USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot -17:sc= 0.218 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0809 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.209 K(o=-0.21,f=-1) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.2) USER MOD Single : A 37 ASN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0609 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.283 1.227 0.513 1.00 0.00 N ATOM 2 CA MET A 1 1.176 0.724 -0.525 1.00 0.00 C ATOM 3 C MET A 1 2.630 1.042 -0.193 1.00 0.00 C ATOM 4 O MET A 1 2.988 2.200 0.020 1.00 0.00 O ATOM 5 CB MET A 1 0.807 1.329 -1.881 1.00 0.00 C ATOM 6 CG MET A 1 0.257 0.314 -2.870 1.00 0.00 C ATOM 7 SD MET A 1 0.884 0.563 -4.542 1.00 0.00 S ATOM 8 CE MET A 1 -0.593 1.136 -5.376 1.00 0.00 C ATOM 0 H1 MET A 1 -0.701 0.999 0.265 1.00 0.00 H new ATOM 0 H2 MET A 1 0.523 0.783 1.422 1.00 0.00 H new ATOM 0 H3 MET A 1 0.390 2.258 0.593 1.00 0.00 H new ATOM 0 HA MET A 1 1.062 -0.359 -0.574 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.067 2.115 -1.730 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.690 1.802 -2.311 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.515 -0.691 -2.535 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.831 0.376 -2.881 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.366 1.334 -6.424 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.367 0.372 -5.310 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.946 2.052 -4.902 1.00 0.00 H new ATOM 18 N GLN A 2 3.462 0.007 -0.149 1.00 0.00 N ATOM 19 CA GLN A 2 4.877 0.177 0.159 1.00 0.00 C ATOM 20 C GLN A 2 5.069 0.640 1.600 1.00 0.00 C ATOM 21 O GLN A 2 4.354 1.519 2.080 1.00 0.00 O ATOM 22 CB GLN A 2 5.512 1.184 -0.801 1.00 0.00 C ATOM 23 CG GLN A 2 6.911 0.795 -1.253 1.00 0.00 C ATOM 24 CD GLN A 2 7.509 1.795 -2.223 1.00 0.00 C ATOM 25 OE1 GLN A 2 8.254 2.692 -1.828 1.00 0.00 O ATOM 26 NE2 GLN A 2 7.186 1.645 -3.502 1.00 0.00 N ATOM 0 H GLN A 2 3.181 -0.958 -0.323 1.00 0.00 H new ATOM 0 HA GLN A 2 5.368 -0.789 0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 2 4.873 1.291 -1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.554 2.159 -0.316 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.559 0.708 -0.381 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.877 -0.187 -1.724 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.565 0.887 -3.786 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.559 2.287 -4.201 1.00 0.00 H new ATOM 35 N TYR A 3 6.038 0.041 2.284 1.00 0.00 N ATOM 36 CA TYR A 3 6.322 0.390 3.671 1.00 0.00 C ATOM 37 C TYR A 3 7.792 0.756 3.850 1.00 0.00 C ATOM 38 O TYR A 3 8.624 0.479 2.986 1.00 0.00 O ATOM 39 CB TYR A 3 5.957 -0.772 4.596 1.00 0.00 C ATOM 40 CG TYR A 3 4.641 -1.430 4.251 1.00 0.00 C ATOM 41 CD1 TYR A 3 4.570 -2.419 3.277 1.00 0.00 C ATOM 42 CD2 TYR A 3 3.467 -1.063 4.898 1.00 0.00 C ATOM 43 CE1 TYR A 3 3.369 -3.023 2.959 1.00 0.00 C ATOM 44 CE2 TYR A 3 2.262 -1.663 4.587 1.00 0.00 C ATOM 45 CZ TYR A 3 2.218 -2.642 3.617 1.00 0.00 C ATOM 46 OH TYR A 3 1.019 -3.240 3.303 1.00 0.00 O ATOM 0 H TYR A 3 6.640 -0.688 1.901 1.00 0.00 H new ATOM 0 HA TYR A 3 5.716 1.257 3.933 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.749 -1.520 4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.914 -0.408 5.623 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.469 -2.720 2.760 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.497 -0.295 5.657 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.331 -3.790 2.199 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.359 -1.367 5.101 1.00 0.00 H new ATOM 0 HH TYR A 3 1.097 -3.694 2.438 1.00 0.00 H new ATOM 56 N LYS A 4 8.105 1.381 4.980 1.00 0.00 N ATOM 57 CA LYS A 4 9.474 1.785 5.278 1.00 0.00 C ATOM 58 C LYS A 4 9.973 1.118 6.556 1.00 0.00 C ATOM 59 O LYS A 4 9.188 0.808 7.453 1.00 0.00 O ATOM 60 CB LYS A 4 9.561 3.306 5.417 1.00 0.00 C ATOM 61 CG LYS A 4 10.783 3.910 4.747 1.00 0.00 C ATOM 62 CD LYS A 4 10.774 5.427 4.833 1.00 0.00 C ATOM 63 CE LYS A 4 12.121 6.016 4.443 1.00 0.00 C ATOM 64 NZ LYS A 4 12.096 6.596 3.072 1.00 0.00 N ATOM 0 H LYS A 4 7.428 1.619 5.705 1.00 0.00 H new ATOM 0 HA LYS A 4 10.108 1.465 4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.664 3.753 4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.572 3.565 6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.686 3.523 5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.814 3.604 3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.999 5.825 4.178 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.522 5.733 5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.401 6.789 5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.885 5.241 4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.032 6.987 2.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.854 5.853 2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.384 7.353 3.028 1.00 0.00 H new ATOM 78 N LEU A 5 11.281 0.902 6.633 1.00 0.00 N ATOM 79 CA LEU A 5 11.885 0.273 7.803 1.00 0.00 C ATOM 80 C LEU A 5 13.155 1.007 8.221 1.00 0.00 C ATOM 81 O LEU A 5 14.099 1.130 7.441 1.00 0.00 O ATOM 82 CB LEU A 5 12.204 -1.194 7.510 1.00 0.00 C ATOM 83 CG LEU A 5 13.368 -1.798 8.297 1.00 0.00 C ATOM 84 CD1 LEU A 5 13.062 -1.799 9.787 1.00 0.00 C ATOM 85 CD2 LEU A 5 13.665 -3.209 7.811 1.00 0.00 C ATOM 0 H LEU A 5 11.944 1.153 5.900 1.00 0.00 H new ATOM 0 HA LEU A 5 11.169 0.326 8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 5 11.311 -1.786 7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 5 12.421 -1.292 6.446 1.00 0.00 H new ATOM 0 HG LEU A 5 14.252 -1.183 8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 5 13.902 -2.232 10.331 1.00 0.00 H new ATOM 0 HD12 LEU A 5 12.900 -0.776 10.126 1.00 0.00 H new ATOM 0 HD13 LEU A 5 12.165 -2.390 9.974 1.00 0.00 H new ATOM 0 HD21 LEU A 5 14.496 -3.623 8.382 1.00 0.00 H new ATOM 0 HD22 LEU A 5 12.783 -3.834 7.948 1.00 0.00 H new ATOM 0 HD23 LEU A 5 13.929 -3.182 6.754 1.00 0.00 H new ATOM 97 N VAL A 6 13.171 1.493 9.459 1.00 0.00 N ATOM 98 CA VAL A 6 14.326 2.212 9.983 1.00 0.00 C ATOM 99 C VAL A 6 15.073 1.375 11.015 1.00 0.00 C ATOM 100 O VAL A 6 14.464 0.627 11.781 1.00 0.00 O ATOM 101 CB VAL A 6 13.910 3.549 10.626 1.00 0.00 C ATOM 102 CG1 VAL A 6 15.130 4.291 11.150 1.00 0.00 C ATOM 103 CG2 VAL A 6 13.144 4.404 9.628 1.00 0.00 C ATOM 0 H VAL A 6 12.397 1.402 10.117 1.00 0.00 H new ATOM 0 HA VAL A 6 14.984 2.413 9.138 1.00 0.00 H new ATOM 0 HB VAL A 6 13.252 3.338 11.469 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.817 5.233 11.601 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.634 3.680 11.899 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.815 4.493 10.326 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.858 5.345 10.099 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.776 4.608 8.764 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.249 3.873 9.305 1.00 0.00 H new ATOM 113 N ILE A 7 16.395 1.506 11.031 1.00 0.00 N ATOM 114 CA ILE A 7 17.225 0.763 11.970 1.00 0.00 C ATOM 115 C ILE A 7 17.803 1.683 13.041 1.00 0.00 C ATOM 116 O ILE A 7 18.722 2.457 12.777 1.00 0.00 O ATOM 117 CB ILE A 7 18.380 0.041 11.252 1.00 0.00 C ATOM 118 CG1 ILE A 7 17.834 -0.879 10.159 1.00 0.00 C ATOM 119 CG2 ILE A 7 19.213 -0.750 12.250 1.00 0.00 C ATOM 120 CD1 ILE A 7 18.912 -1.615 9.394 1.00 0.00 C ATOM 0 H ILE A 7 16.914 2.120 10.404 1.00 0.00 H new ATOM 0 HA ILE A 7 16.581 0.021 12.441 1.00 0.00 H new ATOM 0 HB ILE A 7 19.021 0.789 10.785 1.00 0.00 H new ATOM 0 HG12 ILE A 7 17.160 -1.606 10.611 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.243 -0.288 9.460 1.00 0.00 H new ATOM 0 HG21 ILE A 7 20.025 -1.255 11.727 1.00 0.00 H new ATOM 0 HG22 ILE A 7 19.628 -0.072 12.996 1.00 0.00 H new ATOM 0 HG23 ILE A 7 18.584 -1.491 12.743 1.00 0.00 H new ATOM 0 HD11 ILE A 7 18.452 -2.248 8.636 1.00 0.00 H new ATOM 0 HD12 ILE A 7 19.573 -0.894 8.913 1.00 0.00 H new ATOM 0 HD13 ILE A 7 19.489 -2.233 10.082 1.00 0.00 H new ATOM 132 N ASN A 8 17.258 1.591 14.249 1.00 0.00 N ATOM 133 CA ASN A 8 17.720 2.414 15.361 1.00 0.00 C ATOM 134 C ASN A 8 18.439 1.565 16.405 1.00 0.00 C ATOM 135 O ASN A 8 18.036 1.518 17.566 1.00 0.00 O ATOM 136 CB ASN A 8 16.541 3.146 16.006 1.00 0.00 C ATOM 137 CG ASN A 8 16.919 4.529 16.500 1.00 0.00 C ATOM 138 OD1 ASN A 8 16.341 5.530 16.077 1.00 0.00 O ATOM 139 ND2 ASN A 8 17.894 4.590 17.399 1.00 0.00 N ATOM 0 H ASN A 8 16.496 0.955 14.483 1.00 0.00 H new ATOM 0 HA ASN A 8 18.424 3.148 14.969 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.730 3.231 15.283 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.163 2.556 16.841 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.192 5.493 17.768 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.345 3.734 17.721 1.00 0.00 H new ATOM 146 N GLY A 9 19.506 0.895 15.982 1.00 0.00 N ATOM 147 CA GLY A 9 20.265 0.057 16.892 1.00 0.00 C ATOM 148 C GLY A 9 21.311 0.837 17.663 1.00 0.00 C ATOM 149 O GLY A 9 21.226 2.060 17.777 1.00 0.00 O ATOM 0 H GLY A 9 19.859 0.917 15.025 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.583 -0.422 17.594 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.752 -0.738 16.328 1.00 0.00 H new ATOM 153 N LYS A 10 22.300 0.129 18.197 1.00 0.00 N ATOM 154 CA LYS A 10 23.368 0.761 18.963 1.00 0.00 C ATOM 155 C LYS A 10 24.432 1.341 18.036 1.00 0.00 C ATOM 156 O LYS A 10 24.729 2.535 18.085 1.00 0.00 O ATOM 157 CB LYS A 10 24.005 -0.249 19.919 1.00 0.00 C ATOM 158 CG LYS A 10 25.184 0.310 20.698 1.00 0.00 C ATOM 159 CD LYS A 10 24.916 0.307 22.193 1.00 0.00 C ATOM 160 CE LYS A 10 25.982 1.083 22.952 1.00 0.00 C ATOM 161 NZ LYS A 10 25.629 2.523 23.088 1.00 0.00 N ATOM 0 H LYS A 10 22.384 -0.884 18.113 1.00 0.00 H new ATOM 0 HA LYS A 10 22.933 1.575 19.542 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.249 -0.598 20.622 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.336 -1.117 19.349 1.00 0.00 H new ATOM 0 HG2 LYS A 10 26.075 -0.281 20.486 1.00 0.00 H new ATOM 0 HG3 LYS A 10 25.391 1.328 20.367 1.00 0.00 H new ATOM 0 HD2 LYS A 10 23.937 0.745 22.389 1.00 0.00 H new ATOM 0 HD3 LYS A 10 24.885 -0.720 22.556 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.113 0.646 23.942 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.936 0.991 22.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.380 3.017 23.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 25.529 2.947 22.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 24.731 2.613 23.605 1.00 0.00 H new ATOM 175 N THR A 11 25.002 0.489 17.191 1.00 0.00 N ATOM 176 CA THR A 11 26.032 0.916 16.253 1.00 0.00 C ATOM 177 C THR A 11 25.662 0.544 14.822 1.00 0.00 C ATOM 178 O THR A 11 26.529 0.221 14.009 1.00 0.00 O ATOM 179 CB THR A 11 27.399 0.293 16.596 1.00 0.00 C ATOM 180 OG1 THR A 11 27.389 -0.199 17.941 1.00 0.00 O ATOM 181 CG2 THR A 11 28.515 1.313 16.432 1.00 0.00 C ATOM 0 H THR A 11 24.767 -0.502 17.137 1.00 0.00 H new ATOM 0 HA THR A 11 26.104 2.000 16.337 1.00 0.00 H new ATOM 0 HB THR A 11 27.580 -0.533 15.908 1.00 0.00 H new ATOM 0 HG1 THR A 11 28.261 -0.595 18.151 1.00 0.00 H new ATOM 0 HG21 THR A 11 29.470 0.850 16.680 1.00 0.00 H new ATOM 0 HG22 THR A 11 28.538 1.664 15.400 1.00 0.00 H new ATOM 0 HG23 THR A 11 28.337 2.157 17.098 1.00 0.00 H new ATOM 189 N LEU A 12 24.369 0.592 14.519 1.00 0.00 N ATOM 190 CA LEU A 12 23.883 0.260 13.184 1.00 0.00 C ATOM 191 C LEU A 12 22.649 1.084 12.834 1.00 0.00 C ATOM 192 O LEU A 12 21.592 0.931 13.447 1.00 0.00 O ATOM 193 CB LEU A 12 23.557 -1.232 13.095 1.00 0.00 C ATOM 194 CG LEU A 12 23.043 -1.726 11.742 1.00 0.00 C ATOM 195 CD1 LEU A 12 23.939 -1.232 10.617 1.00 0.00 C ATOM 196 CD2 LEU A 12 22.956 -3.246 11.728 1.00 0.00 C ATOM 0 H LEU A 12 23.639 0.858 15.180 1.00 0.00 H new ATOM 0 HA LEU A 12 24.670 0.497 12.468 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.455 -1.796 13.348 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.809 -1.466 13.853 1.00 0.00 H new ATOM 0 HG LEU A 12 22.043 -1.322 11.586 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.557 -1.594 9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.951 -0.142 10.614 1.00 0.00 H new ATOM 0 HD13 LEU A 12 24.952 -1.606 10.768 1.00 0.00 H new ATOM 0 HD21 LEU A 12 22.588 -3.580 10.758 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.945 -3.669 11.907 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.272 -3.579 12.509 1.00 0.00 H new ATOM 208 N LYS A 13 22.788 1.957 11.842 1.00 0.00 N ATOM 209 CA LYS A 13 21.684 2.804 11.406 1.00 0.00 C ATOM 210 C LYS A 13 21.468 2.684 9.901 1.00 0.00 C ATOM 211 O LYS A 13 22.416 2.493 9.141 1.00 0.00 O ATOM 212 CB LYS A 13 21.955 4.263 11.778 1.00 0.00 C ATOM 213 CG LYS A 13 22.621 4.432 13.133 1.00 0.00 C ATOM 214 CD LYS A 13 22.191 5.723 13.809 1.00 0.00 C ATOM 215 CE LYS A 13 22.519 5.710 15.294 1.00 0.00 C ATOM 216 NZ LYS A 13 21.593 6.578 16.074 1.00 0.00 N ATOM 0 H LYS A 13 23.656 2.097 11.324 1.00 0.00 H new ATOM 0 HA LYS A 13 20.780 2.468 11.913 1.00 0.00 H new ATOM 0 HB2 LYS A 13 22.588 4.713 11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 13 21.013 4.811 11.775 1.00 0.00 H new ATOM 0 HG2 LYS A 13 22.369 3.585 13.771 1.00 0.00 H new ATOM 0 HG3 LYS A 13 23.704 4.428 13.010 1.00 0.00 H new ATOM 0 HD2 LYS A 13 22.689 6.568 13.333 1.00 0.00 H new ATOM 0 HD3 LYS A 13 21.119 5.867 13.673 1.00 0.00 H new ATOM 0 HE2 LYS A 13 22.462 4.688 15.670 1.00 0.00 H new ATOM 0 HE3 LYS A 13 23.545 6.048 15.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 21.849 6.542 17.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 21.666 7.558 15.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 20.617 6.241 15.953 1.00 0.00 H new ATOM 230 N GLY A 14 20.213 2.799 9.476 1.00 0.00 N ATOM 231 CA GLY A 14 19.896 2.702 8.064 1.00 0.00 C ATOM 232 C GLY A 14 18.404 2.751 7.800 1.00 0.00 C ATOM 233 O GLY A 14 17.608 2.897 8.727 1.00 0.00 O ATOM 0 H GLY A 14 19.410 2.958 10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 14 20.384 3.517 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 14 20.302 1.772 7.667 1.00 0.00 H new ATOM 237 N GLU A 15 18.025 2.630 6.531 1.00 0.00 N ATOM 238 CA GLU A 15 16.618 2.663 6.149 1.00 0.00 C ATOM 239 C GLU A 15 16.376 1.832 4.892 1.00 0.00 C ATOM 240 O GLU A 15 17.255 1.704 4.039 1.00 0.00 O ATOM 241 CB GLU A 15 16.164 4.106 5.915 1.00 0.00 C ATOM 242 CG GLU A 15 15.114 4.581 6.905 1.00 0.00 C ATOM 243 CD GLU A 15 15.648 5.625 7.866 1.00 0.00 C ATOM 244 OE1 GLU A 15 16.781 5.449 8.362 1.00 0.00 O ATOM 245 OE2 GLU A 15 14.935 6.616 8.123 1.00 0.00 O ATOM 0 H GLU A 15 18.672 2.508 5.752 1.00 0.00 H new ATOM 0 HA GLU A 15 16.036 2.234 6.965 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.031 4.765 5.973 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.765 4.193 4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.266 4.995 6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.742 3.727 7.472 1.00 0.00 H new ATOM 252 N THR A 16 15.177 1.268 4.784 1.00 0.00 N ATOM 253 CA THR A 16 14.818 0.448 3.634 1.00 0.00 C ATOM 254 C THR A 16 13.315 0.480 3.384 1.00 0.00 C ATOM 255 O THR A 16 12.574 1.184 4.071 1.00 0.00 O ATOM 256 CB THR A 16 15.265 -1.013 3.825 1.00 0.00 C ATOM 257 OG1 THR A 16 15.169 -1.721 2.584 1.00 0.00 O ATOM 258 CG2 THR A 16 14.412 -1.707 4.877 1.00 0.00 C ATOM 0 H THR A 16 14.438 1.364 5.480 1.00 0.00 H new ATOM 0 HA THR A 16 15.336 0.868 2.772 1.00 0.00 H new ATOM 0 HB THR A 16 16.301 -1.011 4.163 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.457 -2.649 2.714 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.746 -2.738 4.995 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.509 -1.183 5.828 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.368 -1.698 4.563 1.00 0.00 H new ATOM 266 N THR A 17 12.868 -0.289 2.395 1.00 0.00 N ATOM 267 CA THR A 17 11.452 -0.348 2.053 1.00 0.00 C ATOM 268 C THR A 17 11.075 -1.723 1.513 1.00 0.00 C ATOM 269 O THR A 17 11.942 -2.535 1.191 1.00 0.00 O ATOM 270 CB THR A 17 11.081 0.721 1.009 1.00 0.00 C ATOM 271 OG1 THR A 17 12.004 0.680 -0.085 1.00 0.00 O ATOM 272 CG2 THR A 17 11.086 2.110 1.631 1.00 0.00 C ATOM 0 H THR A 17 13.466 -0.879 1.817 1.00 0.00 H new ATOM 0 HA THR A 17 10.896 -0.156 2.971 1.00 0.00 H new ATOM 0 HB THR A 17 10.076 0.507 0.644 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.760 1.362 -0.745 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.821 2.848 0.874 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.361 2.147 2.444 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.080 2.331 2.021 1.00 0.00 H new ATOM 280 N THR A 18 9.774 -1.978 1.414 1.00 0.00 N ATOM 281 CA THR A 18 9.281 -3.254 0.913 1.00 0.00 C ATOM 282 C THR A 18 7.866 -3.120 0.363 1.00 0.00 C ATOM 283 O THR A 18 7.089 -2.279 0.816 1.00 0.00 O ATOM 284 CB THR A 18 9.292 -4.332 2.013 1.00 0.00 C ATOM 285 OG1 THR A 18 9.344 -5.635 1.422 1.00 0.00 O ATOM 286 CG2 THR A 18 8.057 -4.218 2.894 1.00 0.00 C ATOM 0 H THR A 18 9.043 -1.317 1.675 1.00 0.00 H new ATOM 0 HA THR A 18 9.952 -3.558 0.110 1.00 0.00 H new ATOM 0 HB THR A 18 10.176 -4.179 2.632 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.352 -6.314 2.128 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.087 -4.989 3.664 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.036 -3.236 3.366 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.162 -4.347 2.285 1.00 0.00 H new ATOM 294 N LYS A 19 7.535 -3.955 -0.617 1.00 0.00 N ATOM 295 CA LYS A 19 6.211 -3.931 -1.228 1.00 0.00 C ATOM 296 C LYS A 19 5.397 -5.152 -0.811 1.00 0.00 C ATOM 297 O LYS A 19 5.603 -6.251 -1.323 1.00 0.00 O ATOM 298 CB LYS A 19 6.332 -3.882 -2.753 1.00 0.00 C ATOM 299 CG LYS A 19 5.617 -2.699 -3.382 1.00 0.00 C ATOM 300 CD LYS A 19 4.177 -2.600 -2.907 1.00 0.00 C ATOM 301 CE LYS A 19 3.279 -1.994 -3.974 1.00 0.00 C ATOM 302 NZ LYS A 19 2.834 -3.010 -4.968 1.00 0.00 N ATOM 0 H LYS A 19 8.166 -4.657 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 19 5.694 -3.036 -0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.387 -3.844 -3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.928 -4.804 -3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.147 -1.779 -3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.637 -2.796 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.811 -3.592 -2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.132 -1.992 -2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.407 -1.543 -3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.813 -1.194 -4.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.224 -2.557 -5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.665 -3.423 -5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.302 -3.761 -4.483 1.00 0.00 H new ATOM 316 N ALA A 20 4.471 -4.950 0.121 1.00 0.00 N ATOM 317 CA ALA A 20 3.624 -6.033 0.604 1.00 0.00 C ATOM 318 C ALA A 20 2.149 -5.659 0.512 1.00 0.00 C ATOM 319 O ALA A 20 1.791 -4.483 0.572 1.00 0.00 O ATOM 320 CB ALA A 20 3.992 -6.392 2.036 1.00 0.00 C ATOM 0 H ALA A 20 4.289 -4.046 0.556 1.00 0.00 H new ATOM 0 HA ALA A 20 3.791 -6.903 -0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.351 -7.202 2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.034 -6.711 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.855 -5.521 2.676 1.00 0.00 H new ATOM 326 N VAL A 21 1.295 -6.668 0.365 1.00 0.00 N ATOM 327 CA VAL A 21 -0.142 -6.445 0.266 1.00 0.00 C ATOM 328 C VAL A 21 -0.787 -6.391 1.646 1.00 0.00 C ATOM 329 O VAL A 21 -2.011 -6.337 1.769 1.00 0.00 O ATOM 330 CB VAL A 21 -0.825 -7.547 -0.565 1.00 0.00 C ATOM 331 CG1 VAL A 21 -0.400 -7.458 -2.023 1.00 0.00 C ATOM 332 CG2 VAL A 21 -0.506 -8.920 0.007 1.00 0.00 C ATOM 0 H VAL A 21 1.574 -7.648 0.312 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.279 -5.486 -0.233 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.904 -7.398 -0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.893 -8.245 -2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.683 -6.485 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.681 -7.580 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.997 -9.687 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.572 -9.080 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.864 -8.978 1.035 1.00 0.00 H new ATOM 342 N ASP A 22 0.044 -6.406 2.682 1.00 0.00 N ATOM 343 CA ASP A 22 -0.445 -6.357 4.055 1.00 0.00 C ATOM 344 C ASP A 22 0.715 -6.260 5.042 1.00 0.00 C ATOM 345 O ASP A 22 1.783 -6.829 4.817 1.00 0.00 O ATOM 346 CB ASP A 22 -1.290 -7.595 4.362 1.00 0.00 C ATOM 347 CG ASP A 22 -1.760 -7.631 5.803 1.00 0.00 C ATOM 348 OD1 ASP A 22 -2.045 -6.551 6.361 1.00 0.00 O ATOM 349 OD2 ASP A 22 -1.843 -8.740 6.373 1.00 0.00 O ATOM 0 H ASP A 22 1.059 -6.452 2.597 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.065 -5.467 4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.156 -7.614 3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.707 -8.491 4.150 1.00 0.00 H new ATOM 354 N ALA A 23 0.497 -5.535 6.134 1.00 0.00 N ATOM 355 CA ALA A 23 1.523 -5.365 7.155 1.00 0.00 C ATOM 356 C ALA A 23 2.130 -6.706 7.553 1.00 0.00 C ATOM 357 O ALA A 23 3.306 -6.785 7.904 1.00 0.00 O ATOM 358 CB ALA A 23 0.943 -4.663 8.374 1.00 0.00 C ATOM 0 H ALA A 23 -0.381 -5.056 6.334 1.00 0.00 H new ATOM 0 HA ALA A 23 2.317 -4.747 6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.720 -4.543 9.129 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.564 -3.683 8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.128 -5.260 8.784 1.00 0.00 H new ATOM 364 N GLU A 24 1.318 -7.757 7.497 1.00 0.00 N ATOM 365 CA GLU A 24 1.776 -9.095 7.854 1.00 0.00 C ATOM 366 C GLU A 24 2.782 -9.617 6.832 1.00 0.00 C ATOM 367 O GLU A 24 3.838 -10.137 7.192 1.00 0.00 O ATOM 368 CB GLU A 24 0.589 -10.055 7.954 1.00 0.00 C ATOM 369 CG GLU A 24 0.995 -11.514 8.080 1.00 0.00 C ATOM 370 CD GLU A 24 -0.198 -12.449 8.131 1.00 0.00 C ATOM 371 OE1 GLU A 24 -1.305 -12.019 7.743 1.00 0.00 O ATOM 372 OE2 GLU A 24 -0.025 -13.609 8.558 1.00 0.00 O ATOM 0 H GLU A 24 0.341 -7.708 7.208 1.00 0.00 H new ATOM 0 HA GLU A 24 2.268 -9.035 8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.018 -9.780 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.039 -9.936 7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.629 -11.785 7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.593 -11.644 8.982 1.00 0.00 H new ATOM 379 N THR A 25 2.445 -9.474 5.554 1.00 0.00 N ATOM 380 CA THR A 25 3.316 -9.932 4.478 1.00 0.00 C ATOM 381 C THR A 25 4.650 -9.194 4.500 1.00 0.00 C ATOM 382 O THR A 25 5.696 -9.775 4.212 1.00 0.00 O ATOM 383 CB THR A 25 2.657 -9.737 3.100 1.00 0.00 C ATOM 384 OG1 THR A 25 1.480 -10.548 3.001 1.00 0.00 O ATOM 385 CG2 THR A 25 3.623 -10.098 1.982 1.00 0.00 C ATOM 0 H THR A 25 1.575 -9.045 5.239 1.00 0.00 H new ATOM 0 HA THR A 25 3.489 -10.996 4.642 1.00 0.00 H new ATOM 0 HB THR A 25 2.384 -8.687 2.998 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.066 -10.417 2.123 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.135 -9.952 1.018 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.505 -9.460 2.043 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.923 -11.141 2.083 1.00 0.00 H new ATOM 393 N ALA A 26 4.606 -7.911 4.842 1.00 0.00 N ATOM 394 CA ALA A 26 5.812 -7.095 4.904 1.00 0.00 C ATOM 395 C ALA A 26 6.573 -7.337 6.203 1.00 0.00 C ATOM 396 O ALA A 26 7.776 -7.089 6.283 1.00 0.00 O ATOM 397 CB ALA A 26 5.460 -5.621 4.763 1.00 0.00 C ATOM 0 H ALA A 26 3.748 -7.414 5.080 1.00 0.00 H new ATOM 0 HA ALA A 26 6.459 -7.384 4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.370 -5.023 4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.967 -5.455 3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.790 -5.328 5.572 1.00 0.00 H new ATOM 403 N GLU A 27 5.864 -7.821 7.218 1.00 0.00 N ATOM 404 CA GLU A 27 6.474 -8.095 8.513 1.00 0.00 C ATOM 405 C GLU A 27 7.637 -9.072 8.372 1.00 0.00 C ATOM 406 O GLU A 27 8.783 -8.741 8.676 1.00 0.00 O ATOM 407 CB GLU A 27 5.434 -8.660 9.483 1.00 0.00 C ATOM 408 CG GLU A 27 5.692 -8.292 10.934 1.00 0.00 C ATOM 409 CD GLU A 27 4.626 -8.829 11.870 1.00 0.00 C ATOM 410 OE1 GLU A 27 3.484 -8.326 11.820 1.00 0.00 O ATOM 411 OE2 GLU A 27 4.935 -9.752 12.653 1.00 0.00 O ATOM 0 H GLU A 27 4.867 -8.031 7.168 1.00 0.00 H new ATOM 0 HA GLU A 27 6.858 -7.155 8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.447 -8.298 9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.415 -9.746 9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.665 -8.680 11.236 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.739 -7.207 11.027 1.00 0.00 H new ATOM 418 N LYS A 28 7.334 -10.280 7.908 1.00 0.00 N ATOM 419 CA LYS A 28 8.352 -11.307 7.724 1.00 0.00 C ATOM 420 C LYS A 28 9.546 -10.758 6.950 1.00 0.00 C ATOM 421 O LYS A 28 10.695 -10.941 7.351 1.00 0.00 O ATOM 422 CB LYS A 28 7.763 -12.512 6.986 1.00 0.00 C ATOM 423 CG LYS A 28 7.260 -13.606 7.912 1.00 0.00 C ATOM 424 CD LYS A 28 5.780 -13.878 7.702 1.00 0.00 C ATOM 425 CE LYS A 28 5.199 -14.707 8.838 1.00 0.00 C ATOM 426 NZ LYS A 28 3.790 -14.329 9.136 1.00 0.00 N ATOM 0 H LYS A 28 6.391 -10.572 7.652 1.00 0.00 H new ATOM 0 HA LYS A 28 8.695 -11.624 8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.940 -12.175 6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.522 -12.929 6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.827 -14.520 7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.434 -13.315 8.948 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.242 -12.933 7.628 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.636 -14.402 6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.244 -15.764 8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.808 -14.574 9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.430 -14.916 9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.750 -13.327 9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.204 -14.480 8.290 1.00 0.00 H new ATOM 440 N ALA A 29 9.266 -10.083 5.840 1.00 0.00 N ATOM 441 CA ALA A 29 10.317 -9.504 5.012 1.00 0.00 C ATOM 442 C ALA A 29 11.100 -8.446 5.781 1.00 0.00 C ATOM 443 O ALA A 29 12.303 -8.280 5.578 1.00 0.00 O ATOM 444 CB ALA A 29 9.722 -8.907 3.745 1.00 0.00 C ATOM 0 H ALA A 29 8.320 -9.924 5.493 1.00 0.00 H new ATOM 0 HA ALA A 29 11.008 -10.300 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.518 -8.478 3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.213 -9.687 3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.008 -8.127 4.011 1.00 0.00 H new ATOM 450 N PHE A 30 10.411 -7.730 6.664 1.00 0.00 N ATOM 451 CA PHE A 30 11.043 -6.686 7.462 1.00 0.00 C ATOM 452 C PHE A 30 11.867 -7.291 8.594 1.00 0.00 C ATOM 453 O PHE A 30 12.866 -6.715 9.027 1.00 0.00 O ATOM 454 CB PHE A 30 9.984 -5.742 8.035 1.00 0.00 C ATOM 455 CG PHE A 30 9.625 -4.613 7.111 1.00 0.00 C ATOM 456 CD1 PHE A 30 10.612 -3.907 6.443 1.00 0.00 C ATOM 457 CD2 PHE A 30 8.301 -4.257 6.913 1.00 0.00 C ATOM 458 CE1 PHE A 30 10.286 -2.867 5.592 1.00 0.00 C ATOM 459 CE2 PHE A 30 7.968 -3.219 6.063 1.00 0.00 C ATOM 460 CZ PHE A 30 8.962 -2.522 5.403 1.00 0.00 C ATOM 0 H PHE A 30 9.415 -7.854 6.845 1.00 0.00 H new ATOM 0 HA PHE A 30 11.711 -6.120 6.812 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.085 -6.314 8.264 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.347 -5.329 8.976 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.649 -4.172 6.589 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.520 -4.796 7.428 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.065 -2.326 5.076 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.932 -2.953 5.915 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.704 -1.709 4.741 1.00 0.00 H new ATOM 470 N LYS A 31 11.442 -8.456 9.070 1.00 0.00 N ATOM 471 CA LYS A 31 12.140 -9.142 10.152 1.00 0.00 C ATOM 472 C LYS A 31 13.350 -9.904 9.622 1.00 0.00 C ATOM 473 O LYS A 31 14.419 -9.888 10.231 1.00 0.00 O ATOM 474 CB LYS A 31 11.190 -10.105 10.869 1.00 0.00 C ATOM 475 CG LYS A 31 10.029 -9.412 11.560 1.00 0.00 C ATOM 476 CD LYS A 31 9.982 -9.747 13.042 1.00 0.00 C ATOM 477 CE LYS A 31 9.028 -10.897 13.323 1.00 0.00 C ATOM 478 NZ LYS A 31 9.513 -11.760 14.436 1.00 0.00 N ATOM 0 H LYS A 31 10.617 -8.946 8.724 1.00 0.00 H new ATOM 0 HA LYS A 31 12.489 -8.391 10.860 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.797 -10.820 10.146 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.753 -10.675 11.608 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.120 -8.333 11.433 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.093 -9.711 11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.982 -10.009 13.389 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.670 -8.868 13.605 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.044 -10.500 13.573 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.909 -11.499 12.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.835 -12.532 14.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.440 -12.159 14.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.602 -11.192 15.302 1.00 0.00 H new ATOM 492 N GLN A 32 13.173 -10.569 8.485 1.00 0.00 N ATOM 493 CA GLN A 32 14.252 -11.336 7.874 1.00 0.00 C ATOM 494 C GLN A 32 15.507 -10.484 7.719 1.00 0.00 C ATOM 495 O GLN A 32 16.601 -10.897 8.104 1.00 0.00 O ATOM 496 CB GLN A 32 13.815 -11.873 6.509 1.00 0.00 C ATOM 497 CG GLN A 32 14.948 -12.495 5.709 1.00 0.00 C ATOM 498 CD GLN A 32 14.639 -13.910 5.263 1.00 0.00 C ATOM 499 OE1 GLN A 32 13.936 -14.651 5.950 1.00 0.00 O ATOM 500 NE2 GLN A 32 15.165 -14.294 4.105 1.00 0.00 N ATOM 0 H GLN A 32 12.294 -10.592 7.969 1.00 0.00 H new ATOM 0 HA GLN A 32 14.483 -12.175 8.530 1.00 0.00 H new ATOM 0 HB2 GLN A 32 13.032 -12.618 6.654 1.00 0.00 H new ATOM 0 HB3 GLN A 32 13.377 -11.059 5.931 1.00 0.00 H new ATOM 0 HG2 GLN A 32 15.151 -11.878 4.833 1.00 0.00 H new ATOM 0 HG3 GLN A 32 15.855 -12.499 6.313 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.742 -13.647 3.568 1.00 0.00 H new ATOM 0 HE22 GLN A 32 14.992 -15.236 3.753 1.00 0.00 H new ATOM 509 N TYR A 33 15.341 -9.293 7.154 1.00 0.00 N ATOM 510 CA TYR A 33 16.461 -8.383 6.947 1.00 0.00 C ATOM 511 C TYR A 33 17.114 -8.011 8.275 1.00 0.00 C ATOM 512 O TYR A 33 18.269 -7.587 8.314 1.00 0.00 O ATOM 513 CB TYR A 33 15.992 -7.119 6.225 1.00 0.00 C ATOM 514 CG TYR A 33 17.083 -6.090 6.034 1.00 0.00 C ATOM 515 CD1 TYR A 33 17.362 -5.154 7.023 1.00 0.00 C ATOM 516 CD2 TYR A 33 17.834 -6.053 4.866 1.00 0.00 C ATOM 517 CE1 TYR A 33 18.358 -4.211 6.853 1.00 0.00 C ATOM 518 CE2 TYR A 33 18.832 -5.115 4.688 1.00 0.00 C ATOM 519 CZ TYR A 33 19.090 -4.196 5.684 1.00 0.00 C ATOM 520 OH TYR A 33 20.083 -3.259 5.510 1.00 0.00 O ATOM 0 H TYR A 33 14.442 -8.936 6.831 1.00 0.00 H new ATOM 0 HA TYR A 33 17.201 -8.893 6.330 1.00 0.00 H new ATOM 0 HB2 TYR A 33 15.590 -7.396 5.250 1.00 0.00 H new ATOM 0 HB3 TYR A 33 15.175 -6.670 6.790 1.00 0.00 H new ATOM 0 HD1 TYR A 33 16.791 -5.164 7.940 1.00 0.00 H new ATOM 0 HD2 TYR A 33 17.634 -6.770 4.084 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.562 -3.490 7.631 1.00 0.00 H new ATOM 0 HE2 TYR A 33 19.407 -5.101 3.774 1.00 0.00 H new ATOM 0 HH TYR A 33 20.503 -3.386 4.634 1.00 0.00 H new ATOM 530 N ALA A 34 16.366 -8.175 9.361 1.00 0.00 N ATOM 531 CA ALA A 34 16.872 -7.860 10.691 1.00 0.00 C ATOM 532 C ALA A 34 17.967 -8.836 11.108 1.00 0.00 C ATOM 533 O ALA A 34 19.100 -8.436 11.371 1.00 0.00 O ATOM 534 CB ALA A 34 15.737 -7.874 11.704 1.00 0.00 C ATOM 0 H ALA A 34 15.408 -8.524 9.346 1.00 0.00 H new ATOM 0 HA ALA A 34 17.305 -6.860 10.660 1.00 0.00 H new ATOM 0 HB1 ALA A 34 16.129 -7.637 12.693 1.00 0.00 H new ATOM 0 HB2 ALA A 34 14.989 -7.132 11.423 1.00 0.00 H new ATOM 0 HB3 ALA A 34 15.278 -8.863 11.723 1.00 0.00 H new ATOM 540 N ASN A 35 17.620 -10.117 11.166 1.00 0.00 N ATOM 541 CA ASN A 35 18.574 -11.151 11.553 1.00 0.00 C ATOM 542 C ASN A 35 19.816 -11.103 10.667 1.00 0.00 C ATOM 543 O ASN A 35 20.921 -11.410 11.113 1.00 0.00 O ATOM 544 CB ASN A 35 17.924 -12.533 11.466 1.00 0.00 C ATOM 545 CG ASN A 35 18.294 -13.266 10.191 1.00 0.00 C ATOM 546 OD1 ASN A 35 17.952 -12.832 9.090 1.00 0.00 O ATOM 547 ND2 ASN A 35 18.995 -14.385 10.333 1.00 0.00 N ATOM 0 H ASN A 35 16.686 -10.465 10.950 1.00 0.00 H new ATOM 0 HA ASN A 35 18.877 -10.965 12.583 1.00 0.00 H new ATOM 0 HB2 ASN A 35 18.228 -13.129 12.326 1.00 0.00 H new ATOM 0 HB3 ASN A 35 16.841 -12.426 11.519 1.00 0.00 H new ATOM 0 HD21 ASN A 35 19.271 -14.921 9.511 1.00 0.00 H new ATOM 0 HD22 ASN A 35 19.257 -14.708 11.264 1.00 0.00 H new ATOM 554 N ASP A 36 19.625 -10.716 9.411 1.00 0.00 N ATOM 555 CA ASP A 36 20.728 -10.627 8.462 1.00 0.00 C ATOM 556 C ASP A 36 21.905 -9.868 9.067 1.00 0.00 C ATOM 557 O ASP A 36 23.056 -10.285 8.941 1.00 0.00 O ATOM 558 CB ASP A 36 20.269 -9.938 7.176 1.00 0.00 C ATOM 559 CG ASP A 36 19.236 -10.752 6.421 1.00 0.00 C ATOM 560 OD1 ASP A 36 18.911 -11.867 6.877 1.00 0.00 O ATOM 561 OD2 ASP A 36 18.754 -10.273 5.372 1.00 0.00 O ATOM 0 H ASP A 36 18.716 -10.459 9.026 1.00 0.00 H new ATOM 0 HA ASP A 36 21.054 -11.640 8.226 1.00 0.00 H new ATOM 0 HB2 ASP A 36 19.851 -8.961 7.420 1.00 0.00 H new ATOM 0 HB3 ASP A 36 21.131 -9.764 6.533 1.00 0.00 H new ATOM 566 N ASN A 37 21.608 -8.751 9.723 1.00 0.00 N ATOM 567 CA ASN A 37 22.642 -7.933 10.347 1.00 0.00 C ATOM 568 C ASN A 37 22.588 -8.054 11.867 1.00 0.00 C ATOM 569 O ASN A 37 22.949 -7.125 12.587 1.00 0.00 O ATOM 570 CB ASN A 37 22.479 -6.468 9.935 1.00 0.00 C ATOM 571 CG ASN A 37 22.504 -6.284 8.430 1.00 0.00 C ATOM 572 OD1 ASN A 37 21.632 -5.629 7.859 1.00 0.00 O ATOM 573 ND2 ASN A 37 23.506 -6.864 7.780 1.00 0.00 N ATOM 0 H ASN A 37 20.660 -8.392 9.836 1.00 0.00 H new ATOM 0 HA ASN A 37 23.612 -8.295 10.006 1.00 0.00 H new ATOM 0 HB2 ASN A 37 21.538 -6.085 10.329 1.00 0.00 H new ATOM 0 HB3 ASN A 37 23.277 -5.876 10.384 1.00 0.00 H new ATOM 0 HD21 ASN A 37 23.575 -6.776 6.766 1.00 0.00 H new ATOM 0 HD22 ASN A 37 24.207 -7.398 8.295 1.00 0.00 H new ATOM 580 N GLY A 38 22.136 -9.208 12.347 1.00 0.00 N ATOM 581 CA GLY A 38 22.044 -9.431 13.779 1.00 0.00 C ATOM 582 C GLY A 38 21.301 -8.319 14.492 1.00 0.00 C ATOM 583 O GLY A 38 21.633 -7.967 15.624 1.00 0.00 O ATOM 0 H GLY A 38 21.832 -9.993 11.771 1.00 0.00 H new ATOM 0 HA2 GLY A 38 21.538 -10.379 13.964 1.00 0.00 H new ATOM 0 HA3 GLY A 38 23.048 -9.518 14.195 1.00 0.00 H new ATOM 587 N VAL A 39 20.292 -7.763 13.828 1.00 0.00 N ATOM 588 CA VAL A 39 19.499 -6.684 14.406 1.00 0.00 C ATOM 589 C VAL A 39 18.210 -7.217 15.020 1.00 0.00 C ATOM 590 O VAL A 39 17.312 -7.668 14.308 1.00 0.00 O ATOM 591 CB VAL A 39 19.150 -5.618 13.350 1.00 0.00 C ATOM 592 CG1 VAL A 39 18.290 -4.522 13.962 1.00 0.00 C ATOM 593 CG2 VAL A 39 20.418 -5.035 12.743 1.00 0.00 C ATOM 0 H VAL A 39 20.005 -8.042 12.890 1.00 0.00 H new ATOM 0 HA VAL A 39 20.107 -6.227 15.187 1.00 0.00 H new ATOM 0 HB VAL A 39 18.578 -6.094 12.553 1.00 0.00 H new ATOM 0 HG11 VAL A 39 18.053 -3.778 13.201 1.00 0.00 H new ATOM 0 HG12 VAL A 39 17.366 -4.956 14.345 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.833 -4.046 14.778 1.00 0.00 H new ATOM 0 HG21 VAL A 39 20.153 -4.284 11.999 1.00 0.00 H new ATOM 0 HG22 VAL A 39 21.018 -4.573 13.527 1.00 0.00 H new ATOM 0 HG23 VAL A 39 20.992 -5.830 12.267 1.00 0.00 H new ATOM 603 N ASP A 40 18.125 -7.162 16.344 1.00 0.00 N ATOM 604 CA ASP A 40 16.944 -7.637 17.055 1.00 0.00 C ATOM 605 C ASP A 40 16.476 -6.609 18.080 1.00 0.00 C ATOM 606 O ASP A 40 17.217 -6.245 18.992 1.00 0.00 O ATOM 607 CB ASP A 40 17.241 -8.968 17.748 1.00 0.00 C ATOM 608 CG ASP A 40 16.016 -9.856 17.845 1.00 0.00 C ATOM 609 OD1 ASP A 40 14.912 -9.386 17.497 1.00 0.00 O ATOM 610 OD2 ASP A 40 16.161 -11.022 18.269 1.00 0.00 O ATOM 0 H ASP A 40 18.860 -6.793 16.947 1.00 0.00 H new ATOM 0 HA ASP A 40 16.147 -7.785 16.326 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.024 -9.493 17.201 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.627 -8.775 18.749 1.00 0.00 H new ATOM 615 N GLY A 41 15.240 -6.144 17.923 1.00 0.00 N ATOM 616 CA GLY A 41 14.695 -5.161 18.842 1.00 0.00 C ATOM 617 C GLY A 41 13.186 -5.247 18.954 1.00 0.00 C ATOM 618 O GLY A 41 12.604 -6.319 18.790 1.00 0.00 O ATOM 0 H GLY A 41 14.607 -6.430 17.176 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.138 -5.304 19.827 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.975 -4.162 18.509 1.00 0.00 H new ATOM 622 N VAL A 42 12.550 -4.115 19.236 1.00 0.00 N ATOM 623 CA VAL A 42 11.099 -4.066 19.371 1.00 0.00 C ATOM 624 C VAL A 42 10.444 -3.570 18.087 1.00 0.00 C ATOM 625 O VAL A 42 10.801 -2.515 17.563 1.00 0.00 O ATOM 626 CB VAL A 42 10.674 -3.153 20.536 1.00 0.00 C ATOM 627 CG1 VAL A 42 11.175 -3.709 21.861 1.00 0.00 C ATOM 628 CG2 VAL A 42 11.184 -1.736 20.316 1.00 0.00 C ATOM 0 H VAL A 42 13.017 -3.219 19.376 1.00 0.00 H new ATOM 0 HA VAL A 42 10.766 -5.083 19.576 1.00 0.00 H new ATOM 0 HB VAL A 42 9.585 -3.121 20.571 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.865 -3.050 22.672 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.756 -4.703 22.020 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.263 -3.773 21.841 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.874 -1.105 21.149 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.272 -1.747 20.254 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.771 -1.341 19.388 1.00 0.00 H new ATOM 638 N TRP A 43 9.483 -4.338 17.585 1.00 0.00 N ATOM 639 CA TRP A 43 8.777 -3.977 16.361 1.00 0.00 C ATOM 640 C TRP A 43 7.513 -3.185 16.675 1.00 0.00 C ATOM 641 O TRP A 43 6.605 -3.683 17.342 1.00 0.00 O ATOM 642 CB TRP A 43 8.422 -5.232 15.563 1.00 0.00 C ATOM 643 CG TRP A 43 9.618 -5.927 14.985 1.00 0.00 C ATOM 644 CD1 TRP A 43 10.199 -7.076 15.442 1.00 0.00 C ATOM 645 CD2 TRP A 43 10.380 -5.516 13.845 1.00 0.00 C ATOM 646 NE1 TRP A 43 11.276 -7.404 14.655 1.00 0.00 N ATOM 647 CE2 TRP A 43 11.408 -6.463 13.667 1.00 0.00 C ATOM 648 CE3 TRP A 43 10.293 -4.442 12.955 1.00 0.00 C ATOM 649 CZ2 TRP A 43 12.340 -6.366 12.638 1.00 0.00 C ATOM 650 CZ3 TRP A 43 11.219 -4.346 11.934 1.00 0.00 C ATOM 651 CH2 TRP A 43 12.231 -5.304 11.782 1.00 0.00 C ATOM 0 H TRP A 43 9.175 -5.214 18.007 1.00 0.00 H new ATOM 0 HA TRP A 43 9.437 -3.349 15.762 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.885 -5.926 16.210 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.743 -4.960 14.755 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.861 -7.643 16.297 1.00 0.00 H new ATOM 0 HE1 TRP A 43 11.880 -8.216 14.785 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.516 -3.700 13.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 13.121 -7.102 12.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 11.162 -3.519 11.242 1.00 0.00 H new ATOM 0 HH2 TRP A 43 12.939 -5.202 10.973 1.00 0.00 H new ATOM 662 N THR A 44 7.459 -1.948 16.191 1.00 0.00 N ATOM 663 CA THR A 44 6.306 -1.087 16.422 1.00 0.00 C ATOM 664 C THR A 44 5.880 -0.383 15.138 1.00 0.00 C ATOM 665 O THR A 44 6.696 0.243 14.462 1.00 0.00 O ATOM 666 CB THR A 44 6.602 -0.028 17.500 1.00 0.00 C ATOM 667 OG1 THR A 44 7.926 0.489 17.329 1.00 0.00 O ATOM 668 CG2 THR A 44 6.460 -0.621 18.894 1.00 0.00 C ATOM 0 H THR A 44 8.201 -1.520 15.637 1.00 0.00 H new ATOM 0 HA THR A 44 5.496 -1.730 16.768 1.00 0.00 H new ATOM 0 HB THR A 44 5.880 0.781 17.391 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.105 1.163 18.017 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.674 0.145 19.639 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.443 -0.987 19.032 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.162 -1.447 19.011 1.00 0.00 H new ATOM 676 N TYR A 45 4.597 -0.489 14.809 1.00 0.00 N ATOM 677 CA TYR A 45 4.063 0.136 13.605 1.00 0.00 C ATOM 678 C TYR A 45 2.601 0.526 13.796 1.00 0.00 C ATOM 679 O TYR A 45 1.835 -0.190 14.441 1.00 0.00 O ATOM 680 CB TYR A 45 4.198 -0.810 12.410 1.00 0.00 C ATOM 681 CG TYR A 45 2.925 -1.555 12.081 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.572 -2.707 12.773 1.00 0.00 C ATOM 683 CD2 TYR A 45 2.073 -1.106 11.079 1.00 0.00 C ATOM 684 CE1 TYR A 45 1.409 -3.392 12.475 1.00 0.00 C ATOM 685 CE2 TYR A 45 0.908 -1.784 10.775 1.00 0.00 C ATOM 686 CZ TYR A 45 0.581 -2.926 11.476 1.00 0.00 C ATOM 687 OH TYR A 45 -0.579 -3.604 11.177 1.00 0.00 O ATOM 0 H TYR A 45 3.908 -1.002 15.359 1.00 0.00 H new ATOM 0 HA TYR A 45 4.639 1.041 13.411 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.509 -0.237 11.537 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.988 -1.532 12.616 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.218 -3.074 13.557 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.326 -0.212 10.529 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.150 -4.287 13.021 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.257 -1.422 9.993 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.049 -3.144 10.450 1.00 0.00 H new ATOM 697 N ASP A 46 2.221 1.666 13.230 1.00 0.00 N ATOM 698 CA ASP A 46 0.850 2.153 13.335 1.00 0.00 C ATOM 699 C ASP A 46 0.115 2.000 12.007 1.00 0.00 C ATOM 700 O ASP A 46 0.688 2.225 10.941 1.00 0.00 O ATOM 701 CB ASP A 46 0.839 3.618 13.773 1.00 0.00 C ATOM 702 CG ASP A 46 -0.500 4.286 13.527 1.00 0.00 C ATOM 703 OD1 ASP A 46 -1.536 3.689 13.888 1.00 0.00 O ATOM 704 OD2 ASP A 46 -0.512 5.405 12.974 1.00 0.00 O ATOM 0 H ASP A 46 2.843 2.271 12.693 1.00 0.00 H new ATOM 0 HA ASP A 46 0.334 1.554 14.085 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.083 3.679 14.834 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.617 4.161 13.236 1.00 0.00 H new ATOM 709 N ASP A 47 -1.154 1.616 12.080 1.00 0.00 N ATOM 710 CA ASP A 47 -1.968 1.433 10.884 1.00 0.00 C ATOM 711 C ASP A 47 -1.991 2.706 10.043 1.00 0.00 C ATOM 712 O ASP A 47 -1.751 2.669 8.837 1.00 0.00 O ATOM 713 CB ASP A 47 -3.393 1.033 11.266 1.00 0.00 C ATOM 714 CG ASP A 47 -4.409 1.434 10.215 1.00 0.00 C ATOM 715 OD1 ASP A 47 -4.350 0.888 9.094 1.00 0.00 O ATOM 716 OD2 ASP A 47 -5.264 2.294 10.514 1.00 0.00 O ATOM 0 H ASP A 47 -1.642 1.425 12.955 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.523 0.634 10.290 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.436 -0.046 11.416 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.655 1.498 12.216 1.00 0.00 H new ATOM 721 N ALA A 48 -2.284 3.830 10.689 1.00 0.00 N ATOM 722 CA ALA A 48 -2.339 5.114 10.001 1.00 0.00 C ATOM 723 C ALA A 48 -1.083 5.344 9.168 1.00 0.00 C ATOM 724 O ALA A 48 -1.153 5.839 8.042 1.00 0.00 O ATOM 725 CB ALA A 48 -2.523 6.243 11.004 1.00 0.00 C ATOM 0 H ALA A 48 -2.487 3.877 11.688 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.194 5.100 9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.562 7.196 10.476 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.453 6.094 11.553 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.686 6.249 11.702 1.00 0.00 H new ATOM 731 N THR A 49 0.068 4.983 9.727 1.00 0.00 N ATOM 732 CA THR A 49 1.340 5.152 9.037 1.00 0.00 C ATOM 733 C THR A 49 1.840 3.827 8.473 1.00 0.00 C ATOM 734 O THR A 49 1.175 2.798 8.596 1.00 0.00 O ATOM 735 CB THR A 49 2.414 5.736 9.973 1.00 0.00 C ATOM 736 OG1 THR A 49 3.560 6.139 9.214 1.00 0.00 O ATOM 737 CG2 THR A 49 2.829 4.717 11.024 1.00 0.00 C ATOM 0 H THR A 49 0.145 4.571 10.657 1.00 0.00 H new ATOM 0 HA THR A 49 1.164 5.849 8.218 1.00 0.00 H new ATOM 0 HB THR A 49 1.990 6.604 10.478 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.237 6.511 9.817 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.588 5.153 11.673 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.961 4.435 11.620 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.235 3.833 10.533 1.00 0.00 H new ATOM 745 N LYS A 50 3.015 3.858 7.854 1.00 0.00 N ATOM 746 CA LYS A 50 3.607 2.659 7.273 1.00 0.00 C ATOM 747 C LYS A 50 5.113 2.625 7.510 1.00 0.00 C ATOM 748 O LYS A 50 5.875 2.150 6.667 1.00 0.00 O ATOM 749 CB LYS A 50 3.315 2.598 5.772 1.00 0.00 C ATOM 750 CG LYS A 50 1.836 2.687 5.436 1.00 0.00 C ATOM 751 CD LYS A 50 1.501 3.992 4.733 1.00 0.00 C ATOM 752 CE LYS A 50 1.225 5.107 5.731 1.00 0.00 C ATOM 753 NZ LYS A 50 0.575 6.281 5.084 1.00 0.00 N ATOM 0 H LYS A 50 3.577 4.702 7.742 1.00 0.00 H new ATOM 0 HA LYS A 50 3.161 1.792 7.760 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.842 3.412 5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.715 1.667 5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.555 1.848 4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.249 2.604 6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.328 4.280 4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.629 3.849 4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.584 4.731 6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.161 5.419 6.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.403 7.019 5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.197 6.656 4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.330 5.989 4.663 1.00 0.00 H new ATOM 767 N THR A 51 5.538 3.131 8.664 1.00 0.00 N ATOM 768 CA THR A 51 6.953 3.158 9.012 1.00 0.00 C ATOM 769 C THR A 51 7.250 2.221 10.177 1.00 0.00 C ATOM 770 O THR A 51 6.673 2.354 11.256 1.00 0.00 O ATOM 771 CB THR A 51 7.413 4.581 9.382 1.00 0.00 C ATOM 772 OG1 THR A 51 7.315 5.440 8.240 1.00 0.00 O ATOM 773 CG2 THR A 51 8.845 4.570 9.893 1.00 0.00 C ATOM 0 H THR A 51 4.922 3.528 9.373 1.00 0.00 H new ATOM 0 HA THR A 51 7.502 2.824 8.132 1.00 0.00 H new ATOM 0 HB THR A 51 6.764 4.955 10.174 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.608 6.343 8.484 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.148 5.585 10.148 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.910 3.938 10.779 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.505 4.178 9.119 1.00 0.00 H new ATOM 781 N PHE A 52 8.155 1.275 9.953 1.00 0.00 N ATOM 782 CA PHE A 52 8.530 0.315 10.985 1.00 0.00 C ATOM 783 C PHE A 52 9.919 0.622 11.534 1.00 0.00 C ATOM 784 O PHE A 52 10.832 0.975 10.787 1.00 0.00 O ATOM 785 CB PHE A 52 8.493 -1.109 10.424 1.00 0.00 C ATOM 786 CG PHE A 52 7.108 -1.589 10.097 1.00 0.00 C ATOM 787 CD1 PHE A 52 6.372 -0.987 9.089 1.00 0.00 C ATOM 788 CD2 PHE A 52 6.542 -2.642 10.798 1.00 0.00 C ATOM 789 CE1 PHE A 52 5.098 -1.427 8.785 1.00 0.00 C ATOM 790 CE2 PHE A 52 5.268 -3.086 10.498 1.00 0.00 C ATOM 791 CZ PHE A 52 4.545 -2.477 9.491 1.00 0.00 C ATOM 0 H PHE A 52 8.643 1.152 9.066 1.00 0.00 H new ATOM 0 HA PHE A 52 7.811 0.396 11.800 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.106 -1.152 9.524 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.943 -1.788 11.148 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.799 -0.164 8.535 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.103 -3.121 11.587 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.535 -0.950 7.996 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.838 -3.908 11.051 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.549 -2.821 9.256 1.00 0.00 H new ATOM 801 N THR A 53 10.073 0.485 12.848 1.00 0.00 N ATOM 802 CA THR A 53 11.350 0.748 13.499 1.00 0.00 C ATOM 803 C THR A 53 11.746 -0.401 14.419 1.00 0.00 C ATOM 804 O THR A 53 10.890 -1.063 15.006 1.00 0.00 O ATOM 805 CB THR A 53 11.304 2.053 14.317 1.00 0.00 C ATOM 806 OG1 THR A 53 10.808 3.123 13.506 1.00 0.00 O ATOM 807 CG2 THR A 53 12.686 2.409 14.845 1.00 0.00 C ATOM 0 H THR A 53 9.329 0.193 13.482 1.00 0.00 H new ATOM 0 HA THR A 53 12.093 0.848 12.708 1.00 0.00 H new ATOM 0 HB THR A 53 10.636 1.901 15.165 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.780 3.948 14.034 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.629 3.334 15.419 1.00 0.00 H new ATOM 0 HG22 THR A 53 13.049 1.605 15.486 1.00 0.00 H new ATOM 0 HG23 THR A 53 13.372 2.543 14.008 1.00 0.00 H new ATOM 815 N VAL A 54 13.049 -0.633 14.542 1.00 0.00 N ATOM 816 CA VAL A 54 13.558 -1.702 15.392 1.00 0.00 C ATOM 817 C VAL A 54 14.748 -1.227 16.219 1.00 0.00 C ATOM 818 O VAL A 54 15.794 -0.871 15.675 1.00 0.00 O ATOM 819 CB VAL A 54 13.982 -2.927 14.561 1.00 0.00 C ATOM 820 CG1 VAL A 54 14.953 -2.519 13.464 1.00 0.00 C ATOM 821 CG2 VAL A 54 14.594 -3.993 15.457 1.00 0.00 C ATOM 0 H VAL A 54 13.771 -0.095 14.064 1.00 0.00 H new ATOM 0 HA VAL A 54 12.746 -1.989 16.060 1.00 0.00 H new ATOM 0 HB VAL A 54 13.094 -3.348 14.089 1.00 0.00 H new ATOM 0 HG11 VAL A 54 15.241 -3.398 12.888 1.00 0.00 H new ATOM 0 HG12 VAL A 54 14.474 -1.794 12.805 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.841 -2.072 13.912 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.888 -4.851 14.853 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.471 -3.586 15.960 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.862 -4.307 16.201 1.00 0.00 H new ATOM 831 N THR A 55 14.582 -1.223 17.538 1.00 0.00 N ATOM 832 CA THR A 55 15.641 -0.791 18.441 1.00 0.00 C ATOM 833 C THR A 55 16.127 -1.945 19.310 1.00 0.00 C ATOM 834 O THR A 55 15.348 -2.549 20.047 1.00 0.00 O ATOM 835 CB THR A 55 15.170 0.359 19.350 1.00 0.00 C ATOM 836 OG1 THR A 55 16.139 0.600 20.377 1.00 0.00 O ATOM 837 CG2 THR A 55 13.825 0.033 19.982 1.00 0.00 C ATOM 0 H THR A 55 13.723 -1.514 18.005 1.00 0.00 H new ATOM 0 HA THR A 55 16.463 -0.438 17.818 1.00 0.00 H new ATOM 0 HB THR A 55 15.059 1.254 18.738 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.833 1.334 20.950 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.513 0.860 20.620 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.083 -0.122 19.199 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.915 -0.873 20.581 1.00 0.00 H new ATOM 845 N GLU A 56 17.419 -2.246 19.220 1.00 0.00 N ATOM 846 CA GLU A 56 18.007 -3.328 20.000 1.00 0.00 C ATOM 847 C GLU A 56 18.192 -2.912 21.456 1.00 0.00 C ATOM 848 O GLU A 56 18.173 -3.771 22.336 1.00 0.00 O ATOM 849 CB GLU A 56 19.353 -3.744 19.402 1.00 0.00 C ATOM 850 CG GLU A 56 19.236 -4.400 18.036 1.00 0.00 C ATOM 851 CD GLU A 56 20.174 -3.789 17.014 1.00 0.00 C ATOM 852 OE1 GLU A 56 21.370 -4.148 17.017 1.00 0.00 O ATOM 853 OE2 GLU A 56 19.713 -2.952 16.210 1.00 0.00 O ATOM 0 H GLU A 56 18.078 -1.756 18.615 1.00 0.00 H new ATOM 0 HA GLU A 56 17.324 -4.177 19.967 1.00 0.00 H new ATOM 0 HB2 GLU A 56 19.992 -2.865 19.320 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.847 -4.434 20.086 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.450 -5.465 18.129 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.209 -4.311 17.681 1.00 0.00 H new TER 860 GLU A 56