.00 C ATOM 561 O ASN A 35 -1.232 10.639 5.238 1.00 0.00 O ATOM 562 CB ASN A 35 -2.682 8.027 6.445 1.00 0.00 C ATOM 563 CG ASN A 35 -4.200 8.032 6.393 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.861 8.418 7.356 1.00 0.00 O ATOM 565 ND2 ASN A 35 -4.763 7.605 5.265 1.00 0.00 N ATOM 0 H ASN A 35 -1.666 6.323 4.986 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.805 8.799 4.438 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.336 7.042 6.757 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.346 8.737 7.201 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.779 7.590 5.176 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.178 7.293 4.489 1.00 0.00 H new ATOM 572 N ALA A 36 0.267 8.991 5.555 1.00 0.00 N ATOM 573 CA ALA A 36 1.384 9.905 5.771 1.00 0.00 C ATOM 574 C ALA A 36 1.897 10.490 4.459 1.00 0.00 C ATOM 575 O ALA A 36 2.523 11.550 4.447 1.00 0.00 O ATOM 576 CB ALA A 36 2.510 9.192 6.505 1.00 0.00 C ATOM 0 H ALA A 36 0.512 8.003 5.615 1.00 0.00 H new ATOM 0 HA ALA A 36 1.023 10.732 6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.338 9.884 6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.148 8.837 7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.852 8.344 5.911 1.00 0.00 H new ATOM 582 N LYS A 37 1.635 9.797 3.355 1.00 0.00 N ATOM 583 CA LYS A 37 2.081 10.254 2.044 1.00 0.00 C ATOM 584 C LYS A 37 0.961 10.974 1.298 1.00 0.00 C ATOM 585 O LYS A 37 1.212 11.891 0.517 1.00 0.00 O ATOM 586 CB LYS A 37 2.585 9.073 1.212 1.00 0.00 C ATOM 587 CG LYS A 37 3.916 8.519 1.690 1.00 0.00 C ATOM 588 CD LYS A 37 5.083 9.344 1.170 1.00 0.00 C ATOM 589 CE LYS A 37 5.184 9.274 -0.345 1.00 0.00 C ATOM 590 NZ LYS A 37 5.030 7.881 -0.849 1.00 0.00 N ATOM 0 H LYS A 37 1.117 8.918 3.342 1.00 0.00 H new ATOM 0 HA LYS A 37 2.898 10.959 2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.840 8.278 1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.683 9.387 0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.935 8.506 2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.022 7.487 1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.963 10.382 1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.011 8.984 1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.416 9.908 -0.789 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.148 9.670 -0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.122 7.874 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.767 7.277 -0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.093 7.517 -0.583 1.00 0.00 H new ATOM 604 N THR A 38 -0.274 10.551 1.541 1.00 0.00 N ATOM 605 CA THR A 38 -1.431 11.156 0.890 1.00 0.00 C ATOM 606 C THR A 38 -2.732 10.610 1.468 1.00 0.00 C ATOM 607 O THR A 38 -2.735 9.599 2.170 1.00 0.00 O ATOM 608 CB THR A 38 -1.384 10.896 -0.615 1.00 0.00 C ATOM 609 OG1 THR A 38 -2.649 11.142 -1.208 1.00 0.00 O ATOM 610 CG2 THR A 38 -0.976 9.492 -0.968 1.00 0.00 C ATOM 0 H THR A 38 -0.500 9.792 2.184 1.00 0.00 H new ATOM 0 HA THR A 38 -1.397 12.230 1.072 1.00 0.00 H new ATOM 0 HB THR A 38 -0.628 11.580 -1.000 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.597 10.971 -2.172 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.964 9.378 -2.052 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.019 9.292 -0.571 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.687 8.787 -0.537 1.00 0.00 H new ATOM 618 N VAL A 39 -3.835 11.286 1.168 1.00 0.00 N ATOM 619 CA VAL A 39 -5.144 10.868 1.658 1.00 0.00 C ATOM 620 C VAL A 39 -6.206 11.007 0.571 1.00 0.00 C ATOM 621 O VAL A 39 -7.136 11.805 0.692 1.00 0.00 O ATOM 622 CB VAL A 39 -5.570 11.692 2.890 1.00 0.00 C ATOM 623 CG1 VAL A 39 -4.670 11.383 4.075 1.00 0.00 C ATOM 624 CG2 VAL A 39 -5.554 13.177 2.570 1.00 0.00 C ATOM 0 H VAL A 39 -3.850 12.125 0.588 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.058 9.820 1.945 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.590 11.414 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.985 11.973 4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.739 10.323 4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.639 11.631 3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.857 13.742 3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.548 13.475 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.246 13.381 1.753 1.00 0.00 H new ATOM 634 N GLU A 40 -6.060 10.223 -0.493 1.00 0.00 N ATOM 635 CA GLU A 40 -7.005 10.259 -1.602 1.00 0.00 C ATOM 636 C GLU A 40 -6.713 9.144 -2.604 1.00 0.00 C ATOM 637 O GLU A 40 -5.714 9.186 -3.318 1.00 0.00 O ATOM 638 CB GLU A 40 -6.948 11.616 -2.306 1.00 0.00 C ATOM 639 CG GLU A 40 -8.156 12.496 -2.025 1.00 0.00 C ATOM 640 CD GLU A 40 -8.559 13.332 -3.222 1.00 0.00 C ATOM 641 OE1 GLU A 40 -7.657 13.874 -3.897 1.00 0.00 O ATOM 642 OE2 GLU A 40 -9.773 13.446 -3.487 1.00 0.00 O ATOM 0 H GLU A 40 -5.297 9.556 -0.610 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.005 10.108 -1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.045 12.141 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.867 11.456 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.996 11.869 -1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.934 13.154 -1.185 1.00 0.00 H new ATOM 649 N GLY A 41 -7.591 8.147 -2.646 1.00 0.00 N ATOM 650 CA GLY A 41 -7.404 7.038 -3.565 1.00 0.00 C ATOM 651 C GLY A 41 -8.395 5.914 -3.329 1.00 0.00 C ATOM 652 O GLY A 41 -9.174 5.952 -2.377 1.00 0.00 O ATOM 0 H GLY A 41 -8.426 8.087 -2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.505 7.398 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.390 6.652 -3.461 1.00 0.00 H new ATOM 656 N VAL A 42 -8.360 4.907 -4.196 1.00 0.00 N ATOM 657 CA VAL A 42 -9.252 3.763 -4.075 1.00 0.00 C ATOM 658 C VAL A 42 -8.496 2.546 -3.573 1.00 0.00 C ATOM 659 O VAL A 42 -7.647 1.989 -4.270 1.00 0.00 O ATOM 660 CB VAL A 42 -9.943 3.421 -5.411 1.00 0.00 C ATOM 661 CG1 VAL A 42 -10.857 4.557 -5.837 1.00 0.00 C ATOM 662 CG2 VAL A 42 -8.919 3.115 -6.492 1.00 0.00 C ATOM 0 H VAL A 42 -7.722 4.862 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.023 4.039 -3.356 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.548 2.526 -5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.338 4.302 -6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.618 4.717 -5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.271 5.468 -5.962 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.433 2.877 -7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.278 3.984 -6.643 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.310 2.264 -6.186 1.00 0.00 H new ATOM 672 N TRP A 43 -8.807 2.157 -2.347 1.00 0.00 N ATOM 673 CA TRP A 43 -8.180 1.031 -1.699 1.00 0.00 C ATOM 674 C TRP A 43 -8.617 -0.289 -2.334 1.00 0.00 C ATOM 675 O TRP A 43 -9.810 -0.557 -2.470 1.00 0.00 O ATOM 676 CB TRP A 43 -8.565 1.061 -0.225 1.00 0.00 C ATOM 677 CG TRP A 43 -7.557 1.754 0.652 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.408 3.108 0.798 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.560 1.150 1.502 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.395 3.382 1.679 1.00 0.00 N ATOM 681 CE2 TRP A 43 -5.857 2.204 2.123 1.00 0.00 C ATOM 682 CE3 TRP A 43 -6.190 -0.172 1.798 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -4.818 1.986 3.017 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -5.136 -0.384 2.705 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.472 0.695 3.296 1.00 0.00 C ATOM 0 H TRP A 43 -9.510 2.623 -1.773 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.098 1.101 -1.813 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.528 1.561 -0.121 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.697 0.038 0.127 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.004 3.853 0.291 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.091 4.314 1.959 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.702 -1.005 1.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.299 2.813 3.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.836 -1.393 2.948 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.667 0.503 3.989 1.00 0.00 H new ATOM 696 N THR A 44 -7.642 -1.104 -2.711 1.00 0.00 N ATOM 697 CA THR A 44 -7.915 -2.399 -3.323 1.00 0.00 C ATOM 698 C THR A 44 -6.810 -3.386 -2.975 1.00 0.00 C ATOM 699 O THR A 44 -5.685 -2.983 -2.694 1.00 0.00 O ATOM 700 CB THR A 44 -8.035 -2.258 -4.841 1.00 0.00 C ATOM 701 OG1 THR A 44 -7.243 -1.180 -5.308 1.00 0.00 O ATOM 702 CG2 THR A 44 -9.453 -2.023 -5.311 1.00 0.00 C ATOM 0 H THR A 44 -6.650 -0.891 -2.604 1.00 0.00 H new ATOM 0 HA THR A 44 -8.861 -2.775 -2.933 1.00 0.00 H new ATOM 0 HB THR A 44 -7.689 -3.208 -5.247 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.332 -1.106 -6.281 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.466 -1.932 -6.397 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.080 -2.862 -5.009 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.837 -1.105 -4.866 1.00 0.00 H new ATOM 710 N TYR A 45 -7.129 -4.677 -2.990 1.00 0.00 N ATOM 711 CA TYR A 45 -6.138 -5.703 -2.668 1.00 0.00 C ATOM 712 C TYR A 45 -6.325 -6.945 -3.534 1.00 0.00 C ATOM 713 O TYR A 45 -7.449 -7.359 -3.819 1.00 0.00 O ATOM 714 CB TYR A 45 -6.200 -6.067 -1.174 1.00 0.00 C ATOM 715 CG TYR A 45 -5.593 -7.414 -0.835 1.00 0.00 C ATOM 716 CD1 TYR A 45 -6.300 -8.589 -1.051 1.00 0.00 C ATOM 717 CD2 TYR A 45 -4.316 -7.507 -0.296 1.00 0.00 C ATOM 718 CE1 TYR A 45 -5.754 -9.820 -0.741 1.00 0.00 C ATOM 719 CE2 TYR A 45 -3.761 -8.734 0.016 1.00 0.00 C ATOM 720 CZ TYR A 45 -4.484 -9.886 -0.208 1.00 0.00 C ATOM 721 OH TYR A 45 -3.935 -11.110 0.102 1.00 0.00 O ATOM 0 H TYR A 45 -8.056 -5.037 -3.219 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.151 -5.293 -2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.685 -5.295 -0.602 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.242 -6.060 -0.853 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.295 -8.540 -1.469 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.748 -6.606 -0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.318 -10.724 -0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.766 -8.790 0.433 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.574 -11.820 -0.116 1.00 0.00 H new ATOM 731 N LYS A 46 -5.207 -7.540 -3.938 1.00 0.00 N ATOM 732 CA LYS A 46 -5.226 -8.743 -4.762 1.00 0.00 C ATOM 733 C LYS A 46 -4.509 -9.884 -4.057 1.00 0.00 C ATOM 734 O LYS A 46 -3.363 -9.747 -3.629 1.00 0.00 O ATOM 735 CB LYS A 46 -4.581 -8.476 -6.123 1.00 0.00 C ATOM 736 CG LYS A 46 -5.037 -7.177 -6.767 1.00 0.00 C ATOM 737 CD LYS A 46 -5.944 -7.432 -7.960 1.00 0.00 C ATOM 738 CE LYS A 46 -5.147 -7.784 -9.198 1.00 0.00 C ATOM 739 NZ LYS A 46 -5.701 -8.980 -9.895 1.00 0.00 N ATOM 0 H LYS A 46 -4.272 -7.206 -3.706 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.266 -9.029 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.498 -8.452 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.810 -9.304 -6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.565 -6.571 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.167 -6.604 -7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.634 -8.243 -7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.548 -6.546 -8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.144 -6.935 -9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.110 -7.974 -8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.127 -9.188 -10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.681 -9.797 -9.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.682 -8.790 -10.183 1.00 0.00 H new ATOM 753 N ASP A 47 -5.202 -11.007 -3.937 1.00 0.00 N ATOM 754 CA ASP A 47 -4.651 -12.184 -3.282 1.00 0.00 C ATOM 755 C ASP A 47 -3.606 -12.873 -4.157 1.00 0.00 C ATOM 756 O ASP A 47 -2.869 -13.741 -3.686 1.00 0.00 O ATOM 757 CB ASP A 47 -5.774 -13.161 -2.945 1.00 0.00 C ATOM 758 CG ASP A 47 -6.660 -13.460 -4.137 1.00 0.00 C ATOM 759 OD1 ASP A 47 -6.230 -14.235 -5.018 1.00 0.00 O ATOM 760 OD2 ASP A 47 -7.786 -12.920 -4.192 1.00 0.00 O ATOM 0 H ASP A 47 -6.152 -11.128 -4.287 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.159 -11.861 -2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.343 -14.091 -2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.381 -12.748 -2.140 1.00 0.00 H new ATOM 765 N GLU A 48 -3.546 -12.491 -5.431 1.00 0.00 N ATOM 766 CA GLU A 48 -2.584 -13.086 -6.358 1.00 0.00 C ATOM 767 C GLU A 48 -1.183 -13.129 -5.756 1.00 0.00 C ATOM 768 O GLU A 48 -0.411 -14.051 -6.014 1.00 0.00 O ATOM 769 CB GLU A 48 -2.542 -12.327 -7.705 1.00 0.00 C ATOM 770 CG GLU A 48 -3.885 -12.224 -8.427 1.00 0.00 C ATOM 771 CD GLU A 48 -5.004 -13.004 -7.759 1.00 0.00 C ATOM 772 OE1 GLU A 48 -5.097 -14.227 -7.988 1.00 0.00 O ATOM 773 OE2 GLU A 48 -5.785 -12.384 -6.997 1.00 0.00 O ATOM 0 H GLU A 48 -4.147 -11.778 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.922 -14.106 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.164 -11.320 -7.527 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.829 -12.824 -8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.174 -11.175 -8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.765 -12.583 -9.449 1.00 0.00 H new ATOM 780 N ILE A 49 -0.861 -12.129 -4.943 1.00 0.00 N ATOM 781 CA ILE A 49 0.446 -12.057 -4.299 1.00 0.00 C ATOM 782 C ILE A 49 0.417 -11.132 -3.085 1.00 0.00 C ATOM 783 O ILE A 49 1.436 -10.547 -2.718 1.00 0.00 O ATOM 784 CB ILE A 49 1.530 -11.564 -5.277 1.00 0.00 C ATOM 785 CG1 ILE A 49 1.048 -10.320 -6.028 1.00 0.00 C ATOM 786 CG2 ILE A 49 1.908 -12.664 -6.246 1.00 0.00 C ATOM 787 CD1 ILE A 49 2.003 -9.151 -5.933 1.00 0.00 C ATOM 0 H ILE A 49 -1.487 -11.357 -4.714 1.00 0.00 H new ATOM 0 HA ILE A 49 0.690 -13.069 -3.975 1.00 0.00 H new ATOM 0 HB ILE A 49 2.417 -11.294 -4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.900 -10.574 -7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.078 -10.020 -5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.675 -12.299 -6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.293 -13.520 -5.692 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.029 -12.966 -6.815 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.598 -8.305 -6.488 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.133 -8.871 -4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.967 -9.434 -6.355 1.00 0.00 H new ATOM 799 N LYS A 50 -0.753 -11.006 -2.467 1.00 0.00 N ATOM 800 CA LYS A 50 -0.912 -10.153 -1.293 1.00 0.00 C ATOM 801 C LYS A 50 -0.381 -8.746 -1.557 1.00 0.00 C ATOM 802 O LYS A 50 0.791 -8.457 -1.314 1.00 0.00 O ATOM 803 CB LYS A 50 -0.189 -10.764 -0.091 1.00 0.00 C ATOM 804 CG LYS A 50 -0.818 -12.055 0.407 1.00 0.00 C ATOM 805 CD LYS A 50 -0.285 -13.263 -0.349 1.00 0.00 C ATOM 806 CE LYS A 50 -1.194 -14.470 -0.184 1.00 0.00 C ATOM 807 NZ LYS A 50 -0.602 -15.491 0.723 1.00 0.00 N ATOM 0 H LYS A 50 -1.606 -11.484 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.977 -10.082 -1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.849 -10.957 -0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.177 -10.038 0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.616 -12.172 1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.901 -12.001 0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.191 -13.019 -1.407 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.714 -13.507 0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.157 -14.148 0.212 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.384 -14.918 -1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.253 -16.298 0.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.305 -15.818 0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.444 -15.072 1.662 1.00 0.00 H new ATOM 821 N THR A 51 -1.247 -7.872 -2.058 1.00 0.00 N ATOM 822 CA THR A 51 -0.852 -6.499 -2.351 1.00 0.00 C ATOM 823 C THR A 51 -2.063 -5.581 -2.443 1.00 0.00 C ATOM 824 O THR A 51 -3.075 -5.925 -3.053 1.00 0.00 O ATOM 825 CB THR A 51 -0.057 -6.444 -3.656 1.00 0.00 C ATOM 826 OG1 THR A 51 0.325 -5.113 -3.954 1.00 0.00 O ATOM 827 CG2 THR A 51 -0.820 -6.981 -4.847 1.00 0.00 C ATOM 0 H THR A 51 -2.221 -8.088 -2.269 1.00 0.00 H new ATOM 0 HA THR A 51 -0.224 -6.151 -1.531 1.00 0.00 H new ATOM 0 HB THR A 51 0.814 -7.078 -3.490 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.155 -4.542 -3.176 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.197 -6.912 -5.739 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.085 -8.023 -4.669 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.728 -6.395 -4.992 1.00 0.00 H new ATOM 835 N PHE A 52 -1.945 -4.405 -1.834 1.00 0.00 N ATOM 836 CA PHE A 52 -3.022 -3.424 -1.846 1.00 0.00 C ATOM 837 C PHE A 52 -2.666 -2.250 -2.753 1.00 0.00 C ATOM 838 O PHE A 52 -1.503 -2.048 -3.088 1.00 0.00 O ATOM 839 CB PHE A 52 -3.309 -2.914 -0.428 1.00 0.00 C ATOM 840 CG PHE A 52 -3.156 -3.961 0.641 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.898 -4.394 1.030 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.270 -4.510 1.255 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.755 -5.355 2.013 1.00 0.00 C ATOM 844 CE2 PHE A 52 -4.133 -5.471 2.239 1.00 0.00 C ATOM 845 CZ PHE A 52 -2.874 -5.894 2.618 1.00 0.00 C ATOM 0 H PHE A 52 -1.112 -4.109 -1.325 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.917 -3.912 -2.231 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.637 -2.084 -0.208 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.325 -2.520 -0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.020 -3.976 0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.257 -4.183 0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.770 -5.684 2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.009 -5.891 2.711 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.764 -6.645 3.386 1.00 0.00 H new ATOM 855 N THR A 53 -3.670 -1.476 -3.153 1.00 0.00 N ATOM 856 CA THR A 53 -3.433 -0.328 -4.021 1.00 0.00 C ATOM 857 C THR A 53 -4.407 0.807 -3.713 1.00 0.00 C ATOM 858 O THR A 53 -5.532 0.573 -3.275 1.00 0.00 O ATOM 859 CB THR A 53 -3.547 -0.743 -5.495 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.547 -1.691 -5.833 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.434 0.412 -6.478 1.00 0.00 C ATOM 0 H THR A 53 -4.646 -1.620 -2.893 1.00 0.00 H new ATOM 0 HA THR A 53 -2.423 0.035 -3.833 1.00 0.00 H new ATOM 0 HB THR A 53 -4.547 -1.167 -5.583 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.640 -1.942 -6.776 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.525 0.033 -7.496 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.229 1.132 -6.286 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.467 0.899 -6.357 1.00 0.00 H new ATOM 869 N VAL A 54 -3.963 2.035 -3.962 1.00 0.00 N ATOM 870 CA VAL A 54 -4.789 3.214 -3.731 1.00 0.00 C ATOM 871 C VAL A 54 -4.675 4.178 -4.916 1.00 0.00 C ATOM 872 O VAL A 54 -3.667 4.862 -5.088 1.00 0.00 O ATOM 873 CB VAL A 54 -4.419 3.918 -2.395 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.424 5.059 -2.590 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.674 4.422 -1.702 1.00 0.00 C ATOM 0 H VAL A 54 -3.032 2.239 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.827 2.891 -3.645 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.930 3.175 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.200 5.516 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.505 4.670 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.855 5.808 -3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.402 4.913 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.187 5.133 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.335 3.582 -1.491 1.00 0.00 H new ATOM 885 N THR A 55 -5.708 4.202 -5.753 1.00 0.00 N ATOM 886 CA THR A 55 -5.711 5.061 -6.935 1.00 0.00 C ATOM 887 C THR A 55 -6.680 6.229 -6.778 1.00 0.00 C ATOM 888 O THR A 55 -7.843 6.043 -6.418 1.00 0.00 O ATOM 889 CB THR A 55 -6.074 4.249 -8.178 1.00 0.00 C ATOM 890 OG1 THR A 55 -5.401 3.002 -8.177 1.00 0.00 O ATOM 891 CG2 THR A 55 -5.734 4.952 -9.473 1.00 0.00 C ATOM 0 H THR A 55 -6.551 3.639 -5.637 1.00 0.00 H new ATOM 0 HA THR A 55 -4.707 5.469 -7.049 1.00 0.00 H new ATOM 0 HB THR A 55 -7.155 4.115 -8.129 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.648 2.496 -8.979 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.018 4.321 -10.315 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.277 5.896 -9.528 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.662 5.147 -9.511 1.00 0.00 H new ATOM 899 N GLU A 56 -6.197 7.436 -7.056 1.00 0.00 N ATOM 900 CA GLU A 56 -7.023 8.634 -6.953 1.00 0.00 C ATOM 901 C GLU A 56 -7.672 8.956 -8.295 1.00 0.00 C ATOM 902 O GLU A 56 -7.028 9.644 -9.108 1.00 0.00 O ATOM 903 CB GLU A 56 -6.187 9.816 -6.472 1.00 0.00 C ATOM 904 CG GLU A 56 -6.965 11.125 -6.386 1.00 0.00 C ATOM 905 CD GLU A 56 -6.218 12.295 -6.992 1.00 0.00 C ATOM 906 OE1 GLU A 56 -5.023 12.463 -6.666 1.00 0.00 O ATOM 907 OE2 GLU A 56 -6.825 13.038 -7.790 1.00 0.00 O ATOM 908 OXT GLU A 56 -8.818 8.519 -8.519 1.00 0.00 O ATOM 0 H GLU A 56 -5.237 7.610 -7.354 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.812 8.445 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.776 9.583 -5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.342 9.950 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.921 11.008 -6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.185 11.343 -5.341 1.00 0.00 H new