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 8 ASN : amide:sc= -1.06 K(o=-0.39,f=1.4) USER MOD Set 1.2: A 55 THR OG1 : rot -79:sc= 0.669 USER MOD Set 2.1: A 37 LYS NZ :NH3+ -155:sc= 1.1 (180deg=0.605) USER MOD Set 2.2: A 38 THR OG1 : rot 74:sc= -0.564 USER MOD Set 3.1: A 1 THR OG1 : rot 97:sc= 0.508 USER MOD Set 3.2: A 3 TYR OH : rot -59:sc= -1.59 USER MOD Single : A 1 THR N :NH3+ 172:sc= 0.719 (180deg=0.687) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -126:sc= -0.838 (180deg=-3.42!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -168:sc=-0.00324 (180deg=-0.123) USER MOD Single : A 25 THR OG1 : rot 91:sc= 1.11 USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= -0.241 (180deg=-0.999) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -150:sc= -0.104 (180deg=-0.721) USER MOD Single : A 35 ASN : amide:sc= -0.612 K(o=-0.61,f=-0.048) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 45 TYR OH : rot 32:sc= 0.509 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 39:sc= 0.00584 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.402 -13.443 4.627 1.00 0.00 N ATOM 2 CA THR A 1 5.158 -13.115 3.199 1.00 0.00 C ATOM 3 C THR A 1 5.644 -11.709 2.864 1.00 0.00 C ATOM 4 O THR A 1 6.255 -11.038 3.698 1.00 0.00 O ATOM 5 CB THR A 1 3.658 -13.234 2.920 1.00 0.00 C ATOM 6 OG1 THR A 1 2.908 -12.969 4.092 1.00 0.00 O ATOM 7 CG2 THR A 1 3.250 -14.601 2.414 1.00 0.00 C ATOM 0 H1 THR A 1 4.942 -14.347 4.859 1.00 0.00 H new ATOM 0 H2 THR A 1 6.425 -13.522 4.795 1.00 0.00 H new ATOM 0 H3 THR A 1 5.009 -12.691 5.228 1.00 0.00 H new ATOM 0 HA THR A 1 5.714 -13.813 2.573 1.00 0.00 H new ATOM 0 HB THR A 1 3.449 -12.499 2.142 1.00 0.00 H new ATOM 0 HG1 THR A 1 2.614 -12.034 4.088 1.00 0.00 H new ATOM 0 HG21 THR A 1 2.175 -14.617 2.236 1.00 0.00 H new ATOM 0 HG22 THR A 1 3.775 -14.816 1.483 1.00 0.00 H new ATOM 0 HG23 THR A 1 3.506 -15.356 3.158 1.00 0.00 H new ATOM 17 N THR A 2 5.371 -11.267 1.641 1.00 0.00 N ATOM 18 CA THR A 2 5.782 -9.940 1.196 1.00 0.00 C ATOM 19 C THR A 2 4.611 -9.189 0.571 1.00 0.00 C ATOM 20 O THR A 2 4.253 -9.427 -0.582 1.00 0.00 O ATOM 21 CB THR A 2 6.928 -10.049 0.191 1.00 0.00 C ATOM 22 OG1 THR A 2 6.818 -11.239 -0.569 1.00 0.00 O ATOM 23 CG2 THR A 2 8.295 -10.041 0.840 1.00 0.00 C ATOM 0 H THR A 2 4.866 -11.809 0.939 1.00 0.00 H new ATOM 0 HA THR A 2 6.124 -9.382 2.067 1.00 0.00 H new ATOM 0 HB THR A 2 6.841 -9.167 -0.444 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.560 -11.289 -1.207 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.063 -10.121 0.071 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.430 -9.111 1.392 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.378 -10.885 1.525 1.00 0.00 H new ATOM 31 N TYR A 3 4.020 -8.278 1.339 1.00 0.00 N ATOM 32 CA TYR A 3 2.891 -7.490 0.859 1.00 0.00 C ATOM 33 C TYR A 3 3.373 -6.265 0.090 1.00 0.00 C ATOM 34 O TYR A 3 4.431 -5.711 0.387 1.00 0.00 O ATOM 35 CB TYR A 3 2.008 -7.059 2.032 1.00 0.00 C ATOM 36 CG TYR A 3 1.578 -8.207 2.920 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.432 -8.723 3.888 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.316 -8.774 2.790 1.00 0.00 C ATOM 39 CE1 TYR A 3 2.041 -9.771 4.698 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.083 -9.823 3.598 1.00 0.00 C ATOM 41 CZ TYR A 3 0.784 -10.318 4.550 1.00 0.00 C ATOM 42 OH TYR A 3 0.390 -11.361 5.356 1.00 0.00 O ATOM 0 H TYR A 3 4.305 -8.068 2.296 1.00 0.00 H new ATOM 0 HA TYR A 3 2.304 -8.112 0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.548 -6.328 2.633 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.121 -6.559 1.644 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.417 -8.297 4.009 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.365 -8.389 2.045 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.717 -10.161 5.445 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.068 -10.252 3.484 1.00 0.00 H new ATOM 0 HH TYR A 3 1.004 -12.115 5.238 1.00 0.00 H new ATOM 52 N LYS A 4 2.589 -5.848 -0.900 1.00 0.00 N ATOM 53 CA LYS A 4 2.938 -4.686 -1.712 1.00 0.00 C ATOM 54 C LYS A 4 1.779 -3.701 -1.789 1.00 0.00 C ATOM 55 O LYS A 4 0.612 -4.091 -1.735 1.00 0.00 O ATOM 56 CB LYS A 4 3.346 -5.128 -3.121 1.00 0.00 C ATOM 57 CG LYS A 4 4.609 -5.972 -3.150 1.00 0.00 C ATOM 58 CD LYS A 4 5.227 -5.996 -4.540 1.00 0.00 C ATOM 59 CE LYS A 4 6.098 -7.227 -4.741 1.00 0.00 C ATOM 60 NZ LYS A 4 5.450 -8.228 -5.631 1.00 0.00 N ATOM 0 H LYS A 4 1.710 -6.296 -1.159 1.00 0.00 H new ATOM 0 HA LYS A 4 3.780 -4.184 -1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.529 -5.696 -3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.495 -4.244 -3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.330 -5.575 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.376 -6.989 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.437 -5.981 -5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.825 -5.097 -4.689 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.055 -6.928 -5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.309 -7.684 -3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.418 -9.150 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.482 -7.920 -5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.997 -8.315 -6.511 1.00 0.00 H new ATOM 74 N LEU A 5 2.116 -2.424 -1.907 1.00 0.00 N ATOM 75 CA LEU A 5 1.115 -1.372 -1.980 1.00 0.00 C ATOM 76 C LEU A 5 1.387 -0.443 -3.162 1.00 0.00 C ATOM 77 O LEU A 5 2.423 0.220 -3.218 1.00 0.00 O ATOM 78 CB LEU A 5 1.104 -0.583 -0.668 1.00 0.00 C ATOM 79 CG LEU A 5 0.527 0.833 -0.754 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.864 0.804 -1.365 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.489 1.479 0.623 1.00 0.00 C ATOM 0 H LEU A 5 3.079 -2.092 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 5 0.136 -1.827 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.531 -1.146 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.126 -0.518 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 5 1.175 1.430 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.259 1.818 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.812 0.381 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.520 0.191 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.076 2.485 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.136 0.883 1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.500 1.533 1.027 1.00 0.00 H new ATOM 93 N ILE A 6 0.448 -0.398 -4.102 1.00 0.00 N ATOM 94 CA ILE A 6 0.584 0.451 -5.278 1.00 0.00 C ATOM 95 C ILE A 6 -0.165 1.766 -5.093 1.00 0.00 C ATOM 96 O ILE A 6 -1.396 1.795 -5.070 1.00 0.00 O ATOM 97 CB ILE A 6 0.069 -0.256 -6.547 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.730 -1.624 -6.697 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.328 0.600 -7.779 1.00 0.00 C ATOM 100 CD1 ILE A 6 2.232 -1.547 -6.791 1.00 0.00 C ATOM 0 H ILE A 6 -0.415 -0.940 -4.071 1.00 0.00 H new ATOM 0 HA ILE A 6 1.647 0.658 -5.400 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.007 -0.399 -6.450 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.457 -2.248 -5.846 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.341 -2.113 -7.590 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.042 0.084 -8.665 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.187 1.555 -7.673 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.399 0.775 -7.882 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.642 -2.551 -6.896 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.512 -0.948 -7.658 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.630 -1.085 -5.887 1.00 0.00 H new ATOM 112 N LEU A 7 0.587 2.853 -4.955 1.00 0.00 N ATOM 113 CA LEU A 7 -0.001 4.173 -4.767 1.00 0.00 C ATOM 114 C LEU A 7 0.041 4.976 -6.063 1.00 0.00 C ATOM 115 O LEU A 7 1.089 5.100 -6.694 1.00 0.00 O ATOM 116 CB LEU A 7 0.738 4.931 -3.663 1.00 0.00 C ATOM 117 CG LEU A 7 1.074 4.103 -2.422 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.376 4.580 -1.796 1.00 0.00 C ATOM 119 CD2 LEU A 7 -0.062 4.175 -1.411 1.00 0.00 C ATOM 0 H LEU A 7 1.607 2.845 -4.970 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.043 4.041 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.664 5.331 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.130 5.783 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 7 1.201 3.064 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.598 3.978 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.186 4.478 -2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.278 5.626 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.193 3.580 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.219 5.212 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.975 3.785 -1.861 1.00 0.00 H new ATOM 131 N ASN A 8 -1.107 5.521 -6.452 1.00 0.00 N ATOM 132 CA ASN A 8 -1.200 6.313 -7.673 1.00 0.00 C ATOM 133 C ASN A 8 -1.826 7.675 -7.389 1.00 0.00 C ATOM 134 O ASN A 8 -3.039 7.788 -7.214 1.00 0.00 O ATOM 135 CB ASN A 8 -2.025 5.572 -8.727 1.00 0.00 C ATOM 136 CG ASN A 8 -1.596 4.125 -8.881 1.00 0.00 C ATOM 137 OD1 ASN A 8 -2.430 3.231 -9.019 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.289 3.888 -8.857 1.00 0.00 N ATOM 0 H ASN A 8 -1.985 5.429 -5.940 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.190 6.467 -8.054 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.079 5.609 -8.452 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.928 6.082 -9.686 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.058 2.934 -8.955 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.367 4.660 -8.740 1.00 0.00 H new ATOM 145 N LEU A 9 -0.991 8.700 -7.338 1.00 0.00 N ATOM 146 CA LEU A 9 -1.465 10.061 -7.078 1.00 0.00 C ATOM 147 C LEU A 9 -1.539 10.869 -8.363 1.00 0.00 C ATOM 148 O LEU A 9 -1.159 10.400 -9.436 1.00 0.00 O ATOM 149 CB LEU A 9 -0.554 10.755 -6.064 1.00 0.00 C ATOM 150 CG LEU A 9 0.849 11.099 -6.578 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.217 12.531 -6.221 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.876 10.129 -6.015 1.00 0.00 C ATOM 0 H LEU A 9 0.017 8.622 -7.472 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.470 9.996 -6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.038 11.674 -5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.456 10.113 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 9 0.846 11.007 -7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.216 12.754 -6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.499 13.215 -6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.200 12.652 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.866 10.389 -6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.874 10.188 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.625 9.114 -6.324 1.00 0.00 H new ATOM 164 N LYS A 10 -2.033 12.100 -8.251 1.00 0.00 N ATOM 165 CA LYS A 10 -2.168 12.988 -9.405 1.00 0.00 C ATOM 166 C LYS A 10 -0.838 13.174 -10.128 1.00 0.00 C ATOM 167 O LYS A 10 -0.812 13.537 -11.305 1.00 0.00 O ATOM 168 CB LYS A 10 -2.717 14.344 -8.964 1.00 0.00 C ATOM 169 CG LYS A 10 -1.952 14.962 -7.804 1.00 0.00 C ATOM 170 CD LYS A 10 -1.316 16.288 -8.196 1.00 0.00 C ATOM 171 CE LYS A 10 -2.244 17.451 -7.905 1.00 0.00 C ATOM 172 NZ LYS A 10 -1.526 18.758 -7.962 1.00 0.00 N ATOM 0 H LYS A 10 -2.348 12.507 -7.370 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.866 12.524 -10.102 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.692 15.030 -9.811 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.762 14.228 -8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.628 15.116 -6.963 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.178 14.272 -7.469 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.381 16.421 -7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.067 16.275 -9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.062 17.453 -8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.689 17.323 -6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.193 19.530 -7.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.762 18.765 -7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.123 18.891 -8.911 1.00 0.00 H new ATOM 186 N GLN A 11 0.268 12.941 -9.426 1.00 0.00 N ATOM 187 CA GLN A 11 1.591 13.099 -10.016 1.00 0.00 C ATOM 188 C GLN A 11 2.513 11.950 -9.640 1.00 0.00 C ATOM 189 O GLN A 11 2.925 11.815 -8.483 1.00 0.00 O ATOM 190 CB GLN A 11 2.211 14.426 -9.575 1.00 0.00 C ATOM 191 CG GLN A 11 2.963 15.151 -10.692 1.00 0.00 C ATOM 192 CD GLN A 11 4.423 15.392 -10.358 1.00 0.00 C ATOM 193 OE1 GLN A 11 4.760 16.320 -9.625 1.00 0.00 O ATOM 194 NE2 GLN A 11 5.297 14.541 -10.888 1.00 0.00 N ATOM 0 H GLN A 11 0.273 12.643 -8.451 1.00 0.00 H new ATOM 0 HA GLN A 11 1.471 13.095 -11.099 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.423 15.077 -9.196 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.896 14.240 -8.748 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.897 14.565 -11.608 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.478 16.107 -10.889 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.972 13.785 -11.491 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.293 14.644 -10.691 1.00 0.00 H new ATOM 203 N ALA A 12 2.835 11.111 -10.620 1.00 0.00 N ATOM 204 CA ALA A 12 3.714 9.966 -10.399 1.00 0.00 C ATOM 205 C ALA A 12 3.082 8.954 -9.455 1.00 0.00 C ATOM 206 O ALA A 12 1.978 9.156 -8.948 1.00 0.00 O ATOM 207 CB ALA A 12 5.058 10.430 -9.857 1.00 0.00 C ATOM 0 H ALA A 12 2.499 11.203 -11.579 1.00 0.00 H new ATOM 0 HA ALA A 12 3.870 9.473 -11.359 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.703 9.566 -9.697 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.526 11.105 -10.574 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.909 10.952 -8.912 1.00 0.00 H new ATOM 213 N LYS A 13 3.792 7.855 -9.220 1.00 0.00 N ATOM 214 CA LYS A 13 3.306 6.803 -8.338 1.00 0.00 C ATOM 215 C LYS A 13 4.432 6.261 -7.465 1.00 0.00 C ATOM 216 O LYS A 13 5.589 6.213 -7.884 1.00 0.00 O ATOM 217 CB LYS A 13 2.689 5.667 -9.156 1.00 0.00 C ATOM 218 CG LYS A 13 3.636 5.075 -10.186 1.00 0.00 C ATOM 219 CD LYS A 13 3.055 3.823 -10.822 1.00 0.00 C ATOM 220 CE LYS A 13 4.139 2.967 -11.458 1.00 0.00 C ATOM 221 NZ LYS A 13 3.777 1.523 -11.460 1.00 0.00 N ATOM 0 H LYS A 13 4.708 7.671 -9.630 1.00 0.00 H new ATOM 0 HA LYS A 13 2.542 7.232 -7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.363 4.878 -8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.799 6.038 -9.664 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.843 5.815 -10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.588 4.835 -9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.527 3.241 -10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.322 4.104 -11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.310 3.300 -12.482 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.075 3.106 -10.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.542 0.974 -11.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.638 1.198 -10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.897 1.386 -11.998 1.00 0.00 H new ATOM 235 N GLU A 14 4.088 5.852 -6.248 1.00 0.00 N ATOM 236 CA GLU A 14 5.069 5.310 -5.314 1.00 0.00 C ATOM 237 C GLU A 14 4.713 3.878 -4.926 1.00 0.00 C ATOM 238 O GLU A 14 3.544 3.555 -4.717 1.00 0.00 O ATOM 239 CB GLU A 14 5.154 6.189 -4.063 1.00 0.00 C ATOM 240 CG GLU A 14 6.569 6.622 -3.720 1.00 0.00 C ATOM 241 CD GLU A 14 7.001 7.852 -4.477 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.780 7.901 -5.705 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.561 8.776 -3.847 1.00 0.00 O ATOM 0 H GLU A 14 3.135 5.886 -5.885 1.00 0.00 H new ATOM 0 HA GLU A 14 6.041 5.302 -5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.537 7.076 -4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.734 5.644 -3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.635 6.817 -2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.257 5.806 -3.938 1.00 0.00 H new ATOM 250 N GLU A 15 5.727 3.023 -4.834 1.00 0.00 N ATOM 251 CA GLU A 15 5.515 1.627 -4.474 1.00 0.00 C ATOM 252 C GLU A 15 5.981 1.346 -3.050 1.00 0.00 C ATOM 253 O GLU A 15 7.155 1.519 -2.724 1.00 0.00 O ATOM 254 CB GLU A 15 6.254 0.705 -5.446 1.00 0.00 C ATOM 255 CG GLU A 15 5.592 0.604 -6.811 1.00 0.00 C ATOM 256 CD GLU A 15 5.932 -0.687 -7.530 1.00 0.00 C ATOM 257 OE1 GLU A 15 5.814 -1.763 -6.906 1.00 0.00 O ATOM 258 OE2 GLU A 15 6.316 -0.622 -8.716 1.00 0.00 O ATOM 0 H GLU A 15 6.701 3.273 -5.004 1.00 0.00 H new ATOM 0 HA GLU A 15 4.444 1.431 -4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.274 1.067 -5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.321 -0.291 -5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.511 0.676 -6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.902 1.450 -7.425 1.00 0.00 H new ATOM 265 N ALA A 16 5.054 0.901 -2.209 1.00 0.00 N ATOM 266 CA ALA A 16 5.369 0.583 -0.824 1.00 0.00 C ATOM 267 C ALA A 16 5.314 -0.922 -0.598 1.00 0.00 C ATOM 268 O ALA A 16 4.350 -1.581 -0.986 1.00 0.00 O ATOM 269 CB ALA A 16 4.413 1.296 0.118 1.00 0.00 C ATOM 0 H ALA A 16 4.078 0.753 -2.464 1.00 0.00 H new ATOM 0 HA ALA A 16 6.381 0.928 -0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.664 1.046 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.497 2.373 -0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.391 0.981 -0.093 1.00 0.00 H new ATOM 275 N ILE A 17 6.353 -1.463 0.022 1.00 0.00 N ATOM 276 CA ILE A 17 6.415 -2.894 0.286 1.00 0.00 C ATOM 277 C ILE A 17 7.025 -3.183 1.650 1.00 0.00 C ATOM 278 O ILE A 17 7.696 -2.334 2.237 1.00 0.00 O ATOM 279 CB ILE A 17 7.217 -3.633 -0.806 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.699 -3.247 -0.745 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.642 -3.328 -2.183 1.00 0.00 C ATOM 282 CD1 ILE A 17 8.963 -1.791 -1.063 1.00 0.00 C ATOM 0 H ILE A 17 7.162 -0.935 0.351 1.00 0.00 H new ATOM 0 HA ILE A 17 5.389 -3.261 0.277 1.00 0.00 H new ATOM 0 HB ILE A 17 7.137 -4.705 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.082 -3.467 0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.256 -3.869 -1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.218 -3.856 -2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.603 -3.654 -2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.693 -2.255 -2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.033 -1.593 -1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.612 -1.569 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.435 -1.161 -0.348 1.00 0.00 H new ATOM 294 N LYS A 18 6.773 -4.385 2.152 1.00 0.00 N ATOM 295 CA LYS A 18 7.283 -4.787 3.453 1.00 0.00 C ATOM 296 C LYS A 18 7.088 -6.286 3.667 1.00 0.00 C ATOM 297 O LYS A 18 6.151 -6.882 3.135 1.00 0.00 O ATOM 298 CB LYS A 18 6.569 -3.987 4.547 1.00 0.00 C ATOM 299 CG LYS A 18 6.769 -4.530 5.956 1.00 0.00 C ATOM 300 CD LYS A 18 8.176 -4.253 6.464 1.00 0.00 C ATOM 301 CE LYS A 18 8.446 -4.988 7.764 1.00 0.00 C ATOM 302 NZ LYS A 18 7.415 -4.706 8.795 1.00 0.00 N ATOM 0 H LYS A 18 6.219 -5.097 1.677 1.00 0.00 H new ATOM 0 HA LYS A 18 8.352 -4.580 3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.921 -2.956 4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.502 -3.966 4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.042 -4.076 6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.583 -5.604 5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.903 -4.559 5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.306 -3.181 6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.481 -6.060 7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.426 -4.700 8.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.741 -5.058 9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.254 -3.680 8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.527 -5.182 8.537 1.00 0.00 H new ATOM 316 N GLU A 19 7.976 -6.889 4.449 1.00 0.00 N ATOM 317 CA GLU A 19 7.901 -8.318 4.732 1.00 0.00 C ATOM 318 C GLU A 19 7.334 -8.567 6.126 1.00 0.00 C ATOM 319 O GLU A 19 7.938 -8.187 7.129 1.00 0.00 O ATOM 320 CB GLU A 19 9.285 -8.957 4.610 1.00 0.00 C ATOM 321 CG GLU A 19 10.058 -8.504 3.383 1.00 0.00 C ATOM 322 CD GLU A 19 11.287 -9.352 3.123 1.00 0.00 C ATOM 323 OE1 GLU A 19 11.148 -10.427 2.502 1.00 0.00 O ATOM 324 OE2 GLU A 19 12.391 -8.940 3.540 1.00 0.00 O ATOM 0 H GLU A 19 8.757 -6.411 4.899 1.00 0.00 H new ATOM 0 HA GLU A 19 7.233 -8.773 4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.865 -8.721 5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.174 -10.041 4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.404 -8.542 2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.359 -7.464 3.511 1.00 0.00 H new ATOM 331 N ALA A 20 6.171 -9.207 6.182 1.00 0.00 N ATOM 332 CA ALA A 20 5.524 -9.506 7.452 1.00 0.00 C ATOM 333 C ALA A 20 4.903 -10.899 7.440 1.00 0.00 C ATOM 334 O ALA A 20 4.348 -11.332 6.432 1.00 0.00 O ATOM 335 CB ALA A 20 4.466 -8.459 7.764 1.00 0.00 C ATOM 0 H ALA A 20 5.658 -9.528 5.361 1.00 0.00 H new ATOM 0 HA ALA A 20 6.285 -9.483 8.232 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.990 -8.695 8.716 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.934 -7.476 7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.715 -8.454 6.974 1.00 0.00 H new ATOM 341 N VAL A 21 5.005 -11.596 8.568 1.00 0.00 N ATOM 342 CA VAL A 21 4.455 -12.942 8.685 1.00 0.00 C ATOM 343 C VAL A 21 2.947 -12.949 8.437 1.00 0.00 C ATOM 344 O VAL A 21 2.428 -13.831 7.755 1.00 0.00 O ATOM 345 CB VAL A 21 4.740 -13.551 10.071 1.00 0.00 C ATOM 346 CG1 VAL A 21 6.222 -13.860 10.223 1.00 0.00 C ATOM 347 CG2 VAL A 21 4.267 -12.618 11.177 1.00 0.00 C ATOM 0 H VAL A 21 5.462 -11.252 9.412 1.00 0.00 H new ATOM 0 HA VAL A 21 4.947 -13.548 7.924 1.00 0.00 H new ATOM 0 HB VAL A 21 4.185 -14.485 10.156 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.405 -14.289 11.208 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.526 -14.571 9.455 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.798 -12.941 10.115 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.478 -13.068 12.147 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.790 -11.665 11.097 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.194 -12.453 11.079 1.00 0.00 H new ATOM 357 N ASP A 22 2.251 -11.963 8.996 1.00 0.00 N ATOM 358 CA ASP A 22 0.805 -11.862 8.832 1.00 0.00 C ATOM 359 C ASP A 22 0.441 -10.635 7.998 1.00 0.00 C ATOM 360 O ASP A 22 1.305 -10.023 7.371 1.00 0.00 O ATOM 361 CB ASP A 22 0.122 -11.792 10.202 1.00 0.00 C ATOM 362 CG ASP A 22 0.481 -10.535 10.969 1.00 0.00 C ATOM 363 OD1 ASP A 22 1.293 -9.736 10.458 1.00 0.00 O ATOM 364 OD2 ASP A 22 -0.051 -10.348 12.085 1.00 0.00 O ATOM 0 H ASP A 22 2.664 -11.224 9.565 1.00 0.00 H new ATOM 0 HA ASP A 22 0.455 -12.751 8.307 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.959 -11.835 10.068 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.405 -12.665 10.790 1.00 0.00 H new ATOM 369 N ALA A 23 -0.842 -10.276 7.994 1.00 0.00 N ATOM 370 CA ALA A 23 -1.304 -9.121 7.235 1.00 0.00 C ATOM 371 C ALA A 23 -1.512 -7.913 8.140 1.00 0.00 C ATOM 372 O ALA A 23 -1.263 -6.777 7.738 1.00 0.00 O ATOM 373 CB ALA A 23 -2.590 -9.452 6.496 1.00 0.00 C ATOM 0 H ALA A 23 -1.575 -10.767 8.506 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.533 -8.869 6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.922 -8.579 5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.412 -10.280 5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.360 -9.735 7.214 1.00 0.00 H new ATOM 379 N GLY A 24 -1.967 -8.164 9.365 1.00 0.00 N ATOM 380 CA GLY A 24 -2.194 -7.081 10.308 1.00 0.00 C ATOM 381 C GLY A 24 -1.009 -6.140 10.393 1.00 0.00 C ATOM 382 O GLY A 24 -1.171 -4.938 10.602 1.00 0.00 O ATOM 0 H GLY A 24 -2.182 -9.095 9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.080 -6.521 10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.397 -7.497 11.295 1.00 0.00 H new ATOM 386 N THR A 25 0.186 -6.694 10.218 1.00 0.00 N ATOM 387 CA THR A 25 1.410 -5.906 10.264 1.00 0.00 C ATOM 388 C THR A 25 1.625 -5.178 8.942 1.00 0.00 C ATOM 389 O THR A 25 2.236 -4.111 8.902 1.00 0.00 O ATOM 390 CB THR A 25 2.611 -6.804 10.568 1.00 0.00 C ATOM 391 OG1 THR A 25 2.386 -7.562 11.742 1.00 0.00 O ATOM 392 CG2 THR A 25 3.900 -6.035 10.758 1.00 0.00 C ATOM 0 H THR A 25 0.332 -7.688 10.043 1.00 0.00 H new ATOM 0 HA THR A 25 1.313 -5.167 11.059 1.00 0.00 H new ATOM 0 HB THR A 25 2.717 -7.449 9.696 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.978 -8.421 11.504 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.711 -6.731 10.970 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.129 -5.478 9.849 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.790 -5.341 11.591 1.00 0.00 H new ATOM 400 N ALA A 26 1.108 -5.758 7.861 1.00 0.00 N ATOM 401 CA ALA A 26 1.237 -5.159 6.541 1.00 0.00 C ATOM 402 C ALA A 26 0.246 -4.017 6.372 1.00 0.00 C ATOM 403 O ALA A 26 0.575 -2.969 5.817 1.00 0.00 O ATOM 404 CB ALA A 26 1.030 -6.208 5.459 1.00 0.00 C ATOM 0 H ALA A 26 0.597 -6.641 7.876 1.00 0.00 H new ATOM 0 HA ALA A 26 2.245 -4.756 6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.130 -5.743 4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.778 -6.994 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.034 -6.640 5.556 1.00 0.00 H new ATOM 410 N GLU A 27 -0.974 -4.225 6.864 1.00 0.00 N ATOM 411 CA GLU A 27 -2.016 -3.210 6.777 1.00 0.00 C ATOM 412 C GLU A 27 -1.646 -1.987 7.610 1.00 0.00 C ATOM 413 O GLU A 27 -1.560 -0.874 7.094 1.00 0.00 O ATOM 414 CB GLU A 27 -3.354 -3.781 7.251 1.00 0.00 C ATOM 415 CG GLU A 27 -4.500 -2.784 7.177 1.00 0.00 C ATOM 416 CD GLU A 27 -5.708 -3.334 6.441 1.00 0.00 C ATOM 417 OE1 GLU A 27 -6.171 -4.435 6.804 1.00 0.00 O ATOM 418 OE2 GLU A 27 -6.187 -2.663 5.504 1.00 0.00 O ATOM 0 H GLU A 27 -1.263 -5.087 7.326 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.111 -2.905 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.602 -4.653 6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.249 -4.126 8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.794 -2.499 8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.157 -1.878 6.677 1.00 0.00 H new ATOM 425 N LYS A 28 -1.427 -2.205 8.904 1.00 0.00 N ATOM 426 CA LYS A 28 -1.062 -1.120 9.812 1.00 0.00 C ATOM 427 C LYS A 28 0.182 -0.382 9.319 1.00 0.00 C ATOM 428 O LYS A 28 0.263 0.842 9.409 1.00 0.00 O ATOM 429 CB LYS A 28 -0.821 -1.668 11.220 1.00 0.00 C ATOM 430 CG LYS A 28 -2.021 -1.528 12.143 1.00 0.00 C ATOM 431 CD LYS A 28 -1.867 -0.341 13.080 1.00 0.00 C ATOM 432 CE LYS A 28 -2.709 -0.509 14.334 1.00 0.00 C ATOM 433 NZ LYS A 28 -2.364 -1.756 15.072 1.00 0.00 N ATOM 0 H LYS A 28 -1.496 -3.121 9.347 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.890 -0.411 9.839 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.549 -2.721 11.149 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.029 -1.148 11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.927 -1.409 11.548 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.141 -2.441 12.727 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.819 -0.228 13.357 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.160 0.573 12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.563 0.351 14.987 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.765 -0.528 14.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.534 -1.616 16.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.956 -2.539 14.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.362 -1.985 14.917 1.00 0.00 H new ATOM 447 N TYR A 29 1.146 -1.133 8.791 1.00 0.00 N ATOM 448 CA TYR A 29 2.379 -0.537 8.281 1.00 0.00 C ATOM 449 C TYR A 29 2.105 0.211 6.981 1.00 0.00 C ATOM 450 O TYR A 29 2.568 1.336 6.790 1.00 0.00 O ATOM 451 CB TYR A 29 3.453 -1.611 8.062 1.00 0.00 C ATOM 452 CG TYR A 29 4.732 -1.077 7.453 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.800 -0.754 6.104 1.00 0.00 C ATOM 454 CD2 TYR A 29 5.871 -0.898 8.228 1.00 0.00 C ATOM 455 CE1 TYR A 29 5.966 -0.267 5.544 1.00 0.00 C ATOM 456 CE2 TYR A 29 7.040 -0.411 7.677 1.00 0.00 C ATOM 457 CZ TYR A 29 7.083 -0.098 6.335 1.00 0.00 C ATOM 458 OH TYR A 29 8.246 0.387 5.782 1.00 0.00 O ATOM 0 H TYR A 29 1.098 -2.148 8.705 1.00 0.00 H new ATOM 0 HA TYR A 29 2.750 0.171 9.022 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.685 -2.081 9.018 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.050 -2.389 7.414 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.927 -0.886 5.482 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.842 -1.144 9.279 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.002 -0.020 4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.916 -0.276 8.294 1.00 0.00 H new ATOM 0 HH TYR A 29 8.937 0.447 6.474 1.00 0.00 H new ATOM 468 N PHE A 30 1.335 -0.413 6.095 1.00 0.00 N ATOM 469 CA PHE A 30 0.986 0.205 4.822 1.00 0.00 C ATOM 470 C PHE A 30 0.178 1.473 5.068 1.00 0.00 C ATOM 471 O PHE A 30 0.415 2.507 4.447 1.00 0.00 O ATOM 472 CB PHE A 30 0.189 -0.770 3.945 1.00 0.00 C ATOM 473 CG PHE A 30 1.033 -1.643 3.048 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.420 -1.635 3.127 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.428 -2.476 2.119 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.181 -2.438 2.299 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.185 -3.280 1.289 1.00 0.00 C ATOM 478 CZ PHE A 30 2.562 -3.261 1.379 1.00 0.00 C ATOM 0 H PHE A 30 0.942 -1.344 6.235 1.00 0.00 H new ATOM 0 HA PHE A 30 1.905 0.463 4.296 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.413 -1.410 4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.504 -0.199 3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.910 -0.993 3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.649 -2.496 2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.258 -2.422 2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.699 -3.923 0.570 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.155 -3.889 0.731 1.00 0.00 H new ATOM 488 N LYS A 31 -0.775 1.382 5.991 1.00 0.00 N ATOM 489 CA LYS A 31 -1.613 2.524 6.334 1.00 0.00 C ATOM 490 C LYS A 31 -0.764 3.707 6.797 1.00 0.00 C ATOM 491 O LYS A 31 -1.107 4.863 6.544 1.00 0.00 O ATOM 492 CB LYS A 31 -2.613 2.136 7.426 1.00 0.00 C ATOM 493 CG LYS A 31 -3.846 3.024 7.463 1.00 0.00 C ATOM 494 CD LYS A 31 -3.623 4.259 8.323 1.00 0.00 C ATOM 495 CE LYS A 31 -4.448 4.208 9.598 1.00 0.00 C ATOM 496 NZ LYS A 31 -5.906 4.106 9.314 1.00 0.00 N ATOM 0 H LYS A 31 -0.985 0.531 6.513 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.159 2.825 5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.924 1.103 7.272 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.115 2.178 8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.106 3.328 6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.692 2.457 7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.566 4.341 8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.885 5.151 7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.135 3.354 10.199 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.256 5.102 10.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.442 4.564 10.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.118 4.578 8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.178 3.104 9.252 1.00 0.00 H new ATOM 510 N LEU A 32 0.344 3.416 7.479 1.00 0.00 N ATOM 511 CA LEU A 32 1.233 4.458 7.974 1.00 0.00 C ATOM 512 C LEU A 32 1.949 5.163 6.823 1.00 0.00 C ATOM 513 O LEU A 32 2.135 6.380 6.853 1.00 0.00 O ATOM 514 CB LEU A 32 2.253 3.861 8.947 1.00 0.00 C ATOM 515 CG LEU A 32 1.692 3.376 10.293 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.388 4.087 11.439 1.00 0.00 C ATOM 517 CD2 LEU A 32 0.183 3.584 10.385 1.00 0.00 C ATOM 0 H LEU A 32 0.644 2.466 7.699 1.00 0.00 H new ATOM 0 HA LEU A 32 0.630 5.198 8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.746 3.021 8.457 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.020 4.610 9.144 1.00 0.00 H new ATOM 0 HG LEU A 32 1.884 2.305 10.363 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.981 3.734 12.387 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.457 3.877 11.402 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.226 5.161 11.352 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.175 3.229 11.351 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.045 4.645 10.281 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.310 3.027 9.588 1.00 0.00 H new ATOM 529 N ILE A 33 2.342 4.399 5.807 1.00 0.00 N ATOM 530 CA ILE A 33 3.029 4.965 4.654 1.00 0.00 C ATOM 531 C ILE A 33 2.033 5.570 3.672 1.00 0.00 C ATOM 532 O ILE A 33 2.306 6.591 3.043 1.00 0.00 O ATOM 533 CB ILE A 33 3.888 3.909 3.926 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.699 4.559 2.804 1.00 0.00 C ATOM 535 CG2 ILE A 33 3.012 2.793 3.377 1.00 0.00 C ATOM 536 CD1 ILE A 33 6.144 4.817 3.175 1.00 0.00 C ATOM 0 H ILE A 33 2.196 3.391 5.760 1.00 0.00 H new ATOM 0 HA ILE A 33 3.688 5.748 5.030 1.00 0.00 H new ATOM 0 HB ILE A 33 4.583 3.476 4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.667 3.916 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.229 5.503 2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.635 2.058 2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.480 2.311 4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.292 3.209 2.672 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.659 5.279 2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.185 5.484 4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.630 3.874 3.424 1.00 0.00 H new ATOM 548 N ALA A 34 0.870 4.937 3.555 1.00 0.00 N ATOM 549 CA ALA A 34 -0.172 5.419 2.657 1.00 0.00 C ATOM 550 C ALA A 34 -0.683 6.781 3.111 1.00 0.00 C ATOM 551 O ALA A 34 -0.528 7.778 2.410 1.00 0.00 O ATOM 552 CB ALA A 34 -1.315 4.419 2.588 1.00 0.00 C ATOM 0 H ALA A 34 0.626 4.091 4.070 1.00 0.00 H new ATOM 0 HA ALA A 34 0.255 5.528 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.085 4.793 1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.941 3.464 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.739 4.282 3.583 1.00 0.00 H new ATOM 558 N ASN A 35 -1.290 6.814 4.293 1.00 0.00 N ATOM 559 CA ASN A 35 -1.824 8.054 4.845 1.00 0.00 C ATOM 560 C ASN A 35 -0.736 9.119 4.974 1.00 0.00 C ATOM 561 O ASN A 35 -0.998 10.308 4.796 1.00 0.00 O ATOM 562 CB ASN A 35 -2.460 7.793 6.212 1.00 0.00 C ATOM 563 CG ASN A 35 -3.928 7.418 6.111 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.734 7.793 6.962 1.00 0.00 O ATOM 565 ND2 ASN A 35 -4.287 6.674 5.067 1.00 0.00 N ATOM 0 H ASN A 35 -1.424 5.996 4.887 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.584 8.425 4.157 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.918 6.992 6.714 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.358 8.684 6.832 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.261 6.394 4.951 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.588 6.384 4.383 1.00 0.00 H new ATOM 572 N ALA A 36 0.485 8.690 5.287 1.00 0.00 N ATOM 573 CA ALA A 36 1.602 9.615 5.442 1.00 0.00 C ATOM 574 C ALA A 36 1.975 10.269 4.113 1.00 0.00 C ATOM 575 O ALA A 36 1.963 11.493 3.990 1.00 0.00 O ATOM 576 CB ALA A 36 2.805 8.893 6.029 1.00 0.00 C ATOM 0 H ALA A 36 0.724 7.710 5.438 1.00 0.00 H new ATOM 0 HA ALA A 36 1.290 10.404 6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.632 9.594 6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.543 8.484 7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.103 8.083 5.364 1.00 0.00 H new ATOM 582 N LYS A 37 2.312 9.446 3.126 1.00 0.00 N ATOM 583 CA LYS A 37 2.696 9.953 1.809 1.00 0.00 C ATOM 584 C LYS A 37 1.500 10.011 0.855 1.00 0.00 C ATOM 585 O LYS A 37 1.670 10.082 -0.361 1.00 0.00 O ATOM 586 CB LYS A 37 3.834 9.100 1.211 1.00 0.00 C ATOM 587 CG LYS A 37 3.385 7.859 0.440 1.00 0.00 C ATOM 588 CD LYS A 37 4.341 7.539 -0.699 1.00 0.00 C ATOM 589 CE LYS A 37 4.262 8.576 -1.808 1.00 0.00 C ATOM 590 NZ LYS A 37 2.875 8.728 -2.330 1.00 0.00 N ATOM 0 H LYS A 37 2.328 8.430 3.210 1.00 0.00 H new ATOM 0 HA LYS A 37 3.058 10.973 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.424 9.728 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.494 8.786 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.327 7.008 1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.383 8.018 0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.361 7.493 -0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.108 6.554 -1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.616 9.536 -1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.927 8.288 -2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.909 9.085 -3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.395 7.805 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.351 9.400 -1.734 1.00 0.00 H new ATOM 604 N THR A 38 0.294 9.986 1.415 1.00 0.00 N ATOM 605 CA THR A 38 -0.923 10.041 0.609 1.00 0.00 C ATOM 606 C THR A 38 -2.127 10.406 1.471 1.00 0.00 C ATOM 607 O THR A 38 -2.201 10.032 2.641 1.00 0.00 O ATOM 608 CB THR A 38 -1.166 8.695 -0.080 1.00 0.00 C ATOM 609 OG1 THR A 38 0.040 7.958 -0.186 1.00 0.00 O ATOM 610 CG2 THR A 38 -1.743 8.832 -1.474 1.00 0.00 C ATOM 0 H THR A 38 0.133 9.928 2.421 1.00 0.00 H new ATOM 0 HA THR A 38 -0.792 10.812 -0.150 1.00 0.00 H new ATOM 0 HB THR A 38 -1.891 8.177 0.548 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.285 7.604 0.694 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.891 7.842 -1.906 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.700 9.352 -1.422 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.054 9.401 -2.099 1.00 0.00 H new ATOM 618 N VAL A 39 -3.067 11.142 0.886 1.00 0.00 N ATOM 619 CA VAL A 39 -4.266 11.558 1.605 1.00 0.00 C ATOM 620 C VAL A 39 -5.504 11.470 0.717 1.00 0.00 C ATOM 621 O VAL A 39 -6.461 12.224 0.894 1.00 0.00 O ATOM 622 CB VAL A 39 -4.132 12.995 2.139 1.00 0.00 C ATOM 623 CG1 VAL A 39 -5.266 13.317 3.099 1.00 0.00 C ATOM 624 CG2 VAL A 39 -2.781 13.196 2.811 1.00 0.00 C ATOM 0 H VAL A 39 -3.022 11.462 -0.081 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.379 10.875 2.447 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.195 13.681 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.154 14.337 3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.220 13.221 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.239 12.624 3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.707 14.219 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.682 12.500 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.985 13.013 2.089 1.00 0.00 H new ATOM 634 N GLU A 40 -5.479 10.547 -0.239 1.00 0.00 N ATOM 635 CA GLU A 40 -6.601 10.363 -1.154 1.00 0.00 C ATOM 636 C GLU A 40 -6.323 9.230 -2.137 1.00 0.00 C ATOM 637 O GLU A 40 -5.294 9.220 -2.811 1.00 0.00 O ATOM 638 CB GLU A 40 -6.883 11.656 -1.918 1.00 0.00 C ATOM 639 CG GLU A 40 -8.360 11.897 -2.175 1.00 0.00 C ATOM 640 CD GLU A 40 -8.787 13.311 -1.830 1.00 0.00 C ATOM 641 OE1 GLU A 40 -8.625 14.207 -2.686 1.00 0.00 O ATOM 642 OE2 GLU A 40 -9.282 13.523 -0.703 1.00 0.00 O ATOM 0 H GLU A 40 -4.695 9.915 -0.401 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.478 10.100 -0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.478 12.497 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.356 11.628 -2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.580 11.701 -3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.947 11.190 -1.589 1.00 0.00 H new ATOM 649 N GLY A 41 -7.248 8.278 -2.213 1.00 0.00 N ATOM 650 CA GLY A 41 -7.081 7.154 -3.118 1.00 0.00 C ATOM 651 C GLY A 41 -8.129 6.078 -2.907 1.00 0.00 C ATOM 652 O GLY A 41 -8.877 6.115 -1.930 1.00 0.00 O ATOM 0 H GLY A 41 -8.109 8.264 -1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.132 7.510 -4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.089 6.723 -2.978 1.00 0.00 H new ATOM 656 N VAL A 42 -8.177 5.113 -3.820 1.00 0.00 N ATOM 657 CA VAL A 42 -9.130 4.017 -3.722 1.00 0.00 C ATOM 658 C VAL A 42 -8.422 2.737 -3.312 1.00 0.00 C ATOM 659 O VAL A 42 -7.627 2.174 -4.068 1.00 0.00 O ATOM 660 CB VAL A 42 -9.898 3.787 -5.041 1.00 0.00 C ATOM 661 CG1 VAL A 42 -10.897 4.910 -5.278 1.00 0.00 C ATOM 662 CG2 VAL A 42 -8.945 3.660 -6.219 1.00 0.00 C ATOM 0 H VAL A 42 -7.566 5.069 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.858 4.296 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.445 2.848 -4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.430 4.732 -6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.610 4.943 -4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.368 5.861 -5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.516 3.499 -7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.359 4.574 -6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.275 2.816 -6.056 1.00 0.00 H new ATOM 672 N TRP A 43 -8.709 2.301 -2.094 1.00 0.00 N ATOM 673 CA TRP A 43 -8.119 1.115 -1.527 1.00 0.00 C ATOM 674 C TRP A 43 -8.582 -0.143 -2.256 1.00 0.00 C ATOM 675 O TRP A 43 -9.779 -0.354 -2.457 1.00 0.00 O ATOM 676 CB TRP A 43 -8.521 1.052 -0.057 1.00 0.00 C ATOM 677 CG TRP A 43 -7.543 1.729 0.866 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.432 3.077 1.079 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.542 1.111 1.699 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.437 3.333 1.983 1.00 0.00 N ATOM 681 CE2 TRP A 43 -5.876 2.152 2.380 1.00 0.00 C ATOM 682 CE3 TRP A 43 -6.142 -0.213 1.939 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -4.843 1.919 3.278 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -5.094 -0.441 2.849 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.467 0.626 3.501 1.00 0.00 C ATOM 0 H TRP A 43 -9.366 2.772 -1.472 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.035 1.162 -1.630 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.501 1.515 0.063 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.623 0.008 0.238 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.042 3.830 0.602 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.158 4.259 2.309 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.627 -1.037 1.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.352 2.736 3.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.770 -1.452 3.047 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.667 0.422 4.197 1.00 0.00 H new ATOM 696 N THR A 44 -7.625 -0.976 -2.641 1.00 0.00 N ATOM 697 CA THR A 44 -7.920 -2.221 -3.338 1.00 0.00 C ATOM 698 C THR A 44 -6.845 -3.256 -3.040 1.00 0.00 C ATOM 699 O THR A 44 -5.735 -2.903 -2.648 1.00 0.00 O ATOM 700 CB THR A 44 -8.013 -1.979 -4.847 1.00 0.00 C ATOM 701 OG1 THR A 44 -7.000 -1.085 -5.273 1.00 0.00 O ATOM 702 CG2 THR A 44 -9.344 -1.406 -5.282 1.00 0.00 C ATOM 0 H THR A 44 -6.631 -0.811 -2.481 1.00 0.00 H new ATOM 0 HA THR A 44 -8.880 -2.597 -2.985 1.00 0.00 H new ATOM 0 HB THR A 44 -7.893 -2.961 -5.305 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.074 -0.943 -6.240 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.341 -1.259 -6.362 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.143 -2.096 -5.011 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.508 -0.449 -4.786 1.00 0.00 H new ATOM 710 N TYR A 45 -7.169 -4.530 -3.224 1.00 0.00 N ATOM 711 CA TYR A 45 -6.204 -5.595 -2.968 1.00 0.00 C ATOM 712 C TYR A 45 -6.349 -6.728 -3.980 1.00 0.00 C ATOM 713 O TYR A 45 -7.460 -7.121 -4.336 1.00 0.00 O ATOM 714 CB TYR A 45 -6.336 -6.120 -1.524 1.00 0.00 C ATOM 715 CG TYR A 45 -6.060 -7.602 -1.361 1.00 0.00 C ATOM 716 CD1 TYR A 45 -7.012 -8.548 -1.721 1.00 0.00 C ATOM 717 CD2 TYR A 45 -4.851 -8.049 -0.845 1.00 0.00 C ATOM 718 CE1 TYR A 45 -6.765 -9.901 -1.570 1.00 0.00 C ATOM 719 CE2 TYR A 45 -4.597 -9.400 -0.693 1.00 0.00 C ATOM 720 CZ TYR A 45 -5.556 -10.320 -1.056 1.00 0.00 C ATOM 721 OH TYR A 45 -5.308 -11.664 -0.903 1.00 0.00 O ATOM 0 H TYR A 45 -8.082 -4.850 -3.546 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.205 -5.176 -3.084 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.649 -5.564 -0.886 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.344 -5.911 -1.166 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.959 -8.222 -2.125 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.097 -7.331 -0.558 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.515 -10.625 -1.853 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.651 -9.732 -0.292 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.774 -12.165 -1.605 1.00 0.00 H new ATOM 731 N LYS A 46 -5.213 -7.249 -4.432 1.00 0.00 N ATOM 732 CA LYS A 46 -5.202 -8.339 -5.397 1.00 0.00 C ATOM 733 C LYS A 46 -4.792 -9.645 -4.725 1.00 0.00 C ATOM 734 O LYS A 46 -3.809 -9.691 -3.976 1.00 0.00 O ATOM 735 CB LYS A 46 -4.250 -8.026 -6.555 1.00 0.00 C ATOM 736 CG LYS A 46 -4.284 -6.572 -6.998 1.00 0.00 C ATOM 737 CD LYS A 46 -4.246 -6.448 -8.513 1.00 0.00 C ATOM 738 CE LYS A 46 -2.979 -7.055 -9.087 1.00 0.00 C ATOM 739 NZ LYS A 46 -1.960 -6.018 -9.406 1.00 0.00 N ATOM 0 H LYS A 46 -4.287 -6.932 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.211 -8.449 -5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.233 -8.282 -6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.503 -8.661 -7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.187 -6.096 -6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.436 -6.040 -6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.116 -6.945 -8.942 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.308 -5.397 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.562 -7.766 -8.374 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.222 -7.615 -9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.110 -6.474 -9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.348 -5.354 -10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.709 -5.500 -8.540 1.00 0.00 H new ATOM 753 N ASP A 47 -5.561 -10.699 -4.997 1.00 0.00 N ATOM 754 CA ASP A 47 -5.298 -12.015 -4.425 1.00 0.00 C ATOM 755 C ASP A 47 -4.337 -12.809 -5.302 1.00 0.00 C ATOM 756 O ASP A 47 -4.628 -13.090 -6.459 1.00 0.00 O ATOM 757 CB ASP A 47 -6.606 -12.789 -4.253 1.00 0.00 C ATOM 758 CG ASP A 47 -6.473 -13.938 -3.273 1.00 0.00 C ATOM 759 OD1 ASP A 47 -5.525 -13.917 -2.458 1.00 0.00 O ATOM 760 OD2 ASP A 47 -7.317 -14.859 -3.317 1.00 0.00 O ATOM 0 H ASP A 47 -6.374 -10.664 -5.613 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.835 -11.872 -3.448 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.385 -12.109 -3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.926 -13.175 -5.221 1.00 0.00 H new ATOM 765 N GLU A 48 -3.191 -13.162 -4.728 1.00 0.00 N ATOM 766 CA GLU A 48 -2.161 -13.926 -5.429 1.00 0.00 C ATOM 767 C GLU A 48 -0.840 -13.839 -4.680 1.00 0.00 C ATOM 768 O GLU A 48 -0.320 -14.845 -4.194 1.00 0.00 O ATOM 769 CB GLU A 48 -1.978 -13.427 -6.876 1.00 0.00 C ATOM 770 CG GLU A 48 -2.007 -11.908 -7.014 1.00 0.00 C ATOM 771 CD GLU A 48 -2.844 -11.453 -8.196 1.00 0.00 C ATOM 772 OE1 GLU A 48 -4.060 -11.236 -8.011 1.00 0.00 O ATOM 773 OE2 GLU A 48 -2.283 -11.309 -9.301 1.00 0.00 O ATOM 0 H GLU A 48 -2.949 -12.928 -3.765 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.486 -14.966 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.028 -13.799 -7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.764 -13.854 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.406 -11.470 -6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.989 -11.536 -7.128 1.00 0.00 H new ATOM 780 N ILE A 49 -0.313 -12.625 -4.567 1.00 0.00 N ATOM 781 CA ILE A 49 0.932 -12.392 -3.852 1.00 0.00 C ATOM 782 C ILE A 49 0.720 -11.388 -2.723 1.00 0.00 C ATOM 783 O ILE A 49 1.676 -10.809 -2.206 1.00 0.00 O ATOM 784 CB ILE A 49 2.037 -11.874 -4.793 1.00 0.00 C ATOM 785 CG1 ILE A 49 1.604 -10.562 -5.456 1.00 0.00 C ATOM 786 CG2 ILE A 49 2.370 -12.919 -5.836 1.00 0.00 C ATOM 787 CD1 ILE A 49 2.339 -9.349 -4.931 1.00 0.00 C ATOM 0 H ILE A 49 -0.733 -11.784 -4.964 1.00 0.00 H new ATOM 0 HA ILE A 49 1.251 -13.348 -3.437 1.00 0.00 H new ATOM 0 HB ILE A 49 2.934 -11.678 -4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.765 -10.637 -6.531 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.534 -10.423 -5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.152 -12.540 -6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.719 -13.827 -5.343 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.479 -13.144 -6.423 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.982 -8.457 -5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.158 -9.249 -3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.408 -9.466 -5.108 1.00 0.00 H new ATOM 799 N LYS A 50 -0.544 -11.186 -2.344 1.00 0.00 N ATOM 800 CA LYS A 50 -0.885 -10.253 -1.278 1.00 0.00 C ATOM 801 C LYS A 50 -0.447 -8.837 -1.635 1.00 0.00 C ATOM 802 O LYS A 50 0.655 -8.414 -1.285 1.00 0.00 O ATOM 803 CB LYS A 50 -0.228 -10.688 0.033 1.00 0.00 C ATOM 804 CG LYS A 50 -1.142 -11.510 0.928 1.00 0.00 C ATOM 805 CD LYS A 50 -1.525 -12.828 0.273 1.00 0.00 C ATOM 806 CE LYS A 50 -0.325 -13.752 0.130 1.00 0.00 C ATOM 807 NZ LYS A 50 -0.420 -14.931 1.036 1.00 0.00 N ATOM 0 H LYS A 50 -1.346 -11.658 -2.762 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.968 -10.258 -1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.665 -11.271 -0.194 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.099 -9.802 0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.643 -11.706 1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.043 -10.939 1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.295 -13.320 0.867 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.955 -12.635 -0.710 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.250 -14.093 -0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.588 -13.198 0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.417 -15.535 0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.465 -14.607 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.278 -15.474 0.810 1.00 0.00 H new ATOM 821 N THR A 51 -1.310 -8.102 -2.336 1.00 0.00 N ATOM 822 CA THR A 51 -0.976 -6.734 -2.725 1.00 0.00 C ATOM 823 C THR A 51 -2.189 -5.813 -2.662 1.00 0.00 C ATOM 824 O THR A 51 -3.301 -6.200 -3.019 1.00 0.00 O ATOM 825 CB THR A 51 -0.377 -6.712 -4.132 1.00 0.00 C ATOM 826 OG1 THR A 51 -0.303 -5.385 -4.623 1.00 0.00 O ATOM 827 CG2 THR A 51 -1.163 -7.529 -5.133 1.00 0.00 C ATOM 0 H THR A 51 -2.229 -8.424 -2.641 1.00 0.00 H new ATOM 0 HA THR A 51 -0.239 -6.364 -2.012 1.00 0.00 H new ATOM 0 HB THR A 51 0.615 -7.153 -4.030 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.034 -4.783 -3.898 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.682 -7.469 -6.109 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.196 -8.569 -4.808 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.178 -7.139 -5.204 1.00 0.00 H new ATOM 835 N PHE A 52 -1.951 -4.584 -2.213 1.00 0.00 N ATOM 836 CA PHE A 52 -3.005 -3.579 -2.102 1.00 0.00 C ATOM 837 C PHE A 52 -2.669 -2.364 -2.962 1.00 0.00 C ATOM 838 O PHE A 52 -1.518 -2.167 -3.344 1.00 0.00 O ATOM 839 CB PHE A 52 -3.190 -3.150 -0.645 1.00 0.00 C ATOM 840 CG PHE A 52 -3.160 -4.291 0.333 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.982 -4.974 0.585 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.312 -4.678 1.001 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.952 -6.022 1.486 1.00 0.00 C ATOM 844 CE2 PHE A 52 -4.288 -5.725 1.900 1.00 0.00 C ATOM 845 CZ PHE A 52 -3.107 -6.398 2.144 1.00 0.00 C ATOM 0 H PHE A 52 -1.031 -4.258 -1.918 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.937 -4.020 -2.457 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.406 -2.439 -0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.141 -2.626 -0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.077 -4.685 0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.238 -4.154 0.816 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.027 -6.546 1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.192 -6.018 2.412 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.086 -7.217 2.848 1.00 0.00 H new ATOM 855 N THR A 53 -3.675 -1.551 -3.270 1.00 0.00 N ATOM 856 CA THR A 53 -3.455 -0.362 -4.088 1.00 0.00 C ATOM 857 C THR A 53 -4.384 0.781 -3.681 1.00 0.00 C ATOM 858 O THR A 53 -5.514 0.557 -3.249 1.00 0.00 O ATOM 859 CB THR A 53 -3.652 -0.702 -5.575 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.719 -1.682 -5.998 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.519 0.491 -6.510 1.00 0.00 C ATOM 0 H THR A 53 -4.640 -1.691 -2.970 1.00 0.00 H new ATOM 0 HA THR A 53 -2.430 -0.030 -3.926 1.00 0.00 H new ATOM 0 HB THR A 53 -4.676 -1.070 -5.638 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.864 -1.884 -6.946 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.672 0.166 -7.539 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.267 1.241 -6.252 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.523 0.922 -6.410 1.00 0.00 H new ATOM 869 N VAL A 54 -3.897 2.007 -3.843 1.00 0.00 N ATOM 870 CA VAL A 54 -4.672 3.201 -3.519 1.00 0.00 C ATOM 871 C VAL A 54 -4.522 4.240 -4.633 1.00 0.00 C ATOM 872 O VAL A 54 -3.480 4.884 -4.769 1.00 0.00 O ATOM 873 CB VAL A 54 -4.265 3.794 -2.139 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.196 4.875 -2.257 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.489 4.336 -1.420 1.00 0.00 C ATOM 0 H VAL A 54 -2.961 2.201 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.721 2.916 -3.445 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.831 2.982 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.950 5.253 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.302 4.454 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.571 5.692 -2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.192 4.748 -0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.948 5.119 -2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.206 3.530 -1.264 1.00 0.00 H new ATOM 885 N THR A 55 -5.557 4.377 -5.452 1.00 0.00 N ATOM 886 CA THR A 55 -5.525 5.316 -6.573 1.00 0.00 C ATOM 887 C THR A 55 -6.457 6.503 -6.341 1.00 0.00 C ATOM 888 O THR A 55 -7.611 6.333 -5.955 1.00 0.00 O ATOM 889 CB THR A 55 -5.906 4.603 -7.870 1.00 0.00 C ATOM 890 OG1 THR A 55 -5.082 3.471 -8.082 1.00 0.00 O ATOM 891 CG2 THR A 55 -5.796 5.488 -9.093 1.00 0.00 C ATOM 0 H THR A 55 -6.428 3.853 -5.364 1.00 0.00 H new ATOM 0 HA THR A 55 -4.507 5.698 -6.653 1.00 0.00 H new ATOM 0 HB THR A 55 -6.949 4.312 -7.744 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.214 3.759 -8.435 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.080 4.921 -9.979 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.460 6.346 -8.982 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.768 5.836 -9.199 1.00 0.00 H new ATOM 899 N GLU A 56 -5.947 7.705 -6.591 1.00 0.00 N ATOM 900 CA GLU A 56 -6.736 8.920 -6.419 1.00 0.00 C ATOM 901 C GLU A 56 -7.506 9.246 -7.690 1.00 0.00 C ATOM 902 O GLU A 56 -6.946 9.045 -8.791 1.00 0.00 O ATOM 903 CB GLU A 56 -5.830 10.092 -6.034 1.00 0.00 C ATOM 904 CG GLU A 56 -6.569 11.413 -5.886 1.00 0.00 C ATOM 905 CD GLU A 56 -6.030 12.486 -6.801 1.00 0.00 C ATOM 906 OE1 GLU A 56 -4.819 12.458 -7.106 1.00 0.00 O ATOM 907 OE2 GLU A 56 -6.818 13.361 -7.217 1.00 0.00 O ATOM 908 OXT GLU A 56 -8.662 9.709 -7.581 1.00 0.00 O ATOM 0 H GLU A 56 -4.992 7.864 -6.913 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.453 8.752 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.329 9.859 -5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.053 10.203 -6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.627 11.259 -6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.496 11.752 -4.853 1.00 0.00 H new TER 915 GLU A 56