USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 437 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 9 ASN : amide:sc= -0.44 K(o=-1.2,f=1.1) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.746 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 THR OG1 : rot 94:sc= 0.149 USER MOD Set 3.1: A 45 THR OG1 : rot -9:sc= -0.326 USER MOD Set 3.2: A 54 THR OG1 : rot 149:sc= 0.58 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 0.0591 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0309 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 144:sc= 0.99 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 27:sc= 0.416 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0265 X(o=-0.027,f=-0.22) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.472 X(o=-0.47,f=0) USER MOD Single : A 38 ASN : amide:sc=-0.00292 X(o=-0.0029,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.267 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.890 -15.637 7.147 1.00 0.00 N ATOM 2 CA MET A 1 -1.765 -14.192 7.499 1.00 0.00 C ATOM 3 C MET A 1 -2.038 -13.324 6.268 1.00 0.00 C ATOM 4 O MET A 1 -2.011 -13.796 5.147 1.00 0.00 O ATOM 5 CB MET A 1 -0.319 -14.022 7.968 1.00 0.00 C ATOM 6 CG MET A 1 -0.244 -14.226 9.483 1.00 0.00 C ATOM 7 SD MET A 1 -0.639 -12.671 10.321 1.00 0.00 S ATOM 8 CE MET A 1 -1.285 -13.394 11.849 1.00 0.00 C ATOM 0 H1 MET A 1 -1.243 -16.196 7.739 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.868 -15.951 7.311 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.646 -15.773 6.145 1.00 0.00 H new ATOM 0 HA MET A 1 -2.479 -13.889 8.265 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.325 -14.741 7.462 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.045 -13.028 7.706 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.942 -15.005 9.791 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.754 -14.561 9.767 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.594 -12.598 12.526 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.142 -14.027 11.618 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.509 -13.993 12.325 1.00 0.00 H new ATOM 20 N THR A 2 -2.302 -12.057 6.472 1.00 0.00 N ATOM 21 CA THR A 2 -2.579 -11.149 5.319 1.00 0.00 C ATOM 22 C THR A 2 -1.665 -9.922 5.378 1.00 0.00 C ATOM 23 O THR A 2 -2.085 -8.812 5.110 1.00 0.00 O ATOM 24 CB THR A 2 -4.041 -10.733 5.485 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.849 -11.893 5.623 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.489 -9.939 4.258 1.00 0.00 C ATOM 0 H THR A 2 -2.337 -11.613 7.389 1.00 0.00 H new ATOM 0 HA THR A 2 -2.398 -11.635 4.360 1.00 0.00 H new ATOM 0 HB THR A 2 -4.144 -10.111 6.374 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.786 -11.628 5.731 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.531 -9.643 4.377 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.868 -9.049 4.154 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.387 -10.558 3.367 1.00 0.00 H new ATOM 34 N THR A 3 -0.418 -10.117 5.725 1.00 0.00 N ATOM 35 CA THR A 3 0.532 -8.966 5.803 1.00 0.00 C ATOM 36 C THR A 3 0.831 -8.433 4.399 1.00 0.00 C ATOM 37 O THR A 3 1.783 -8.841 3.761 1.00 0.00 O ATOM 38 CB THR A 3 1.800 -9.537 6.442 1.00 0.00 C ATOM 39 OG1 THR A 3 1.441 -10.380 7.528 1.00 0.00 O ATOM 40 CG2 THR A 3 2.678 -8.393 6.952 1.00 0.00 C ATOM 0 H THR A 3 -0.016 -11.025 5.958 1.00 0.00 H new ATOM 0 HA THR A 3 0.126 -8.135 6.380 1.00 0.00 H new ATOM 0 HB THR A 3 2.353 -10.113 5.700 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.251 -10.748 7.938 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.580 -8.802 7.407 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.953 -7.746 6.119 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.128 -7.815 7.694 1.00 0.00 H new ATOM 48 N PHE A 4 0.022 -7.523 3.916 1.00 0.00 N ATOM 49 CA PHE A 4 0.252 -6.956 2.552 1.00 0.00 C ATOM 50 C PHE A 4 1.429 -5.980 2.577 1.00 0.00 C ATOM 51 O PHE A 4 1.590 -5.215 3.509 1.00 0.00 O ATOM 52 CB PHE A 4 -1.042 -6.223 2.196 1.00 0.00 C ATOM 53 CG PHE A 4 -2.004 -7.188 1.547 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.727 -7.698 0.272 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.170 -7.573 2.217 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.617 -8.594 -0.330 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.059 -8.469 1.612 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.783 -8.979 0.339 1.00 0.00 C ATOM 0 H PHE A 4 -0.789 -7.148 4.408 1.00 0.00 H new ATOM 0 HA PHE A 4 0.493 -7.729 1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.489 -5.795 3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.829 -5.395 1.520 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.827 -7.400 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.384 -7.179 3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.403 -8.989 -1.312 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.959 -8.767 2.129 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.470 -9.670 -0.127 1.00 0.00 H new ATOM 68 N LYS A 5 2.251 -6.004 1.559 1.00 0.00 N ATOM 69 CA LYS A 5 3.422 -5.078 1.513 1.00 0.00 C ATOM 70 C LYS A 5 3.181 -3.976 0.479 1.00 0.00 C ATOM 71 O LYS A 5 2.147 -3.933 -0.161 1.00 0.00 O ATOM 72 CB LYS A 5 4.607 -5.953 1.092 1.00 0.00 C ATOM 73 CG LYS A 5 4.816 -7.078 2.115 1.00 0.00 C ATOM 74 CD LYS A 5 4.277 -8.397 1.551 1.00 0.00 C ATOM 75 CE LYS A 5 5.336 -9.038 0.651 1.00 0.00 C ATOM 76 NZ LYS A 5 5.027 -10.495 0.673 1.00 0.00 N ATOM 0 H LYS A 5 2.161 -6.627 0.756 1.00 0.00 H new ATOM 0 HA LYS A 5 3.597 -4.588 2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.424 -6.377 0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.509 -5.346 1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.876 -7.178 2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.306 -6.834 3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.018 -9.074 2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.364 -8.216 0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.287 -8.639 -0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.342 -8.842 1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.711 -11.004 0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.088 -10.848 1.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.066 -10.652 0.307 1.00 0.00 H new ATOM 90 N LEU A 6 4.128 -3.087 0.308 1.00 0.00 N ATOM 91 CA LEU A 6 3.956 -1.987 -0.689 1.00 0.00 C ATOM 92 C LEU A 6 5.313 -1.421 -1.108 1.00 0.00 C ATOM 93 O LEU A 6 5.997 -0.798 -0.317 1.00 0.00 O ATOM 94 CB LEU A 6 3.151 -0.894 0.040 1.00 0.00 C ATOM 95 CG LEU A 6 2.421 0.075 -0.939 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.417 1.482 -0.337 1.00 0.00 C ATOM 97 CD2 LEU A 6 3.102 0.153 -2.319 1.00 0.00 C ATOM 0 H LEU A 6 5.012 -3.076 0.816 1.00 0.00 H new ATOM 0 HA LEU A 6 3.457 -2.344 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.416 -1.365 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.822 -0.320 0.678 1.00 0.00 H new ATOM 0 HG LEU A 6 1.412 -0.312 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.908 2.167 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.897 1.467 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.444 1.816 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.550 0.842 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.126 0.509 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.112 -0.837 -2.776 1.00 0.00 H new ATOM 109 N ILE A 7 5.684 -1.584 -2.354 1.00 0.00 N ATOM 110 CA ILE A 7 6.969 -1.002 -2.823 1.00 0.00 C ATOM 111 C ILE A 7 6.712 0.466 -3.126 1.00 0.00 C ATOM 112 O ILE A 7 5.830 0.795 -3.901 1.00 0.00 O ATOM 113 CB ILE A 7 7.346 -1.764 -4.098 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.525 -3.258 -3.780 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.653 -1.192 -4.663 1.00 0.00 C ATOM 116 CD1 ILE A 7 8.639 -3.456 -2.743 1.00 0.00 C ATOM 0 H ILE A 7 5.152 -2.093 -3.060 1.00 0.00 H new ATOM 0 HA ILE A 7 7.773 -1.080 -2.092 1.00 0.00 H new ATOM 0 HB ILE A 7 6.551 -1.652 -4.836 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.590 -3.670 -3.401 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.767 -3.804 -4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.924 -1.732 -5.570 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.517 -0.136 -4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.447 -1.301 -3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.753 -4.519 -2.529 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.576 -3.063 -3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.380 -2.927 -1.826 1.00 0.00 H new ATOM 128 N ILE A 8 7.435 1.352 -2.500 1.00 0.00 N ATOM 129 CA ILE A 8 7.178 2.799 -2.739 1.00 0.00 C ATOM 130 C ILE A 8 8.024 3.308 -3.908 1.00 0.00 C ATOM 131 O ILE A 8 9.232 3.411 -3.811 1.00 0.00 O ATOM 132 CB ILE A 8 7.564 3.552 -1.458 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.031 2.837 -0.186 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.003 4.978 -1.541 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.523 3.054 -0.002 1.00 0.00 C ATOM 0 H ILE A 8 8.184 1.141 -1.841 1.00 0.00 H new ATOM 0 HA ILE A 8 6.129 2.959 -2.987 1.00 0.00 H new ATOM 0 HB ILE A 8 8.651 3.576 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.239 1.769 -0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.562 3.210 0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.269 5.527 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.423 5.484 -2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.918 4.937 -1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.188 2.538 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.318 4.120 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.990 2.658 -0.866 1.00 0.00 H new ATOM 147 N ASN A 9 7.394 3.641 -5.005 1.00 0.00 N ATOM 148 CA ASN A 9 8.152 4.162 -6.182 1.00 0.00 C ATOM 149 C ASN A 9 8.102 5.693 -6.193 1.00 0.00 C ATOM 150 O ASN A 9 7.170 6.291 -5.690 1.00 0.00 O ATOM 151 CB ASN A 9 7.430 3.590 -7.402 1.00 0.00 C ATOM 152 CG ASN A 9 8.236 3.899 -8.665 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.051 3.105 -9.090 1.00 0.00 O ATOM 154 ND2 ASN A 9 8.042 5.029 -9.288 1.00 0.00 N ATOM 0 H ASN A 9 6.385 3.574 -5.137 1.00 0.00 H new ATOM 0 HA ASN A 9 9.203 3.875 -6.164 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.306 2.513 -7.292 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.431 4.020 -7.481 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.574 5.245 -10.131 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.358 5.697 -8.932 1.00 0.00 H new ATOM 161 N GLY A 10 9.097 6.330 -6.759 1.00 0.00 N ATOM 162 CA GLY A 10 9.107 7.823 -6.803 1.00 0.00 C ATOM 163 C GLY A 10 10.366 8.352 -6.110 1.00 0.00 C ATOM 164 O GLY A 10 11.431 7.773 -6.217 1.00 0.00 O ATOM 0 H GLY A 10 9.903 5.879 -7.192 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.078 8.166 -7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.217 8.217 -6.312 1.00 0.00 H new ATOM 168 N LYS A 11 10.249 9.447 -5.402 1.00 0.00 N ATOM 169 CA LYS A 11 11.438 10.023 -4.699 1.00 0.00 C ATOM 170 C LYS A 11 11.078 10.429 -3.262 1.00 0.00 C ATOM 171 O LYS A 11 11.746 11.248 -2.659 1.00 0.00 O ATOM 172 CB LYS A 11 11.835 11.252 -5.527 1.00 0.00 C ATOM 173 CG LYS A 11 10.662 12.240 -5.591 1.00 0.00 C ATOM 174 CD LYS A 11 11.044 13.432 -6.473 1.00 0.00 C ATOM 175 CE LYS A 11 11.526 14.590 -5.594 1.00 0.00 C ATOM 176 NZ LYS A 11 10.948 15.813 -6.218 1.00 0.00 N ATOM 0 H LYS A 11 9.381 9.968 -5.280 1.00 0.00 H new ATOM 0 HA LYS A 11 12.253 9.303 -4.621 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.705 11.735 -5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.120 10.946 -6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.778 11.745 -5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.407 12.583 -4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.828 13.143 -7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.186 13.746 -7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.185 14.473 -4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.615 14.638 -5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.234 16.650 -5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.295 15.902 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.910 15.742 -6.225 1.00 0.00 H new ATOM 190 N THR A 12 10.035 9.860 -2.710 1.00 0.00 N ATOM 191 CA THR A 12 9.634 10.206 -1.312 1.00 0.00 C ATOM 192 C THR A 12 9.404 8.930 -0.508 1.00 0.00 C ATOM 193 O THR A 12 8.472 8.202 -0.757 1.00 0.00 O ATOM 194 CB THR A 12 8.333 10.999 -1.450 1.00 0.00 C ATOM 195 OG1 THR A 12 8.444 11.902 -2.542 1.00 0.00 O ATOM 196 CG2 THR A 12 8.073 11.783 -0.162 1.00 0.00 C ATOM 0 H THR A 12 9.442 9.169 -3.169 1.00 0.00 H new ATOM 0 HA THR A 12 10.400 10.780 -0.791 1.00 0.00 H new ATOM 0 HB THR A 12 7.505 10.312 -1.629 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.579 11.972 -2.997 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.146 12.348 -0.261 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.988 11.090 0.675 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.899 12.471 0.019 1.00 0.00 H new ATOM 204 N LEU A 13 10.261 8.666 0.452 1.00 0.00 N ATOM 205 CA LEU A 13 10.137 7.433 1.299 1.00 0.00 C ATOM 206 C LEU A 13 10.263 6.171 0.422 1.00 0.00 C ATOM 207 O LEU A 13 9.710 6.093 -0.658 1.00 0.00 O ATOM 208 CB LEU A 13 8.771 7.567 2.042 1.00 0.00 C ATOM 209 CG LEU A 13 7.683 6.640 1.478 1.00 0.00 C ATOM 210 CD1 LEU A 13 7.805 5.250 2.105 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.304 7.216 1.805 1.00 0.00 C ATOM 0 H LEU A 13 11.054 9.262 0.688 1.00 0.00 H new ATOM 0 HA LEU A 13 10.934 7.333 2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.916 7.345 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.429 8.600 1.977 1.00 0.00 H new ATOM 0 HG LEU A 13 7.807 6.562 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.030 4.599 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.786 4.833 1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.686 5.327 3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.531 6.559 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.190 7.295 2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.207 8.205 1.357 1.00 0.00 H new ATOM 223 N LYS A 14 10.997 5.189 0.885 1.00 0.00 N ATOM 224 CA LYS A 14 11.174 3.944 0.095 1.00 0.00 C ATOM 225 C LYS A 14 11.178 2.716 1.010 1.00 0.00 C ATOM 226 O LYS A 14 11.774 2.727 2.072 1.00 0.00 O ATOM 227 CB LYS A 14 12.522 4.102 -0.616 1.00 0.00 C ATOM 228 CG LYS A 14 13.640 4.291 0.415 1.00 0.00 C ATOM 229 CD LYS A 14 14.988 4.382 -0.303 1.00 0.00 C ATOM 230 CE LYS A 14 15.106 5.738 -1.000 1.00 0.00 C ATOM 231 NZ LYS A 14 16.444 5.718 -1.656 1.00 0.00 N ATOM 0 H LYS A 14 11.482 5.202 1.782 1.00 0.00 H new ATOM 0 HA LYS A 14 10.360 3.795 -0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.725 3.223 -1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.489 4.958 -1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.464 5.196 0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.646 3.458 1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.801 4.257 0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.078 3.577 -1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.310 5.877 -1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.029 6.557 -0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.599 6.617 -2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.182 5.591 -0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.486 4.932 -2.336 1.00 0.00 H new ATOM 245 N GLY A 15 10.521 1.656 0.603 1.00 0.00 N ATOM 246 CA GLY A 15 10.492 0.425 1.448 1.00 0.00 C ATOM 247 C GLY A 15 9.251 -0.406 1.118 1.00 0.00 C ATOM 248 O GLY A 15 8.489 -0.078 0.229 1.00 0.00 O ATOM 0 H GLY A 15 10.006 1.592 -0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.392 -0.166 1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.487 0.698 2.503 1.00 0.00 H new ATOM 252 N GLU A 16 9.049 -1.483 1.835 1.00 0.00 N ATOM 253 CA GLU A 16 7.861 -2.352 1.579 1.00 0.00 C ATOM 254 C GLU A 16 6.770 -2.073 2.616 1.00 0.00 C ATOM 255 O GLU A 16 5.599 -2.006 2.295 1.00 0.00 O ATOM 256 CB GLU A 16 8.381 -3.784 1.720 1.00 0.00 C ATOM 257 CG GLU A 16 8.737 -4.337 0.339 1.00 0.00 C ATOM 258 CD GLU A 16 9.225 -5.780 0.475 1.00 0.00 C ATOM 259 OE1 GLU A 16 8.388 -6.669 0.484 1.00 0.00 O ATOM 260 OE2 GLU A 16 10.426 -5.973 0.568 1.00 0.00 O ATOM 0 H GLU A 16 9.659 -1.798 2.589 1.00 0.00 H new ATOM 0 HA GLU A 16 7.421 -2.173 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.258 -3.802 2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.625 -4.412 2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.866 -4.297 -0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.511 -3.723 -0.122 1.00 0.00 H new ATOM 267 N ILE A 17 7.149 -1.907 3.862 1.00 0.00 N ATOM 268 CA ILE A 17 6.145 -1.629 4.944 1.00 0.00 C ATOM 269 C ILE A 17 5.047 -2.702 4.944 1.00 0.00 C ATOM 270 O ILE A 17 3.927 -2.457 4.535 1.00 0.00 O ATOM 271 CB ILE A 17 5.556 -0.248 4.618 1.00 0.00 C ATOM 272 CG1 ILE A 17 6.675 0.798 4.603 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.524 0.138 5.681 1.00 0.00 C ATOM 274 CD1 ILE A 17 6.343 1.885 3.578 1.00 0.00 C ATOM 0 H ILE A 17 8.117 -1.952 4.179 1.00 0.00 H new ATOM 0 HA ILE A 17 6.601 -1.645 5.934 1.00 0.00 H new ATOM 0 HB ILE A 17 5.076 -0.287 3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.788 1.239 5.593 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.625 0.326 4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.109 1.118 5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.723 -0.601 5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.004 0.172 6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.139 2.630 3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.252 1.437 2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.402 2.364 3.848 1.00 0.00 H new ATOM 286 N THR A 18 5.365 -3.886 5.401 1.00 0.00 N ATOM 287 CA THR A 18 4.348 -4.981 5.433 1.00 0.00 C ATOM 288 C THR A 18 3.301 -4.696 6.513 1.00 0.00 C ATOM 289 O THR A 18 3.634 -4.396 7.645 1.00 0.00 O ATOM 290 CB THR A 18 5.135 -6.255 5.770 1.00 0.00 C ATOM 291 OG1 THR A 18 5.740 -6.107 7.047 1.00 0.00 O ATOM 292 CG2 THR A 18 6.220 -6.499 4.716 1.00 0.00 C ATOM 0 H THR A 18 6.287 -4.143 5.754 1.00 0.00 H new ATOM 0 HA THR A 18 3.815 -5.074 4.487 1.00 0.00 H new ATOM 0 HB THR A 18 4.453 -7.105 5.779 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.213 -5.483 7.588 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.772 -7.405 4.965 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.756 -6.614 3.736 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.905 -5.651 4.696 1.00 0.00 H new ATOM 300 N ILE A 19 2.039 -4.787 6.172 1.00 0.00 N ATOM 301 CA ILE A 19 0.967 -4.522 7.182 1.00 0.00 C ATOM 302 C ILE A 19 -0.197 -5.505 7.005 1.00 0.00 C ATOM 303 O ILE A 19 -0.642 -5.761 5.903 1.00 0.00 O ATOM 304 CB ILE A 19 0.505 -3.080 6.925 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.035 -2.942 5.493 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.687 -2.126 7.113 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.560 -3.081 5.503 1.00 0.00 C ATOM 0 H ILE A 19 1.705 -5.033 5.240 1.00 0.00 H new ATOM 0 HA ILE A 19 1.332 -4.651 8.201 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.288 -2.832 7.630 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.249 -1.975 5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.406 -3.706 4.852 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.361 -1.102 6.931 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.064 -2.211 8.132 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.479 -2.385 6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.941 -2.983 4.486 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.834 -4.058 5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.992 -2.301 6.129 1.00 0.00 H new ATOM 319 N GLU A 20 -0.690 -6.049 8.090 1.00 0.00 N ATOM 320 CA GLU A 20 -1.829 -7.014 8.000 1.00 0.00 C ATOM 321 C GLU A 20 -3.129 -6.262 7.696 1.00 0.00 C ATOM 322 O GLU A 20 -3.251 -5.085 7.973 1.00 0.00 O ATOM 323 CB GLU A 20 -1.900 -7.693 9.375 1.00 0.00 C ATOM 324 CG GLU A 20 -2.108 -6.645 10.476 1.00 0.00 C ATOM 325 CD GLU A 20 -2.793 -7.297 11.678 1.00 0.00 C ATOM 326 OE1 GLU A 20 -2.282 -8.297 12.155 1.00 0.00 O ATOM 327 OE2 GLU A 20 -3.817 -6.786 12.101 1.00 0.00 O ATOM 0 H GLU A 20 -0.352 -5.866 9.035 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.689 -7.744 7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.717 -8.414 9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.981 -8.249 9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.149 -6.222 10.776 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.716 -5.822 10.100 1.00 0.00 H new ATOM 334 N ALA A 21 -4.097 -6.936 7.128 1.00 0.00 N ATOM 335 CA ALA A 21 -5.392 -6.264 6.802 1.00 0.00 C ATOM 336 C ALA A 21 -6.440 -7.299 6.385 1.00 0.00 C ATOM 337 O ALA A 21 -6.115 -8.418 6.037 1.00 0.00 O ATOM 338 CB ALA A 21 -5.073 -5.333 5.630 1.00 0.00 C ATOM 0 H ALA A 21 -4.047 -7.923 6.876 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.799 -5.725 7.657 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.977 -4.802 5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.312 -4.614 5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.702 -5.920 4.790 1.00 0.00 H new ATOM 344 N VAL A 22 -7.695 -6.926 6.414 1.00 0.00 N ATOM 345 CA VAL A 22 -8.783 -7.875 6.017 1.00 0.00 C ATOM 346 C VAL A 22 -8.520 -8.426 4.608 1.00 0.00 C ATOM 347 O VAL A 22 -8.753 -9.587 4.329 1.00 0.00 O ATOM 348 CB VAL A 22 -10.072 -7.042 6.047 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.964 -5.872 5.061 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.264 -7.923 5.661 1.00 0.00 C ATOM 0 H VAL A 22 -8.015 -6.000 6.697 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.844 -8.736 6.683 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.217 -6.651 7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.883 -5.287 5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.122 -5.239 5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.811 -6.258 4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.178 -7.329 5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.113 -8.320 4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.350 -8.748 6.368 1.00 0.00 H new ATOM 360 N ASP A 23 -8.032 -7.593 3.729 1.00 0.00 N ATOM 361 CA ASP A 23 -7.740 -8.038 2.337 1.00 0.00 C ATOM 362 C ASP A 23 -6.762 -7.060 1.689 1.00 0.00 C ATOM 363 O ASP A 23 -6.363 -6.085 2.299 1.00 0.00 O ATOM 364 CB ASP A 23 -9.089 -8.013 1.617 1.00 0.00 C ATOM 365 CG ASP A 23 -9.708 -9.412 1.641 1.00 0.00 C ATOM 366 OD1 ASP A 23 -8.970 -10.366 1.458 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.907 -9.505 1.841 1.00 0.00 O ATOM 0 H ASP A 23 -7.821 -6.613 3.919 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.286 -9.028 2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.757 -7.300 2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.957 -7.680 0.588 1.00 0.00 H new ATOM 372 N ALA A 24 -6.374 -7.305 0.464 1.00 0.00 N ATOM 373 CA ALA A 24 -5.419 -6.374 -0.207 1.00 0.00 C ATOM 374 C ALA A 24 -6.087 -5.014 -0.405 1.00 0.00 C ATOM 375 O ALA A 24 -5.456 -3.980 -0.293 1.00 0.00 O ATOM 376 CB ALA A 24 -5.089 -7.016 -1.554 1.00 0.00 C ATOM 0 H ALA A 24 -6.674 -8.103 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.516 -6.213 0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.390 -6.381 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.638 -7.995 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.003 -7.131 -2.136 1.00 0.00 H new ATOM 382 N ALA A 25 -7.369 -5.006 -0.687 1.00 0.00 N ATOM 383 CA ALA A 25 -8.097 -3.715 -0.886 1.00 0.00 C ATOM 384 C ALA A 25 -7.869 -2.796 0.317 1.00 0.00 C ATOM 385 O ALA A 25 -7.509 -1.644 0.172 1.00 0.00 O ATOM 386 CB ALA A 25 -9.576 -4.095 -0.996 1.00 0.00 C ATOM 0 H ALA A 25 -7.943 -5.843 -0.788 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.752 -3.181 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.173 -3.195 -1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.717 -4.767 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.893 -4.594 -0.080 1.00 0.00 H new ATOM 392 N GLU A 26 -8.059 -3.316 1.501 1.00 0.00 N ATOM 393 CA GLU A 26 -7.840 -2.496 2.728 1.00 0.00 C ATOM 394 C GLU A 26 -6.373 -2.071 2.803 1.00 0.00 C ATOM 395 O GLU A 26 -6.065 -0.922 3.052 1.00 0.00 O ATOM 396 CB GLU A 26 -8.199 -3.418 3.895 1.00 0.00 C ATOM 397 CG GLU A 26 -8.464 -2.581 5.148 1.00 0.00 C ATOM 398 CD GLU A 26 -9.961 -2.287 5.257 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.477 -1.610 4.383 1.00 0.00 O ATOM 400 OE2 GLU A 26 -10.567 -2.744 6.213 1.00 0.00 O ATOM 0 H GLU A 26 -8.357 -4.276 1.671 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.441 -1.587 2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.081 -4.009 3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.386 -4.121 4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.122 -3.115 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.902 -1.648 5.101 1.00 0.00 H new ATOM 407 N ALA A 27 -5.462 -2.990 2.569 1.00 0.00 N ATOM 408 CA ALA A 27 -4.003 -2.637 2.604 1.00 0.00 C ATOM 409 C ALA A 27 -3.736 -1.444 1.684 1.00 0.00 C ATOM 410 O ALA A 27 -3.041 -0.514 2.044 1.00 0.00 O ATOM 411 CB ALA A 27 -3.261 -3.872 2.089 1.00 0.00 C ATOM 0 H ALA A 27 -5.665 -3.967 2.356 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.677 -2.363 3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.188 -3.679 2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.477 -4.722 2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.588 -4.096 1.074 1.00 0.00 H new ATOM 417 N GLU A 28 -4.308 -1.460 0.503 1.00 0.00 N ATOM 418 CA GLU A 28 -4.112 -0.319 -0.444 1.00 0.00 C ATOM 419 C GLU A 28 -4.584 0.977 0.219 1.00 0.00 C ATOM 420 O GLU A 28 -3.994 2.019 0.036 1.00 0.00 O ATOM 421 CB GLU A 28 -4.969 -0.646 -1.671 1.00 0.00 C ATOM 422 CG GLU A 28 -4.456 0.143 -2.881 1.00 0.00 C ATOM 423 CD GLU A 28 -5.621 0.440 -3.826 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.708 0.695 -3.334 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.408 0.408 -5.026 1.00 0.00 O ATOM 0 H GLU A 28 -4.901 -2.214 0.155 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.067 -0.184 -0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.932 -1.715 -1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.012 -0.395 -1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.994 1.074 -2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.687 -0.428 -3.402 1.00 0.00 H new ATOM 432 N LYS A 29 -5.626 0.908 1.013 1.00 0.00 N ATOM 433 CA LYS A 29 -6.118 2.134 1.716 1.00 0.00 C ATOM 434 C LYS A 29 -5.103 2.528 2.790 1.00 0.00 C ATOM 435 O LYS A 29 -4.610 3.644 2.826 1.00 0.00 O ATOM 436 CB LYS A 29 -7.450 1.737 2.364 1.00 0.00 C ATOM 437 CG LYS A 29 -8.425 1.228 1.298 1.00 0.00 C ATOM 438 CD LYS A 29 -8.839 2.379 0.380 1.00 0.00 C ATOM 439 CE LYS A 29 -9.622 3.421 1.181 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.159 4.363 0.159 1.00 0.00 N ATOM 0 H LYS A 29 -6.156 0.057 1.204 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.246 2.980 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.282 0.963 3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.881 2.594 2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.958 0.435 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.305 0.796 1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.956 2.837 -0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.450 2.001 -0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.426 2.958 1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.979 3.936 1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.710 5.109 0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.370 4.793 -0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.772 3.845 -0.502 1.00 0.00 H new ATOM 454 N ILE A 30 -4.763 1.598 3.653 1.00 0.00 N ATOM 455 CA ILE A 30 -3.756 1.882 4.724 1.00 0.00 C ATOM 456 C ILE A 30 -2.452 2.340 4.065 1.00 0.00 C ATOM 457 O ILE A 30 -1.758 3.204 4.564 1.00 0.00 O ATOM 458 CB ILE A 30 -3.559 0.548 5.458 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.880 0.118 6.104 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.492 0.701 6.551 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.875 -1.399 6.312 1.00 0.00 C ATOM 0 H ILE A 30 -5.142 0.651 3.660 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.073 2.665 5.413 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.235 -0.205 4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.013 0.627 7.059 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.718 0.406 5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.360 -0.251 7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.548 1.003 6.098 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.810 1.459 7.266 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.814 -1.706 6.772 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.762 -1.898 5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.045 -1.674 6.963 1.00 0.00 H new ATOM 473 N PHE A 31 -2.143 1.772 2.930 1.00 0.00 N ATOM 474 CA PHE A 31 -0.909 2.171 2.201 1.00 0.00 C ATOM 475 C PHE A 31 -1.156 3.515 1.517 1.00 0.00 C ATOM 476 O PHE A 31 -0.269 4.340 1.403 1.00 0.00 O ATOM 477 CB PHE A 31 -0.675 1.066 1.168 1.00 0.00 C ATOM 478 CG PHE A 31 0.085 -0.077 1.801 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.265 0.169 2.511 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.394 -1.385 1.671 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.969 -0.892 3.091 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.308 -2.448 2.252 1.00 0.00 C ATOM 483 CZ PHE A 31 1.490 -2.201 2.962 1.00 0.00 C ATOM 0 H PHE A 31 -2.696 1.045 2.476 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.044 2.285 2.854 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.630 0.709 0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.115 1.461 0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.633 1.179 2.612 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.305 -1.575 1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.881 -0.701 3.638 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.062 -3.458 2.153 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.032 -3.021 3.410 1.00 0.00 H new ATOM 493 N LYS A 32 -2.367 3.739 1.069 1.00 0.00 N ATOM 494 CA LYS A 32 -2.702 5.026 0.399 1.00 0.00 C ATOM 495 C LYS A 32 -2.925 6.145 1.423 1.00 0.00 C ATOM 496 O LYS A 32 -3.183 7.277 1.056 1.00 0.00 O ATOM 497 CB LYS A 32 -3.978 4.764 -0.392 1.00 0.00 C ATOM 498 CG LYS A 32 -3.614 4.091 -1.715 1.00 0.00 C ATOM 499 CD LYS A 32 -4.888 3.631 -2.427 1.00 0.00 C ATOM 500 CE LYS A 32 -4.642 3.597 -3.937 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.018 4.956 -4.417 1.00 0.00 N ATOM 0 H LYS A 32 -3.141 3.078 1.141 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.887 5.356 -0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.652 4.128 0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.504 5.700 -0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.063 4.786 -2.348 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.960 3.239 -1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.179 2.642 -2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.711 4.307 -2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.599 3.373 -4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.245 2.827 -4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.877 5.012 -5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.017 5.139 -4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.423 5.667 -3.946 1.00 0.00 H new ATOM 515 N GLN A 33 -2.765 5.865 2.697 1.00 0.00 N ATOM 516 CA GLN A 33 -2.899 6.946 3.723 1.00 0.00 C ATOM 517 C GLN A 33 -1.470 7.277 4.105 1.00 0.00 C ATOM 518 O GLN A 33 -1.032 8.410 4.113 1.00 0.00 O ATOM 519 CB GLN A 33 -3.661 6.326 4.893 1.00 0.00 C ATOM 520 CG GLN A 33 -5.155 6.286 4.567 1.00 0.00 C ATOM 521 CD GLN A 33 -5.962 6.381 5.862 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.780 7.299 6.637 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.852 5.467 6.131 1.00 0.00 N ATOM 0 H GLN A 33 -2.549 4.939 3.067 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.425 7.843 3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.293 5.318 5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.491 6.907 5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.415 7.110 3.903 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.399 5.363 4.041 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.005 4.697 5.480 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.396 5.522 6.992 1.00 0.00 H new ATOM 532 N TYR A 34 -0.734 6.229 4.333 1.00 0.00 N ATOM 533 CA TYR A 34 0.720 6.303 4.630 1.00 0.00 C ATOM 534 C TYR A 34 1.415 7.264 3.654 1.00 0.00 C ATOM 535 O TYR A 34 2.097 8.193 4.037 1.00 0.00 O ATOM 536 CB TYR A 34 1.157 4.871 4.330 1.00 0.00 C ATOM 537 CG TYR A 34 2.386 4.521 5.132 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.262 4.001 6.425 1.00 0.00 C ATOM 539 CD2 TYR A 34 3.653 4.720 4.573 1.00 0.00 C ATOM 540 CE1 TYR A 34 3.409 3.679 7.162 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.801 4.399 5.309 1.00 0.00 C ATOM 542 CZ TYR A 34 4.678 3.879 6.603 1.00 0.00 C ATOM 543 OH TYR A 34 5.808 3.561 7.329 1.00 0.00 O ATOM 0 H TYR A 34 -1.102 5.278 4.325 1.00 0.00 H new ATOM 0 HA TYR A 34 0.954 6.655 5.635 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.349 4.179 4.569 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.366 4.762 3.266 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.283 3.848 6.854 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.746 5.121 3.574 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.315 3.277 8.160 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.780 4.552 4.879 1.00 0.00 H new ATOM 0 HH TYR A 34 6.606 3.759 6.796 1.00 0.00 H new ATOM 553 N ALA A 35 1.219 7.023 2.384 1.00 0.00 N ATOM 554 CA ALA A 35 1.826 7.885 1.323 1.00 0.00 C ATOM 555 C ALA A 35 1.398 9.344 1.512 1.00 0.00 C ATOM 556 O ALA A 35 2.215 10.245 1.517 1.00 0.00 O ATOM 557 CB ALA A 35 1.263 7.333 0.012 1.00 0.00 C ATOM 0 H ALA A 35 0.654 6.251 2.030 1.00 0.00 H new ATOM 0 HA ALA A 35 2.916 7.869 1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.658 7.909 -0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.554 6.288 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.176 7.408 0.023 1.00 0.00 H new ATOM 563 N ASN A 36 0.120 9.576 1.667 1.00 0.00 N ATOM 564 CA ASN A 36 -0.379 10.975 1.860 1.00 0.00 C ATOM 565 C ASN A 36 0.246 11.592 3.110 1.00 0.00 C ATOM 566 O ASN A 36 0.722 12.712 3.091 1.00 0.00 O ATOM 567 CB ASN A 36 -1.888 10.842 2.039 1.00 0.00 C ATOM 568 CG ASN A 36 -2.579 10.912 0.676 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.578 11.586 0.523 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.086 10.240 -0.329 1.00 0.00 N ATOM 0 H ASN A 36 -0.603 8.856 1.669 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.121 11.619 1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.124 9.897 2.528 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.258 11.637 2.686 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.540 10.281 -1.242 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.247 9.674 -0.201 1.00 0.00 H new ATOM 577 N ASP A 37 0.239 10.868 4.201 1.00 0.00 N ATOM 578 CA ASP A 37 0.825 11.403 5.474 1.00 0.00 C ATOM 579 C ASP A 37 2.268 11.869 5.265 1.00 0.00 C ATOM 580 O ASP A 37 2.772 12.698 6.000 1.00 0.00 O ATOM 581 CB ASP A 37 0.778 10.235 6.462 1.00 0.00 C ATOM 582 CG ASP A 37 1.248 10.712 7.838 1.00 0.00 C ATOM 583 OD1 ASP A 37 2.397 11.105 7.946 1.00 0.00 O ATOM 584 OD2 ASP A 37 0.449 10.675 8.759 1.00 0.00 O ATOM 0 H ASP A 37 -0.148 9.927 4.268 1.00 0.00 H new ATOM 0 HA ASP A 37 0.271 12.270 5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.236 9.842 6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.413 9.422 6.111 1.00 0.00 H new ATOM 589 N ASN A 38 2.930 11.342 4.273 1.00 0.00 N ATOM 590 CA ASN A 38 4.336 11.743 4.008 1.00 0.00 C ATOM 591 C ASN A 38 4.409 12.664 2.783 1.00 0.00 C ATOM 592 O ASN A 38 5.221 13.568 2.726 1.00 0.00 O ATOM 593 CB ASN A 38 5.091 10.434 3.756 1.00 0.00 C ATOM 594 CG ASN A 38 6.380 10.413 4.583 1.00 0.00 C ATOM 595 OD1 ASN A 38 7.465 10.388 4.036 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.306 10.421 5.886 1.00 0.00 N ATOM 0 H ASN A 38 2.552 10.645 3.631 1.00 0.00 H new ATOM 0 HA ASN A 38 4.767 12.299 4.841 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.463 9.584 4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.326 10.337 2.696 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.159 10.406 6.445 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.395 10.442 6.345 1.00 0.00 H new ATOM 603 N GLY A 39 3.563 12.442 1.808 1.00 0.00 N ATOM 604 CA GLY A 39 3.575 13.304 0.585 1.00 0.00 C ATOM 605 C GLY A 39 3.827 12.446 -0.659 1.00 0.00 C ATOM 606 O GLY A 39 4.508 12.860 -1.578 1.00 0.00 O ATOM 0 H GLY A 39 2.863 11.700 1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.623 13.827 0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.350 14.066 0.675 1.00 0.00 H new ATOM 610 N ILE A 40 3.282 11.258 -0.692 1.00 0.00 N ATOM 611 CA ILE A 40 3.481 10.363 -1.872 1.00 0.00 C ATOM 612 C ILE A 40 2.213 10.379 -2.734 1.00 0.00 C ATOM 613 O ILE A 40 1.174 9.880 -2.344 1.00 0.00 O ATOM 614 CB ILE A 40 3.788 8.986 -1.243 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.294 8.877 -1.037 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.329 7.809 -2.109 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.702 9.855 0.052 1.00 0.00 C ATOM 0 H ILE A 40 2.704 10.867 0.052 1.00 0.00 H new ATOM 0 HA ILE A 40 4.286 10.661 -2.543 1.00 0.00 H new ATOM 0 HB ILE A 40 3.238 8.928 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.565 7.860 -0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.821 9.101 -1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.575 6.872 -1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.251 7.867 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.834 7.849 -3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.778 9.791 0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.440 10.868 -0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.181 9.608 0.977 1.00 0.00 H new ATOM 629 N ASP A 41 2.305 10.959 -3.896 1.00 0.00 N ATOM 630 CA ASP A 41 1.117 11.029 -4.802 1.00 0.00 C ATOM 631 C ASP A 41 1.533 10.824 -6.263 1.00 0.00 C ATOM 632 O ASP A 41 2.156 11.676 -6.866 1.00 0.00 O ATOM 633 CB ASP A 41 0.551 12.436 -4.603 1.00 0.00 C ATOM 634 CG ASP A 41 -0.946 12.434 -4.922 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.659 11.648 -4.320 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.354 13.219 -5.762 1.00 0.00 O ATOM 0 H ASP A 41 3.153 11.391 -4.263 1.00 0.00 H new ATOM 0 HA ASP A 41 0.387 10.253 -4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.714 12.763 -3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.070 13.143 -5.250 1.00 0.00 H new ATOM 641 N GLY A 42 1.182 9.698 -6.832 1.00 0.00 N ATOM 642 CA GLY A 42 1.541 9.425 -8.256 1.00 0.00 C ATOM 643 C GLY A 42 0.687 8.269 -8.785 1.00 0.00 C ATOM 644 O GLY A 42 -0.492 8.427 -9.041 1.00 0.00 O ATOM 0 H GLY A 42 0.660 8.954 -6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.379 10.317 -8.861 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.599 9.175 -8.334 1.00 0.00 H new ATOM 648 N GLU A 43 1.275 7.111 -8.955 1.00 0.00 N ATOM 649 CA GLU A 43 0.499 5.940 -9.476 1.00 0.00 C ATOM 650 C GLU A 43 0.311 4.880 -8.381 1.00 0.00 C ATOM 651 O GLU A 43 0.861 4.986 -7.307 1.00 0.00 O ATOM 652 CB GLU A 43 1.351 5.382 -10.617 1.00 0.00 C ATOM 653 CG GLU A 43 0.447 4.953 -11.774 1.00 0.00 C ATOM 654 CD GLU A 43 1.261 4.139 -12.782 1.00 0.00 C ATOM 655 OE1 GLU A 43 2.145 4.710 -13.399 1.00 0.00 O ATOM 656 OE2 GLU A 43 0.987 2.957 -12.919 1.00 0.00 O ATOM 0 H GLU A 43 2.258 6.924 -8.756 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.499 6.227 -9.806 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.060 6.137 -10.957 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.935 4.532 -10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.386 4.358 -11.398 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.019 5.830 -12.260 1.00 0.00 H new ATOM 663 N TRP A 44 -0.465 3.860 -8.659 1.00 0.00 N ATOM 664 CA TRP A 44 -0.709 2.769 -7.657 1.00 0.00 C ATOM 665 C TRP A 44 -1.056 1.477 -8.391 1.00 0.00 C ATOM 666 O TRP A 44 -1.914 1.459 -9.253 1.00 0.00 O ATOM 667 CB TRP A 44 -1.917 3.229 -6.835 1.00 0.00 C ATOM 668 CG TRP A 44 -1.467 4.090 -5.708 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.325 5.434 -5.748 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.108 3.678 -4.366 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.890 5.871 -4.512 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.740 4.823 -3.625 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.065 2.427 -3.731 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.339 4.733 -2.295 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.660 2.331 -2.390 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.298 3.483 -1.674 1.00 0.00 C ATOM 0 H TRP A 44 -0.947 3.734 -9.549 1.00 0.00 H new ATOM 0 HA TRP A 44 0.164 2.585 -7.031 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.611 3.780 -7.470 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.456 2.364 -6.450 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.520 6.062 -6.605 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.703 6.847 -4.283 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.344 1.537 -4.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.062 5.622 -1.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.627 1.366 -1.907 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.012 3.402 -0.643 1.00 0.00 H new ATOM 687 N THR A 45 -0.401 0.398 -8.055 1.00 0.00 N ATOM 688 CA THR A 45 -0.701 -0.900 -8.737 1.00 0.00 C ATOM 689 C THR A 45 -0.602 -2.035 -7.733 1.00 0.00 C ATOM 690 O THR A 45 0.341 -2.113 -6.973 1.00 0.00 O ATOM 691 CB THR A 45 0.356 -1.077 -9.841 1.00 0.00 C ATOM 692 OG1 THR A 45 1.583 -1.501 -9.265 1.00 0.00 O ATOM 693 CG2 THR A 45 0.574 0.239 -10.587 1.00 0.00 C ATOM 0 H THR A 45 0.326 0.356 -7.341 1.00 0.00 H new ATOM 0 HA THR A 45 -1.706 -0.905 -9.158 1.00 0.00 H new ATOM 0 HB THR A 45 0.001 -1.829 -10.546 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.521 -1.449 -8.288 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.325 0.097 -11.364 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.363 0.559 -11.042 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.917 1.001 -9.887 1.00 0.00 H new ATOM 701 N TYR A 46 -1.564 -2.915 -7.733 1.00 0.00 N ATOM 702 CA TYR A 46 -1.530 -4.059 -6.780 1.00 0.00 C ATOM 703 C TYR A 46 -0.995 -5.313 -7.488 1.00 0.00 C ATOM 704 O TYR A 46 -1.229 -5.522 -8.663 1.00 0.00 O ATOM 705 CB TYR A 46 -2.985 -4.248 -6.322 1.00 0.00 C ATOM 706 CG TYR A 46 -3.107 -5.523 -5.512 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.297 -5.714 -4.388 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.014 -6.517 -5.899 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.394 -6.897 -3.648 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.112 -7.700 -5.157 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.301 -7.891 -4.034 1.00 0.00 C ATOM 712 OH TYR A 46 -3.398 -9.059 -3.306 1.00 0.00 O ATOM 0 H TYR A 46 -2.374 -2.891 -8.353 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.872 -3.878 -5.930 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.301 -3.394 -5.723 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.646 -4.292 -7.188 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.596 -4.948 -4.091 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.637 -6.371 -6.769 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.769 -7.043 -2.779 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.814 -8.466 -5.452 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.076 -9.641 -3.709 1.00 0.00 H new ATOM 722 N ASP A 47 -0.292 -6.144 -6.767 1.00 0.00 N ATOM 723 CA ASP A 47 0.256 -7.392 -7.370 1.00 0.00 C ATOM 724 C ASP A 47 -0.366 -8.609 -6.682 1.00 0.00 C ATOM 725 O ASP A 47 0.043 -8.999 -5.603 1.00 0.00 O ATOM 726 CB ASP A 47 1.762 -7.338 -7.110 1.00 0.00 C ATOM 727 CG ASP A 47 2.363 -6.136 -7.841 1.00 0.00 C ATOM 728 OD1 ASP A 47 1.977 -5.905 -8.976 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.198 -5.468 -7.255 1.00 0.00 O ATOM 0 H ASP A 47 -0.073 -6.011 -5.780 1.00 0.00 H new ATOM 0 HA ASP A 47 0.037 -7.472 -8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.955 -7.260 -6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.234 -8.259 -7.452 1.00 0.00 H new ATOM 734 N ASP A 48 -1.352 -9.210 -7.302 1.00 0.00 N ATOM 735 CA ASP A 48 -2.015 -10.406 -6.693 1.00 0.00 C ATOM 736 C ASP A 48 -1.086 -11.633 -6.704 1.00 0.00 C ATOM 737 O ASP A 48 -1.416 -12.667 -6.154 1.00 0.00 O ATOM 738 CB ASP A 48 -3.257 -10.664 -7.554 1.00 0.00 C ATOM 739 CG ASP A 48 -2.843 -10.914 -9.008 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.413 -9.971 -9.650 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.965 -12.044 -9.451 1.00 0.00 O ATOM 0 H ASP A 48 -1.727 -8.923 -8.206 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.268 -10.228 -5.648 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.804 -11.525 -7.170 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.931 -9.809 -7.501 1.00 0.00 H new ATOM 746 N ALA A 49 0.068 -11.527 -7.315 1.00 0.00 N ATOM 747 CA ALA A 49 1.013 -12.679 -7.352 1.00 0.00 C ATOM 748 C ALA A 49 1.969 -12.597 -6.161 1.00 0.00 C ATOM 749 O ALA A 49 2.459 -13.600 -5.678 1.00 0.00 O ATOM 750 CB ALA A 49 1.775 -12.524 -8.668 1.00 0.00 C ATOM 0 H ALA A 49 0.395 -10.686 -7.791 1.00 0.00 H new ATOM 0 HA ALA A 49 0.505 -13.642 -7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.493 -13.337 -8.770 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.072 -12.553 -9.501 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.303 -11.571 -8.672 1.00 0.00 H new ATOM 756 N THR A 50 2.223 -11.406 -5.677 1.00 0.00 N ATOM 757 CA THR A 50 3.131 -11.246 -4.507 1.00 0.00 C ATOM 758 C THR A 50 2.431 -10.448 -3.400 1.00 0.00 C ATOM 759 O THR A 50 3.038 -10.092 -2.409 1.00 0.00 O ATOM 760 CB THR A 50 4.336 -10.474 -5.043 1.00 0.00 C ATOM 761 OG1 THR A 50 3.899 -9.237 -5.590 1.00 0.00 O ATOM 762 CG2 THR A 50 5.027 -11.298 -6.129 1.00 0.00 C ATOM 0 H THR A 50 1.837 -10.537 -6.046 1.00 0.00 H new ATOM 0 HA THR A 50 3.420 -12.204 -4.075 1.00 0.00 H new ATOM 0 HB THR A 50 5.038 -10.284 -4.231 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.671 -8.740 -5.933 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.887 -10.748 -6.512 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.361 -12.247 -5.709 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.327 -11.488 -6.942 1.00 0.00 H new ATOM 770 N LYS A 51 1.153 -10.155 -3.561 1.00 0.00 N ATOM 771 CA LYS A 51 0.409 -9.372 -2.520 1.00 0.00 C ATOM 772 C LYS A 51 1.137 -8.057 -2.228 1.00 0.00 C ATOM 773 O LYS A 51 1.221 -7.622 -1.094 1.00 0.00 O ATOM 774 CB LYS A 51 0.380 -10.263 -1.270 1.00 0.00 C ATOM 775 CG LYS A 51 -0.307 -11.595 -1.594 1.00 0.00 C ATOM 776 CD LYS A 51 -1.750 -11.573 -1.082 1.00 0.00 C ATOM 777 CE LYS A 51 -2.266 -13.007 -0.947 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.669 -12.868 -0.463 1.00 0.00 N ATOM 0 H LYS A 51 0.597 -10.427 -4.372 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.598 -9.115 -2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.396 -10.444 -0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.151 -9.757 -0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.296 -11.768 -2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.239 -12.418 -1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.797 -11.066 -0.118 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.382 -11.011 -1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.228 -13.532 -1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.661 -13.580 -0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.091 -13.811 -0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.673 -12.371 0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.223 -12.325 -1.155 1.00 0.00 H new ATOM 792 N THR A 52 1.675 -7.429 -3.245 1.00 0.00 N ATOM 793 CA THR A 52 2.409 -6.144 -3.029 1.00 0.00 C ATOM 794 C THR A 52 1.855 -5.041 -3.939 1.00 0.00 C ATOM 795 O THR A 52 1.464 -5.291 -5.063 1.00 0.00 O ATOM 796 CB THR A 52 3.861 -6.457 -3.391 1.00 0.00 C ATOM 797 OG1 THR A 52 4.281 -7.618 -2.690 1.00 0.00 O ATOM 798 CG2 THR A 52 4.749 -5.275 -3.005 1.00 0.00 C ATOM 0 H THR A 52 1.638 -7.750 -4.213 1.00 0.00 H new ATOM 0 HA THR A 52 2.306 -5.782 -2.006 1.00 0.00 H new ATOM 0 HB THR A 52 3.940 -6.632 -4.464 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.152 -8.407 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.784 -5.498 -3.263 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.424 -4.385 -3.544 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.673 -5.098 -1.932 1.00 0.00 H new ATOM 806 N PHE A 53 1.826 -3.820 -3.459 1.00 0.00 N ATOM 807 CA PHE A 53 1.305 -2.693 -4.291 1.00 0.00 C ATOM 808 C PHE A 53 2.477 -1.922 -4.918 1.00 0.00 C ATOM 809 O PHE A 53 3.610 -2.363 -4.851 1.00 0.00 O ATOM 810 CB PHE A 53 0.517 -1.813 -3.319 1.00 0.00 C ATOM 811 CG PHE A 53 -0.779 -2.502 -2.950 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.796 -3.471 -1.935 1.00 0.00 C ATOM 813 CD2 PHE A 53 -1.964 -2.178 -3.624 1.00 0.00 C ATOM 814 CE1 PHE A 53 -1.997 -4.110 -1.596 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.160 -2.820 -3.285 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.177 -3.785 -2.272 1.00 0.00 C ATOM 0 H PHE A 53 2.142 -3.557 -2.525 1.00 0.00 H new ATOM 0 HA PHE A 53 0.678 -3.033 -5.115 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.108 -1.623 -2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.309 -0.845 -3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.116 -3.724 -1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.954 -1.433 -4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.011 -4.853 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.072 -2.570 -3.806 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.102 -4.279 -2.012 1.00 0.00 H new ATOM 826 N THR A 54 2.233 -0.773 -5.519 1.00 0.00 N ATOM 827 CA THR A 54 3.346 0.006 -6.130 1.00 0.00 C ATOM 828 C THR A 54 2.904 1.454 -6.233 1.00 0.00 C ATOM 829 O THR A 54 2.247 1.848 -7.179 1.00 0.00 O ATOM 830 CB THR A 54 3.582 -0.588 -7.524 1.00 0.00 C ATOM 831 OG1 THR A 54 3.280 -1.978 -7.521 1.00 0.00 O ATOM 832 CG2 THR A 54 5.045 -0.389 -7.917 1.00 0.00 C ATOM 0 H THR A 54 1.309 -0.349 -5.608 1.00 0.00 H new ATOM 0 HA THR A 54 4.263 -0.040 -5.543 1.00 0.00 H new ATOM 0 HB THR A 54 2.934 -0.084 -8.241 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.956 -2.244 -8.407 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.216 -0.810 -8.908 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.276 0.676 -7.931 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.688 -0.891 -7.193 1.00 0.00 H new ATOM 840 N VAL A 55 3.237 2.238 -5.251 1.00 0.00 N ATOM 841 CA VAL A 55 2.813 3.667 -5.265 1.00 0.00 C ATOM 842 C VAL A 55 3.922 4.560 -5.830 1.00 0.00 C ATOM 843 O VAL A 55 4.992 4.691 -5.268 1.00 0.00 O ATOM 844 CB VAL A 55 2.447 4.035 -3.807 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.562 3.643 -2.834 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.195 5.543 -3.699 1.00 0.00 C ATOM 0 H VAL A 55 3.784 1.954 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 55 1.952 3.821 -5.915 1.00 0.00 H new ATOM 0 HB VAL A 55 1.545 3.483 -3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.272 3.916 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.729 2.567 -2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.480 4.167 -3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.938 5.796 -2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.095 6.084 -3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.373 5.823 -4.358 1.00 0.00 H new ATOM 856 N THR A 56 3.643 5.182 -6.942 1.00 0.00 N ATOM 857 CA THR A 56 4.631 6.093 -7.580 1.00 0.00 C ATOM 858 C THR A 56 4.265 7.539 -7.207 1.00 0.00 C ATOM 859 O THR A 56 3.198 7.797 -6.680 1.00 0.00 O ATOM 860 CB THR A 56 4.478 5.801 -9.090 1.00 0.00 C ATOM 861 OG1 THR A 56 5.295 4.691 -9.431 1.00 0.00 O ATOM 862 CG2 THR A 56 4.889 7.006 -9.949 1.00 0.00 C ATOM 0 H THR A 56 2.758 5.095 -7.442 1.00 0.00 H new ATOM 0 HA THR A 56 5.664 5.949 -7.265 1.00 0.00 H new ATOM 0 HB THR A 56 3.428 5.587 -9.288 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.203 4.498 -10.387 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.767 6.760 -11.004 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.260 7.861 -9.701 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.932 7.254 -9.753 1.00 0.00 H new ATOM 870 N GLU A 57 5.139 8.476 -7.474 1.00 0.00 N ATOM 871 CA GLU A 57 4.841 9.900 -7.136 1.00 0.00 C ATOM 872 C GLU A 57 4.994 10.782 -8.380 1.00 0.00 C ATOM 873 O GLU A 57 4.979 10.239 -9.473 1.00 0.00 O ATOM 874 CB GLU A 57 5.877 10.284 -6.077 1.00 0.00 C ATOM 875 CG GLU A 57 5.479 11.610 -5.411 1.00 0.00 C ATOM 876 CD GLU A 57 6.644 12.602 -5.486 1.00 0.00 C ATOM 877 OE1 GLU A 57 6.969 13.022 -6.585 1.00 0.00 O ATOM 878 OE2 GLU A 57 7.190 12.924 -4.444 1.00 0.00 O ATOM 879 OXT GLU A 57 5.125 11.984 -8.216 1.00 0.00 O ATOM 0 H GLU A 57 6.046 8.316 -7.912 1.00 0.00 H new ATOM 0 HA GLU A 57 3.821 10.033 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.950 9.498 -5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.861 10.379 -6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.602 12.027 -5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.204 11.436 -4.371 1.00 0.00 H new TER 886 GLU A 57