USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 420 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 50 THR OG1 : rot -90:sc= 0.232 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 1 MET CE :methyl 140:sc= -0.204 (180deg=-0.48) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0.691 (180deg=0.682) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot -98:sc= 0.00319 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.0592 X(o=0.059,f=-0.11) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -160:sc=0.000568 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= -0.911 K(o=-0.91,f=-1.7) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.0011) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -169:sc= 1.23 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.401 0.780 1.951 1.00 0.00 N ATOM 2 CA MET A 1 -15.595 -0.218 0.886 1.00 0.00 C ATOM 3 C MET A 1 -15.068 -1.592 1.279 1.00 0.00 C ATOM 4 O MET A 1 -15.699 -2.588 0.913 1.00 0.00 O ATOM 5 CB MET A 1 -14.992 0.246 -0.447 1.00 0.00 C ATOM 6 CG MET A 1 -15.449 -0.634 -1.615 1.00 0.00 C ATOM 7 SD MET A 1 -14.709 -0.223 -3.213 1.00 0.00 S ATOM 8 CE MET A 1 -15.627 1.270 -3.618 1.00 0.00 C ATOM 0 H1 MET A 1 -15.835 1.681 1.666 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.847 0.443 2.828 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.383 0.922 2.113 1.00 0.00 H new ATOM 0 HA MET A 1 -16.672 -0.315 0.746 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.281 1.280 -0.636 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.904 0.226 -0.381 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.218 -1.673 -1.380 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.533 -0.561 -1.703 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.954 2.000 -4.069 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.424 1.028 -4.321 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.060 1.689 -2.709 1.00 0.00 H new ATOM 18 N GLY A 2 -13.927 -1.685 1.964 1.00 0.00 N ATOM 19 CA GLY A 2 -13.330 -2.938 2.387 1.00 0.00 C ATOM 20 C GLY A 2 -12.044 -2.658 3.155 1.00 0.00 C ATOM 21 O GLY A 2 -11.701 -1.497 3.398 1.00 0.00 O ATOM 0 H GLY A 2 -13.385 -0.867 2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.028 -3.491 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.119 -3.563 1.519 1.00 0.00 H new ATOM 25 N THR A 3 -11.339 -3.728 3.512 1.00 0.00 N ATOM 26 CA THR A 3 -10.085 -3.705 4.246 1.00 0.00 C ATOM 27 C THR A 3 -8.997 -4.011 3.215 1.00 0.00 C ATOM 28 O THR A 3 -8.989 -5.095 2.624 1.00 0.00 O ATOM 29 CB THR A 3 -10.167 -4.655 5.468 1.00 0.00 C ATOM 30 OG1 THR A 3 -8.883 -4.990 5.960 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.913 -5.980 5.240 1.00 0.00 C ATOM 0 H THR A 3 -11.643 -4.675 3.286 1.00 0.00 H new ATOM 0 HA THR A 3 -9.847 -2.743 4.700 1.00 0.00 H new ATOM 0 HB THR A 3 -10.743 -4.066 6.182 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.974 -5.589 6.731 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.908 -6.564 6.161 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.942 -5.772 4.948 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.418 -6.545 4.450 1.00 0.00 H new ATOM 39 N TYR A 4 -8.104 -3.051 2.974 1.00 0.00 N ATOM 40 CA TYR A 4 -7.002 -3.119 2.024 1.00 0.00 C ATOM 41 C TYR A 4 -5.696 -3.146 2.800 1.00 0.00 C ATOM 42 O TYR A 4 -5.539 -2.358 3.732 1.00 0.00 O ATOM 43 CB TYR A 4 -7.079 -1.935 1.043 1.00 0.00 C ATOM 44 CG TYR A 4 -8.407 -1.795 0.309 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.558 -2.245 -1.016 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.507 -1.212 0.963 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.806 -2.155 -1.662 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.758 -1.138 0.333 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.922 -1.626 -0.977 1.00 0.00 C ATOM 50 OH TYR A 4 -12.148 -1.568 -1.558 1.00 0.00 O ATOM 0 H TYR A 4 -8.135 -2.158 3.465 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.062 -4.028 1.425 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.885 -1.014 1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.283 -2.040 0.306 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.711 -2.662 -1.541 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.387 -0.817 1.961 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.910 -2.491 -2.683 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.598 -0.705 0.855 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.299 -0.667 -1.914 1.00 0.00 H new ATOM 60 N LYS A 5 -4.760 -4.042 2.457 1.00 0.00 N ATOM 61 CA LYS A 5 -3.486 -4.089 3.186 1.00 0.00 C ATOM 62 C LYS A 5 -2.377 -3.414 2.385 1.00 0.00 C ATOM 63 O LYS A 5 -2.262 -3.629 1.181 1.00 0.00 O ATOM 64 CB LYS A 5 -3.164 -5.530 3.592 1.00 0.00 C ATOM 65 CG LYS A 5 -3.723 -5.797 4.998 1.00 0.00 C ATOM 66 CD LYS A 5 -3.213 -7.121 5.567 1.00 0.00 C ATOM 67 CE LYS A 5 -2.969 -6.977 7.069 1.00 0.00 C ATOM 68 NZ LYS A 5 -2.369 -8.194 7.641 1.00 0.00 N ATOM 0 H LYS A 5 -4.855 -4.724 1.704 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.571 -3.519 4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.599 -6.228 2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.086 -5.691 3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.439 -4.982 5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.812 -5.813 4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.940 -7.912 5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.290 -7.412 5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.312 -6.127 7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.912 -6.765 7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.218 -8.060 8.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.008 -9.001 7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.457 -8.382 7.178 1.00 0.00 H new ATOM 82 N LEU A 6 -1.575 -2.567 3.040 1.00 0.00 N ATOM 83 CA LEU A 6 -0.483 -1.836 2.402 1.00 0.00 C ATOM 84 C LEU A 6 0.867 -2.160 3.047 1.00 0.00 C ATOM 85 O LEU A 6 1.149 -1.705 4.153 1.00 0.00 O ATOM 86 CB LEU A 6 -0.811 -0.325 2.461 1.00 0.00 C ATOM 87 CG LEU A 6 -0.666 0.328 1.085 1.00 0.00 C ATOM 88 CD1 LEU A 6 -1.219 1.757 1.106 1.00 0.00 C ATOM 89 CD2 LEU A 6 0.787 0.342 0.597 1.00 0.00 C ATOM 0 H LEU A 6 -1.669 -2.370 4.036 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.393 -2.143 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.828 -0.185 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.146 0.166 3.171 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.244 -0.277 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.107 2.205 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.275 1.735 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.669 2.349 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.837 0.816 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.402 0.901 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.157 -0.681 0.525 1.00 0.00 H new ATOM 101 N ILE A 7 1.714 -2.908 2.348 1.00 0.00 N ATOM 102 CA ILE A 7 3.053 -3.329 2.760 1.00 0.00 C ATOM 103 C ILE A 7 4.118 -2.916 1.733 1.00 0.00 C ATOM 104 O ILE A 7 3.922 -3.095 0.532 1.00 0.00 O ATOM 105 CB ILE A 7 3.054 -4.839 3.104 1.00 0.00 C ATOM 106 CG1 ILE A 7 4.480 -5.353 3.410 1.00 0.00 C ATOM 107 CG2 ILE A 7 2.375 -5.685 2.011 1.00 0.00 C ATOM 108 CD1 ILE A 7 4.510 -6.764 4.011 1.00 0.00 C ATOM 0 H ILE A 7 1.471 -3.259 1.422 1.00 0.00 H new ATOM 0 HA ILE A 7 3.331 -2.804 3.674 1.00 0.00 H new ATOM 0 HB ILE A 7 2.460 -4.954 4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.064 -5.347 2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.965 -4.663 4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.400 -6.737 2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.339 -5.365 1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.904 -5.553 1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.543 -7.057 4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.954 -6.772 4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.055 -7.467 3.313 1.00 0.00 H new ATOM 120 N LEU A 8 5.219 -2.315 2.194 1.00 0.00 N ATOM 121 CA LEU A 8 6.332 -1.870 1.358 1.00 0.00 C ATOM 122 C LEU A 8 7.586 -2.626 1.795 1.00 0.00 C ATOM 123 O LEU A 8 7.795 -2.775 3.004 1.00 0.00 O ATOM 124 CB LEU A 8 6.537 -0.349 1.475 1.00 0.00 C ATOM 125 CG LEU A 8 5.390 0.575 0.998 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.859 0.251 -0.409 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.214 0.636 1.974 1.00 0.00 C ATOM 0 H LEU A 8 5.362 -2.121 3.185 1.00 0.00 H new ATOM 0 HA LEU A 8 6.116 -2.082 0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.739 -0.118 2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.433 -0.088 0.912 1.00 0.00 H new ATOM 0 HG LEU A 8 5.866 1.555 0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.058 0.945 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.667 0.347 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.475 -0.769 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.446 1.301 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.797 -0.363 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.559 1.013 2.937 1.00 0.00 H new ATOM 139 N ASN A 9 8.425 -3.076 0.849 1.00 0.00 N ATOM 140 CA ASN A 9 9.645 -3.821 1.170 1.00 0.00 C ATOM 141 C ASN A 9 10.865 -3.180 0.528 1.00 0.00 C ATOM 142 O ASN A 9 11.227 -3.537 -0.599 1.00 0.00 O ATOM 143 CB ASN A 9 9.563 -5.302 0.770 1.00 0.00 C ATOM 144 CG ASN A 9 8.428 -6.024 1.462 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.502 -6.300 2.657 1.00 0.00 O ATOM 146 ND2 ASN A 9 7.382 -6.353 0.726 1.00 0.00 N ATOM 0 H ASN A 9 8.276 -2.934 -0.150 1.00 0.00 H new ATOM 0 HA ASN A 9 9.746 -3.780 2.255 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.433 -5.377 -0.310 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.505 -5.794 1.013 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.599 -6.854 1.147 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.357 -6.106 -0.263 1.00 0.00 H new ATOM 153 N GLY A 10 11.518 -2.271 1.243 1.00 0.00 N ATOM 154 CA GLY A 10 12.710 -1.570 0.803 1.00 0.00 C ATOM 155 C GLY A 10 13.974 -2.136 1.449 1.00 0.00 C ATOM 156 O GLY A 10 13.901 -3.002 2.332 1.00 0.00 O ATOM 0 H GLY A 10 11.218 -1.995 2.178 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.793 -1.641 -0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.620 -0.512 1.047 1.00 0.00 H new ATOM 160 N LYS A 11 15.145 -1.609 1.062 1.00 0.00 N ATOM 161 CA LYS A 11 16.454 -2.043 1.575 1.00 0.00 C ATOM 162 C LYS A 11 16.498 -1.959 3.094 1.00 0.00 C ATOM 163 O LYS A 11 16.974 -2.886 3.758 1.00 0.00 O ATOM 164 CB LYS A 11 17.535 -1.130 0.958 1.00 0.00 C ATOM 165 CG LYS A 11 18.946 -1.244 1.560 1.00 0.00 C ATOM 166 CD LYS A 11 19.897 -0.307 0.805 1.00 0.00 C ATOM 167 CE LYS A 11 21.366 -0.569 1.162 1.00 0.00 C ATOM 168 NZ LYS A 11 22.287 0.180 0.278 1.00 0.00 N ATOM 0 H LYS A 11 15.211 -0.859 0.374 1.00 0.00 H new ATOM 0 HA LYS A 11 16.631 -3.083 1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.599 -1.347 -0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.205 -0.096 1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 11 18.924 -0.983 2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.301 -2.272 1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.756 -0.436 -0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.646 0.728 1.038 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.545 -0.284 2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.575 -1.636 1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 23.270 -0.022 0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 22.134 -0.110 -0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 22.105 1.200 0.371 1.00 0.00 H new ATOM 182 N THR A 12 16.105 -0.805 3.627 1.00 0.00 N ATOM 183 CA THR A 12 16.038 -0.540 5.056 1.00 0.00 C ATOM 184 C THR A 12 14.627 -0.103 5.470 1.00 0.00 C ATOM 185 O THR A 12 14.189 -0.368 6.584 1.00 0.00 O ATOM 186 CB THR A 12 17.147 0.471 5.425 1.00 0.00 C ATOM 187 OG1 THR A 12 17.356 0.475 6.818 1.00 0.00 O ATOM 188 CG2 THR A 12 16.878 1.901 4.947 1.00 0.00 C ATOM 0 H THR A 12 15.817 -0.008 3.059 1.00 0.00 H new ATOM 0 HA THR A 12 16.226 -1.450 5.625 1.00 0.00 H new ATOM 0 HB THR A 12 18.040 0.133 4.900 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.061 1.118 7.041 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.704 2.546 5.247 1.00 0.00 H new ATOM 0 HG22 THR A 12 16.786 1.910 3.861 1.00 0.00 H new ATOM 0 HG23 THR A 12 15.952 2.266 5.393 1.00 0.00 H new ATOM 196 N LEU A 13 13.876 0.504 4.547 1.00 0.00 N ATOM 197 CA LEU A 13 12.539 1.037 4.758 1.00 0.00 C ATOM 198 C LEU A 13 11.471 -0.027 4.549 1.00 0.00 C ATOM 199 O LEU A 13 11.341 -0.540 3.441 1.00 0.00 O ATOM 200 CB LEU A 13 12.322 2.218 3.784 1.00 0.00 C ATOM 201 CG LEU A 13 13.447 3.280 3.780 1.00 0.00 C ATOM 202 CD1 LEU A 13 13.286 4.287 2.643 1.00 0.00 C ATOM 203 CD2 LEU A 13 13.547 4.027 5.113 1.00 0.00 C ATOM 0 H LEU A 13 14.204 0.640 3.591 1.00 0.00 H new ATOM 0 HA LEU A 13 12.452 1.378 5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.215 1.821 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.382 2.708 4.036 1.00 0.00 H new ATOM 0 HG LEU A 13 14.372 2.725 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.099 5.012 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.311 3.764 1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.333 4.805 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.351 4.761 5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.605 4.535 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.757 3.317 5.913 1.00 0.00 H new ATOM 215 N LYS A 14 10.747 -0.417 5.597 1.00 0.00 N ATOM 216 CA LYS A 14 9.672 -1.408 5.506 1.00 0.00 C ATOM 217 C LYS A 14 8.536 -0.989 6.427 1.00 0.00 C ATOM 218 O LYS A 14 8.775 -0.248 7.388 1.00 0.00 O ATOM 219 CB LYS A 14 10.149 -2.823 5.879 1.00 0.00 C ATOM 220 CG LYS A 14 11.216 -3.378 4.929 1.00 0.00 C ATOM 221 CD LYS A 14 11.310 -4.898 5.074 1.00 0.00 C ATOM 222 CE LYS A 14 12.390 -5.446 4.143 1.00 0.00 C ATOM 223 NZ LYS A 14 12.627 -6.881 4.382 1.00 0.00 N ATOM 0 H LYS A 14 10.889 -0.053 6.539 1.00 0.00 H new ATOM 0 HA LYS A 14 9.334 -1.445 4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.549 -2.808 6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.292 -3.497 5.884 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.968 -3.118 3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.182 -2.923 5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.542 -5.159 6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.349 -5.354 4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.091 -5.293 3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.317 -4.892 4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.365 -7.223 3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.935 -7.023 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.748 -7.411 4.215 1.00 0.00 H new ATOM 237 N GLY A 15 7.330 -1.476 6.168 1.00 0.00 N ATOM 238 CA GLY A 15 6.146 -1.192 6.956 1.00 0.00 C ATOM 239 C GLY A 15 4.985 -1.967 6.350 1.00 0.00 C ATOM 240 O GLY A 15 4.991 -2.215 5.143 1.00 0.00 O ATOM 0 H GLY A 15 7.147 -2.097 5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.300 -1.485 7.995 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.934 -0.123 6.954 1.00 0.00 H new ATOM 244 N GLU A 16 3.989 -2.333 7.158 1.00 0.00 N ATOM 245 CA GLU A 16 2.806 -3.082 6.751 1.00 0.00 C ATOM 246 C GLU A 16 1.609 -2.552 7.546 1.00 0.00 C ATOM 247 O GLU A 16 1.654 -2.478 8.776 1.00 0.00 O ATOM 248 CB GLU A 16 3.042 -4.597 6.885 1.00 0.00 C ATOM 249 CG GLU A 16 3.343 -5.147 8.286 1.00 0.00 C ATOM 250 CD GLU A 16 3.375 -6.675 8.255 1.00 0.00 C ATOM 251 OE1 GLU A 16 4.470 -7.286 8.273 1.00 0.00 O ATOM 252 OE2 GLU A 16 2.274 -7.279 8.221 1.00 0.00 O ATOM 0 H GLU A 16 3.987 -2.105 8.152 1.00 0.00 H new ATOM 0 HA GLU A 16 2.587 -2.933 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.158 -5.110 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.872 -4.867 6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.300 -4.763 8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.584 -4.806 8.990 1.00 0.00 H new ATOM 259 N THR A 17 0.527 -2.172 6.866 1.00 0.00 N ATOM 260 CA THR A 17 -0.658 -1.616 7.530 1.00 0.00 C ATOM 261 C THR A 17 -1.955 -2.117 6.880 1.00 0.00 C ATOM 262 O THR A 17 -1.919 -2.929 5.948 1.00 0.00 O ATOM 263 CB THR A 17 -0.487 -0.078 7.553 1.00 0.00 C ATOM 264 OG1 THR A 17 -1.432 0.577 8.392 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.559 0.505 6.137 1.00 0.00 C ATOM 0 H THR A 17 0.444 -2.239 5.852 1.00 0.00 H new ATOM 0 HA THR A 17 -0.745 -1.961 8.560 1.00 0.00 H new ATOM 0 HB THR A 17 0.502 0.107 7.973 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.275 1.544 8.369 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.436 1.587 6.182 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.234 0.075 5.526 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.527 0.268 5.695 1.00 0.00 H new ATOM 273 N THR A 18 -3.098 -1.678 7.410 1.00 0.00 N ATOM 274 CA THR A 18 -4.441 -2.004 6.949 1.00 0.00 C ATOM 275 C THR A 18 -5.184 -0.671 6.813 1.00 0.00 C ATOM 276 O THR A 18 -5.076 0.209 7.681 1.00 0.00 O ATOM 277 CB THR A 18 -5.084 -3.052 7.883 1.00 0.00 C ATOM 278 OG1 THR A 18 -6.352 -3.462 7.416 1.00 0.00 O ATOM 279 CG2 THR A 18 -5.206 -2.634 9.353 1.00 0.00 C ATOM 0 H THR A 18 -3.108 -1.052 8.215 1.00 0.00 H new ATOM 0 HA THR A 18 -4.465 -2.490 5.974 1.00 0.00 H new ATOM 0 HB THR A 18 -4.379 -3.883 7.854 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.728 -4.126 8.031 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.670 -3.439 9.923 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.214 -2.428 9.756 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.821 -1.737 9.426 1.00 0.00 H new ATOM 287 N THR A 19 -5.992 -0.543 5.767 1.00 0.00 N ATOM 288 CA THR A 19 -6.750 0.636 5.409 1.00 0.00 C ATOM 289 C THR A 19 -8.219 0.317 5.146 1.00 0.00 C ATOM 290 O THR A 19 -8.536 -0.545 4.328 1.00 0.00 O ATOM 291 CB THR A 19 -6.139 1.214 4.114 1.00 0.00 C ATOM 292 OG1 THR A 19 -4.718 1.199 4.093 1.00 0.00 O ATOM 293 CG2 THR A 19 -6.620 2.640 3.834 1.00 0.00 C ATOM 0 H THR A 19 -6.140 -1.310 5.111 1.00 0.00 H new ATOM 0 HA THR A 19 -6.703 1.342 6.238 1.00 0.00 H new ATOM 0 HB THR A 19 -6.494 0.545 3.330 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.399 1.576 3.247 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.163 3.004 2.913 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.705 2.644 3.727 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.335 3.289 4.662 1.00 0.00 H new ATOM 301 N GLU A 20 -9.106 1.009 5.852 1.00 0.00 N ATOM 302 CA GLU A 20 -10.554 0.943 5.731 1.00 0.00 C ATOM 303 C GLU A 20 -10.958 2.411 5.582 1.00 0.00 C ATOM 304 O GLU A 20 -10.427 3.260 6.302 1.00 0.00 O ATOM 305 CB GLU A 20 -11.257 0.265 6.925 1.00 0.00 C ATOM 306 CG GLU A 20 -12.768 0.576 6.864 1.00 0.00 C ATOM 307 CD GLU A 20 -13.646 -0.345 7.705 1.00 0.00 C ATOM 308 OE1 GLU A 20 -13.720 -0.180 8.945 1.00 0.00 O ATOM 309 OE2 GLU A 20 -14.323 -1.215 7.110 1.00 0.00 O ATOM 0 H GLU A 20 -8.812 1.672 6.569 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.859 0.318 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.093 -0.812 6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.836 0.626 7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.926 1.604 7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.095 0.518 5.826 1.00 0.00 H new ATOM 316 N ALA A 21 -11.832 2.713 4.626 1.00 0.00 N ATOM 317 CA ALA A 21 -12.349 4.041 4.345 1.00 0.00 C ATOM 318 C ALA A 21 -13.781 3.876 3.833 1.00 0.00 C ATOM 319 O ALA A 21 -14.308 2.760 3.763 1.00 0.00 O ATOM 320 CB ALA A 21 -11.446 4.753 3.323 1.00 0.00 C ATOM 0 H ALA A 21 -12.214 2.004 4.000 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.357 4.663 5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.842 5.748 3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.437 4.840 3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.418 4.177 2.398 1.00 0.00 H new ATOM 326 N VAL A 22 -14.429 4.979 3.468 1.00 0.00 N ATOM 327 CA VAL A 22 -15.793 4.942 2.952 1.00 0.00 C ATOM 328 C VAL A 22 -15.804 4.361 1.532 1.00 0.00 C ATOM 329 O VAL A 22 -16.555 3.426 1.250 1.00 0.00 O ATOM 330 CB VAL A 22 -16.434 6.345 3.032 1.00 0.00 C ATOM 331 CG1 VAL A 22 -16.672 6.735 4.499 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.604 7.453 2.355 1.00 0.00 C ATOM 0 H VAL A 22 -14.027 5.915 3.521 1.00 0.00 H new ATOM 0 HA VAL A 22 -16.402 4.282 3.570 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.374 6.269 2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -17.124 7.726 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -17.340 6.010 4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.721 6.746 5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.121 8.407 2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.626 7.519 2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.476 7.218 1.298 1.00 0.00 H new ATOM 342 N ASP A 23 -14.898 4.812 0.664 1.00 0.00 N ATOM 343 CA ASP A 23 -14.788 4.392 -0.732 1.00 0.00 C ATOM 344 C ASP A 23 -13.310 4.265 -1.098 1.00 0.00 C ATOM 345 O ASP A 23 -12.468 4.847 -0.407 1.00 0.00 O ATOM 346 CB ASP A 23 -15.463 5.463 -1.598 1.00 0.00 C ATOM 347 CG ASP A 23 -15.526 5.043 -3.060 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.717 5.553 -3.867 1.00 0.00 O ATOM 349 OD2 ASP A 23 -16.347 4.168 -3.384 1.00 0.00 O ATOM 0 H ASP A 23 -14.196 5.505 0.924 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.271 3.428 -0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.471 5.648 -1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.914 6.401 -1.511 1.00 0.00 H new ATOM 354 N ALA A 24 -12.969 3.512 -2.149 1.00 0.00 N ATOM 355 CA ALA A 24 -11.577 3.334 -2.556 1.00 0.00 C ATOM 356 C ALA A 24 -10.995 4.634 -3.136 1.00 0.00 C ATOM 357 O ALA A 24 -9.775 4.809 -3.126 1.00 0.00 O ATOM 358 CB ALA A 24 -11.441 2.137 -3.503 1.00 0.00 C ATOM 0 H ALA A 24 -13.642 3.016 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.979 3.105 -1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.397 2.021 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.779 1.233 -2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.050 2.305 -4.391 1.00 0.00 H new ATOM 364 N ALA A 25 -11.821 5.588 -3.586 1.00 0.00 N ATOM 365 CA ALA A 25 -11.334 6.858 -4.118 1.00 0.00 C ATOM 366 C ALA A 25 -10.681 7.674 -2.997 1.00 0.00 C ATOM 367 O ALA A 25 -9.669 8.338 -3.224 1.00 0.00 O ATOM 368 CB ALA A 25 -12.478 7.656 -4.743 1.00 0.00 C ATOM 0 H ALA A 25 -12.837 5.498 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.595 6.650 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.094 8.598 -5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.921 7.081 -5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.236 7.859 -3.986 1.00 0.00 H new ATOM 374 N THR A 26 -11.245 7.638 -1.786 1.00 0.00 N ATOM 375 CA THR A 26 -10.710 8.359 -0.633 1.00 0.00 C ATOM 376 C THR A 26 -9.343 7.762 -0.246 1.00 0.00 C ATOM 377 O THR A 26 -8.452 8.462 0.248 1.00 0.00 O ATOM 378 CB THR A 26 -11.718 8.238 0.535 1.00 0.00 C ATOM 379 OG1 THR A 26 -13.051 8.477 0.103 1.00 0.00 O ATOM 380 CG2 THR A 26 -11.404 9.209 1.677 1.00 0.00 C ATOM 0 H THR A 26 -12.090 7.105 -1.580 1.00 0.00 H new ATOM 0 HA THR A 26 -10.567 9.413 -0.871 1.00 0.00 H new ATOM 0 HB THR A 26 -11.623 7.215 0.899 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.609 8.707 0.875 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.139 9.086 2.472 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.408 9.001 2.068 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.441 10.233 1.305 1.00 0.00 H new ATOM 388 N ALA A 27 -9.188 6.452 -0.441 1.00 0.00 N ATOM 389 CA ALA A 27 -8.008 5.666 -0.148 1.00 0.00 C ATOM 390 C ALA A 27 -6.894 5.860 -1.188 1.00 0.00 C ATOM 391 O ALA A 27 -5.725 5.747 -0.831 1.00 0.00 O ATOM 392 CB ALA A 27 -8.432 4.209 0.005 1.00 0.00 C ATOM 0 H ALA A 27 -9.938 5.883 -0.834 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.566 6.010 0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.558 3.597 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.151 4.123 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.891 3.864 -0.922 1.00 0.00 H new ATOM 398 N GLU A 28 -7.221 6.170 -2.450 1.00 0.00 N ATOM 399 CA GLU A 28 -6.236 6.375 -3.520 1.00 0.00 C ATOM 400 C GLU A 28 -5.185 7.432 -3.144 1.00 0.00 C ATOM 401 O GLU A 28 -4.014 7.332 -3.523 1.00 0.00 O ATOM 402 CB GLU A 28 -6.959 6.779 -4.818 1.00 0.00 C ATOM 403 CG GLU A 28 -6.029 6.696 -6.041 1.00 0.00 C ATOM 404 CD GLU A 28 -6.617 7.351 -7.287 1.00 0.00 C ATOM 405 OE1 GLU A 28 -6.713 6.692 -8.348 1.00 0.00 O ATOM 406 OE2 GLU A 28 -6.907 8.568 -7.248 1.00 0.00 O ATOM 0 H GLU A 28 -8.186 6.287 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.706 5.434 -3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.820 6.129 -4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.341 7.795 -4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.079 7.174 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.814 5.649 -6.256 1.00 0.00 H new ATOM 413 N LYS A 29 -5.595 8.437 -2.363 1.00 0.00 N ATOM 414 CA LYS A 29 -4.704 9.508 -1.923 1.00 0.00 C ATOM 415 C LYS A 29 -3.665 8.943 -0.962 1.00 0.00 C ATOM 416 O LYS A 29 -2.457 9.124 -1.152 1.00 0.00 O ATOM 417 CB LYS A 29 -5.536 10.631 -1.284 1.00 0.00 C ATOM 418 CG LYS A 29 -6.387 11.334 -2.351 1.00 0.00 C ATOM 419 CD LYS A 29 -7.386 12.315 -1.741 1.00 0.00 C ATOM 420 CE LYS A 29 -8.052 13.089 -2.878 1.00 0.00 C ATOM 421 NZ LYS A 29 -9.176 13.916 -2.416 1.00 0.00 N ATOM 0 H LYS A 29 -6.552 8.528 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.169 9.933 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.181 10.219 -0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.877 11.352 -0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.733 11.867 -3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.925 10.587 -2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.134 11.781 -1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.879 13.000 -1.061 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.311 13.726 -3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.408 12.386 -3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.592 14.420 -3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.897 13.308 -1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.835 14.606 -1.717 1.00 0.00 H new ATOM 435 N VAL A 30 -4.129 8.242 0.073 1.00 0.00 N ATOM 436 CA VAL A 30 -3.251 7.636 1.064 1.00 0.00 C ATOM 437 C VAL A 30 -2.380 6.563 0.406 1.00 0.00 C ATOM 438 O VAL A 30 -1.227 6.416 0.786 1.00 0.00 O ATOM 439 CB VAL A 30 -4.025 7.187 2.324 1.00 0.00 C ATOM 440 CG1 VAL A 30 -4.511 5.734 2.306 1.00 0.00 C ATOM 441 CG2 VAL A 30 -3.162 7.400 3.572 1.00 0.00 C ATOM 0 H VAL A 30 -5.122 8.081 0.244 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.556 8.383 1.447 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.920 7.809 2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.042 5.516 3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.182 5.585 1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.655 5.065 2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.715 7.081 4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.247 6.814 3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.909 8.456 3.664 1.00 0.00 H new ATOM 451 N PHE A 31 -2.887 5.856 -0.613 1.00 0.00 N ATOM 452 CA PHE A 31 -2.166 4.801 -1.327 1.00 0.00 C ATOM 453 C PHE A 31 -0.852 5.365 -1.870 1.00 0.00 C ATOM 454 O PHE A 31 0.196 4.737 -1.712 1.00 0.00 O ATOM 455 CB PHE A 31 -3.082 4.309 -2.463 1.00 0.00 C ATOM 456 CG PHE A 31 -2.652 3.187 -3.392 1.00 0.00 C ATOM 457 CD1 PHE A 31 -1.597 3.345 -4.314 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.463 2.041 -3.481 1.00 0.00 C ATOM 459 CE1 PHE A 31 -1.363 2.367 -5.300 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.220 1.058 -4.452 1.00 0.00 C ATOM 461 CZ PHE A 31 -2.171 1.220 -5.367 1.00 0.00 C ATOM 0 H PHE A 31 -3.831 6.007 -0.969 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.919 3.966 -0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.020 3.999 -2.003 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.304 5.173 -3.089 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.966 4.220 -4.264 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.285 1.916 -2.792 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.558 2.500 -6.008 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.842 0.176 -4.494 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.985 0.468 -6.119 1.00 0.00 H new ATOM 471 N LYS A 32 -0.877 6.566 -2.464 1.00 0.00 N ATOM 472 CA LYS A 32 0.339 7.172 -2.987 1.00 0.00 C ATOM 473 C LYS A 32 1.177 7.755 -1.847 1.00 0.00 C ATOM 474 O LYS A 32 2.365 7.456 -1.770 1.00 0.00 O ATOM 475 CB LYS A 32 -0.020 8.246 -4.033 1.00 0.00 C ATOM 476 CG LYS A 32 1.223 8.919 -4.649 1.00 0.00 C ATOM 477 CD LYS A 32 0.835 9.896 -5.769 1.00 0.00 C ATOM 478 CE LYS A 32 2.053 10.696 -6.243 1.00 0.00 C ATOM 479 NZ LYS A 32 1.689 11.716 -7.246 1.00 0.00 N ATOM 0 H LYS A 32 -1.720 7.126 -2.590 1.00 0.00 H new ATOM 0 HA LYS A 32 0.941 6.408 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.612 7.790 -4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.646 9.007 -3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.772 9.452 -3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.893 8.156 -5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.409 9.344 -6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.064 10.578 -5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.524 11.181 -5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.790 10.015 -6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.542 12.234 -7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.263 11.252 -8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.005 12.381 -6.832 1.00 0.00 H new ATOM 493 N GLN A 33 0.568 8.542 -0.951 1.00 0.00 N ATOM 494 CA GLN A 33 1.299 9.178 0.141 1.00 0.00 C ATOM 495 C GLN A 33 1.971 8.214 1.110 1.00 0.00 C ATOM 496 O GLN A 33 3.169 8.347 1.306 1.00 0.00 O ATOM 497 CB GLN A 33 0.356 10.121 0.912 1.00 0.00 C ATOM 498 CG GLN A 33 1.005 10.781 2.152 1.00 0.00 C ATOM 499 CD GLN A 33 0.915 9.935 3.436 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.909 9.609 4.081 1.00 0.00 O ATOM 501 NE2 GLN A 33 -0.286 9.563 3.843 1.00 0.00 N ATOM 0 H GLN A 33 -0.430 8.751 -0.965 1.00 0.00 H new ATOM 0 HA GLN A 33 2.112 9.731 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.008 10.903 0.237 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.523 9.560 1.230 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.054 10.982 1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.526 11.744 2.330 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.112 9.833 3.309 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.387 9.006 4.692 1.00 0.00 H new ATOM 510 N TYR A 34 1.267 7.226 1.659 1.00 0.00 N ATOM 511 CA TYR A 34 1.820 6.282 2.624 1.00 0.00 C ATOM 512 C TYR A 34 3.053 5.568 2.077 1.00 0.00 C ATOM 513 O TYR A 34 4.024 5.344 2.797 1.00 0.00 O ATOM 514 CB TYR A 34 0.714 5.309 3.054 1.00 0.00 C ATOM 515 CG TYR A 34 1.193 4.206 3.972 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.486 2.943 3.433 1.00 0.00 C ATOM 517 CD2 TYR A 34 1.405 4.454 5.339 1.00 0.00 C ATOM 518 CE1 TYR A 34 2.012 1.925 4.241 1.00 0.00 C ATOM 519 CE2 TYR A 34 1.954 3.446 6.156 1.00 0.00 C ATOM 520 CZ TYR A 34 2.271 2.180 5.606 1.00 0.00 C ATOM 521 OH TYR A 34 2.803 1.204 6.390 1.00 0.00 O ATOM 0 H TYR A 34 0.285 7.058 1.443 1.00 0.00 H new ATOM 0 HA TYR A 34 2.167 6.823 3.504 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.075 5.869 3.556 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.271 4.862 2.164 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.304 2.754 2.385 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.148 5.414 5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.218 0.951 3.822 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.133 3.639 7.203 1.00 0.00 H new ATOM 0 HH TYR A 34 2.919 1.544 7.302 1.00 0.00 H new ATOM 531 N ALA A 35 3.007 5.161 0.810 1.00 0.00 N ATOM 532 CA ALA A 35 4.119 4.490 0.167 1.00 0.00 C ATOM 533 C ALA A 35 5.258 5.475 -0.121 1.00 0.00 C ATOM 534 O ALA A 35 6.408 5.212 0.210 1.00 0.00 O ATOM 535 CB ALA A 35 3.597 3.803 -1.083 1.00 0.00 C ATOM 0 H ALA A 35 2.195 5.290 0.206 1.00 0.00 H new ATOM 0 HA ALA A 35 4.546 3.733 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.417 3.290 -1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.831 3.079 -0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.168 4.547 -1.755 1.00 0.00 H new ATOM 541 N ASN A 36 4.967 6.626 -0.726 1.00 0.00 N ATOM 542 CA ASN A 36 5.986 7.630 -1.041 1.00 0.00 C ATOM 543 C ASN A 36 6.677 8.137 0.228 1.00 0.00 C ATOM 544 O ASN A 36 7.890 8.347 0.207 1.00 0.00 O ATOM 545 CB ASN A 36 5.322 8.741 -1.841 1.00 0.00 C ATOM 546 CG ASN A 36 6.208 9.953 -2.113 1.00 0.00 C ATOM 547 OD1 ASN A 36 5.851 11.077 -1.768 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.330 9.804 -2.794 1.00 0.00 N ATOM 0 H ASN A 36 4.024 6.889 -1.011 1.00 0.00 H new ATOM 0 HA ASN A 36 6.780 7.192 -1.645 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.987 8.332 -2.794 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.432 9.072 -1.306 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.895 10.620 -3.031 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.631 8.873 -3.083 1.00 0.00 H new ATOM 555 N ASP A 37 5.935 8.262 1.333 1.00 0.00 N ATOM 556 CA ASP A 37 6.414 8.693 2.652 1.00 0.00 C ATOM 557 C ASP A 37 7.310 7.595 3.239 1.00 0.00 C ATOM 558 O ASP A 37 8.216 7.869 4.032 1.00 0.00 O ATOM 559 CB ASP A 37 5.225 8.965 3.582 1.00 0.00 C ATOM 560 CG ASP A 37 5.632 9.572 4.924 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.239 10.671 4.927 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.267 9.003 5.977 1.00 0.00 O ATOM 0 H ASP A 37 4.936 8.056 1.333 1.00 0.00 H new ATOM 0 HA ASP A 37 6.987 9.615 2.552 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.529 9.639 3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.692 8.031 3.761 1.00 0.00 H new ATOM 567 N ASN A 38 7.123 6.350 2.786 1.00 0.00 N ATOM 568 CA ASN A 38 7.889 5.168 3.184 1.00 0.00 C ATOM 569 C ASN A 38 9.190 5.148 2.358 1.00 0.00 C ATOM 570 O ASN A 38 10.049 4.322 2.630 1.00 0.00 O ATOM 571 CB ASN A 38 7.102 3.863 2.927 1.00 0.00 C ATOM 572 CG ASN A 38 6.790 3.043 4.172 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.679 2.533 4.848 1.00 0.00 O ATOM 574 ND2 ASN A 38 5.512 2.836 4.462 1.00 0.00 N ATOM 0 H ASN A 38 6.400 6.131 2.101 1.00 0.00 H new ATOM 0 HA ASN A 38 8.096 5.223 4.253 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.164 4.114 2.431 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.672 3.243 2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.258 2.247 5.255 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.784 3.266 3.892 1.00 0.00 H new ATOM 581 N GLY A 39 9.373 6.064 1.391 1.00 0.00 N ATOM 582 CA GLY A 39 10.558 6.185 0.545 1.00 0.00 C ATOM 583 C GLY A 39 10.660 5.129 -0.548 1.00 0.00 C ATOM 584 O GLY A 39 11.772 4.773 -0.941 1.00 0.00 O ATOM 0 H GLY A 39 8.666 6.766 1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.560 7.172 0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.446 6.127 1.174 1.00 0.00 H new ATOM 588 N VAL A 40 9.534 4.651 -1.080 1.00 0.00 N ATOM 589 CA VAL A 40 9.566 3.611 -2.104 1.00 0.00 C ATOM 590 C VAL A 40 9.773 4.083 -3.533 1.00 0.00 C ATOM 591 O VAL A 40 9.268 5.133 -3.940 1.00 0.00 O ATOM 592 CB VAL A 40 8.299 2.746 -2.057 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.019 2.320 -0.621 1.00 0.00 C ATOM 594 CG2 VAL A 40 7.035 3.393 -2.650 1.00 0.00 C ATOM 0 H VAL A 40 8.599 4.965 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 40 10.455 3.037 -1.843 1.00 0.00 H new ATOM 0 HB VAL A 40 8.517 1.891 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.119 1.706 -0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.863 1.744 -0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.875 3.205 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.198 2.699 -2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.804 4.307 -2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.206 3.631 -3.700 1.00 0.00 H new ATOM 604 N ASP A 41 10.601 3.336 -4.253 1.00 0.00 N ATOM 605 CA ASP A 41 10.910 3.500 -5.660 1.00 0.00 C ATOM 606 C ASP A 41 10.964 2.077 -6.227 1.00 0.00 C ATOM 607 O ASP A 41 12.041 1.605 -6.583 1.00 0.00 O ATOM 608 CB ASP A 41 12.177 4.325 -5.907 1.00 0.00 C ATOM 609 CG ASP A 41 12.335 4.568 -7.407 1.00 0.00 C ATOM 610 OD1 ASP A 41 13.462 4.468 -7.945 1.00 0.00 O ATOM 611 OD2 ASP A 41 11.322 4.897 -8.068 1.00 0.00 O ATOM 0 H ASP A 41 11.104 2.551 -3.839 1.00 0.00 H new ATOM 0 HA ASP A 41 10.150 4.089 -6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.115 5.276 -5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.049 3.799 -5.518 1.00 0.00 H new ATOM 616 N GLY A 42 9.838 1.355 -6.248 1.00 0.00 N ATOM 617 CA GLY A 42 9.781 -0.024 -6.733 1.00 0.00 C ATOM 618 C GLY A 42 8.491 -0.344 -7.477 1.00 0.00 C ATOM 619 O GLY A 42 7.678 0.545 -7.743 1.00 0.00 O ATOM 0 H GLY A 42 8.939 1.714 -5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.629 -0.206 -7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.884 -0.704 -5.888 1.00 0.00 H new ATOM 623 N GLU A 43 8.326 -1.610 -7.857 1.00 0.00 N ATOM 624 CA GLU A 43 7.174 -2.115 -8.592 1.00 0.00 C ATOM 625 C GLU A 43 6.118 -2.615 -7.611 1.00 0.00 C ATOM 626 O GLU A 43 6.431 -3.160 -6.547 1.00 0.00 O ATOM 627 CB GLU A 43 7.566 -3.174 -9.631 1.00 0.00 C ATOM 628 CG GLU A 43 8.232 -4.437 -9.067 1.00 0.00 C ATOM 629 CD GLU A 43 8.074 -5.589 -10.056 1.00 0.00 C ATOM 630 OE1 GLU A 43 7.136 -6.402 -9.872 1.00 0.00 O ATOM 631 OE2 GLU A 43 8.853 -5.684 -11.032 1.00 0.00 O ATOM 0 H GLU A 43 9.015 -2.334 -7.654 1.00 0.00 H new ATOM 0 HA GLU A 43 6.742 -1.296 -9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.671 -3.470 -10.179 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.244 -2.717 -10.352 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.289 -4.249 -8.879 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.780 -4.702 -8.111 1.00 0.00 H new ATOM 638 N TRP A 44 4.854 -2.495 -8.009 1.00 0.00 N ATOM 639 CA TRP A 44 3.702 -2.856 -7.201 1.00 0.00 C ATOM 640 C TRP A 44 2.957 -4.079 -7.731 1.00 0.00 C ATOM 641 O TRP A 44 2.797 -4.226 -8.943 1.00 0.00 O ATOM 642 CB TRP A 44 2.781 -1.623 -7.204 1.00 0.00 C ATOM 643 CG TRP A 44 3.319 -0.380 -6.544 1.00 0.00 C ATOM 644 CD1 TRP A 44 4.481 0.247 -6.843 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.716 0.431 -5.490 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.690 1.300 -5.985 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.591 1.520 -5.191 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.510 0.362 -4.763 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.263 2.516 -4.260 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.176 1.350 -3.822 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.031 2.437 -3.593 1.00 0.00 C ATOM 0 H TRP A 44 4.600 -2.134 -8.929 1.00 0.00 H new ATOM 0 HA TRP A 44 4.027 -3.132 -6.198 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.538 -1.382 -8.239 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.847 -1.894 -6.712 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.149 -0.040 -7.642 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.550 1.847 -5.943 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.833 -0.462 -4.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.946 3.329 -4.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.251 1.271 -3.269 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.741 3.215 -2.902 1.00 0.00 H new ATOM 662 N THR A 45 2.442 -4.914 -6.830 1.00 0.00 N ATOM 663 CA THR A 45 1.664 -6.127 -7.093 1.00 0.00 C ATOM 664 C THR A 45 0.380 -6.063 -6.250 1.00 0.00 C ATOM 665 O THR A 45 0.264 -5.170 -5.397 1.00 0.00 O ATOM 666 CB THR A 45 2.496 -7.375 -6.752 1.00 0.00 C ATOM 667 OG1 THR A 45 3.047 -7.284 -5.446 1.00 0.00 O ATOM 668 CG2 THR A 45 3.637 -7.584 -7.749 1.00 0.00 C ATOM 0 H THR A 45 2.564 -4.752 -5.830 1.00 0.00 H new ATOM 0 HA THR A 45 1.401 -6.192 -8.149 1.00 0.00 H new ATOM 0 HB THR A 45 1.815 -8.224 -6.805 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.570 -8.091 -5.254 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.201 -8.475 -7.474 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.226 -7.709 -8.751 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.297 -6.717 -7.733 1.00 0.00 H new ATOM 676 N TYR A 46 -0.583 -6.968 -6.479 1.00 0.00 N ATOM 677 CA TYR A 46 -1.833 -6.997 -5.724 1.00 0.00 C ATOM 678 C TYR A 46 -2.312 -8.417 -5.390 1.00 0.00 C ATOM 679 O TYR A 46 -2.122 -9.342 -6.183 1.00 0.00 O ATOM 680 CB TYR A 46 -2.898 -6.260 -6.539 1.00 0.00 C ATOM 681 CG TYR A 46 -4.250 -6.186 -5.864 1.00 0.00 C ATOM 682 CD1 TYR A 46 -4.340 -5.699 -4.547 1.00 0.00 C ATOM 683 CD2 TYR A 46 -5.412 -6.600 -6.544 1.00 0.00 C ATOM 684 CE1 TYR A 46 -5.586 -5.605 -3.918 1.00 0.00 C ATOM 685 CE2 TYR A 46 -6.668 -6.492 -5.922 1.00 0.00 C ATOM 686 CZ TYR A 46 -6.752 -5.972 -4.612 1.00 0.00 C ATOM 687 OH TYR A 46 -7.951 -5.783 -4.010 1.00 0.00 O ATOM 0 H TYR A 46 -0.513 -7.695 -7.191 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.658 -6.509 -4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.549 -5.247 -6.742 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.011 -6.757 -7.502 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.446 -5.397 -4.021 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.338 -7.001 -7.544 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.652 -5.251 -2.900 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.562 -6.804 -6.442 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.650 -6.238 -4.524 1.00 0.00 H new ATOM 697 N ASP A 47 -2.896 -8.624 -4.206 1.00 0.00 N ATOM 698 CA ASP A 47 -3.464 -9.885 -3.720 1.00 0.00 C ATOM 699 C ASP A 47 -4.881 -9.555 -3.231 1.00 0.00 C ATOM 700 O ASP A 47 -5.043 -9.117 -2.093 1.00 0.00 O ATOM 701 CB ASP A 47 -2.560 -10.529 -2.650 1.00 0.00 C ATOM 702 CG ASP A 47 -2.023 -11.874 -3.131 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.829 -12.827 -3.247 1.00 0.00 O ATOM 704 OD2 ASP A 47 -0.805 -11.974 -3.422 1.00 0.00 O ATOM 0 H ASP A 47 -2.990 -7.873 -3.522 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.522 -10.641 -4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.729 -9.862 -2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.123 -10.666 -1.727 1.00 0.00 H new ATOM 709 N ASP A 48 -5.918 -9.754 -4.051 1.00 0.00 N ATOM 710 CA ASP A 48 -7.313 -9.430 -3.706 1.00 0.00 C ATOM 711 C ASP A 48 -7.915 -10.196 -2.527 1.00 0.00 C ATOM 712 O ASP A 48 -8.818 -9.666 -1.880 1.00 0.00 O ATOM 713 CB ASP A 48 -8.225 -9.573 -4.932 1.00 0.00 C ATOM 714 CG ASP A 48 -9.580 -8.866 -4.753 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.648 -9.522 -4.752 1.00 0.00 O ATOM 716 OD2 ASP A 48 -9.611 -7.618 -4.662 1.00 0.00 O ATOM 0 H ASP A 48 -5.815 -10.149 -4.986 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.261 -8.394 -3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.719 -9.162 -5.806 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.396 -10.631 -5.131 1.00 0.00 H new ATOM 721 N ALA A 49 -7.403 -11.379 -2.167 1.00 0.00 N ATOM 722 CA ALA A 49 -7.947 -12.154 -1.048 1.00 0.00 C ATOM 723 C ALA A 49 -7.927 -11.374 0.276 1.00 0.00 C ATOM 724 O ALA A 49 -8.832 -11.526 1.100 1.00 0.00 O ATOM 725 CB ALA A 49 -7.184 -13.472 -0.901 1.00 0.00 C ATOM 0 H ALA A 49 -6.612 -11.820 -2.636 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.992 -12.361 -1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.596 -14.040 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.281 -14.053 -1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.131 -13.264 -0.713 1.00 0.00 H new ATOM 731 N THR A 50 -6.917 -10.528 0.478 1.00 0.00 N ATOM 732 CA THR A 50 -6.719 -9.694 1.666 1.00 0.00 C ATOM 733 C THR A 50 -6.527 -8.213 1.271 1.00 0.00 C ATOM 734 O THR A 50 -6.529 -7.332 2.134 1.00 0.00 O ATOM 735 CB THR A 50 -5.623 -10.335 2.555 1.00 0.00 C ATOM 736 OG1 THR A 50 -5.038 -9.440 3.480 1.00 0.00 O ATOM 737 CG2 THR A 50 -4.502 -11.030 1.766 1.00 0.00 C ATOM 0 H THR A 50 -6.179 -10.399 -0.214 1.00 0.00 H new ATOM 0 HA THR A 50 -7.608 -9.663 2.296 1.00 0.00 H new ATOM 0 HB THR A 50 -6.179 -11.093 3.107 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.262 -9.005 3.068 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.776 -11.452 2.461 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.927 -11.827 1.156 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.007 -10.304 1.121 1.00 0.00 H new ATOM 745 N LYS A 51 -6.502 -7.928 -0.035 1.00 0.00 N ATOM 746 CA LYS A 51 -6.339 -6.675 -0.725 1.00 0.00 C ATOM 747 C LYS A 51 -4.968 -6.095 -0.397 1.00 0.00 C ATOM 748 O LYS A 51 -4.827 -4.889 -0.244 1.00 0.00 O ATOM 749 CB LYS A 51 -7.581 -5.793 -0.544 1.00 0.00 C ATOM 750 CG LYS A 51 -8.867 -6.502 -0.993 1.00 0.00 C ATOM 751 CD LYS A 51 -10.018 -5.524 -1.234 1.00 0.00 C ATOM 752 CE LYS A 51 -11.265 -6.357 -1.522 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.378 -5.571 -2.082 1.00 0.00 N ATOM 0 H LYS A 51 -6.612 -8.685 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.308 -6.789 -1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.672 -5.508 0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.457 -4.873 -1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.670 -7.060 -1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.163 -7.227 -0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.172 -4.889 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.794 -4.865 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.007 -7.155 -2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.595 -6.834 -0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.192 -6.195 -2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.649 -4.826 -1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.080 -5.136 -2.978 1.00 0.00 H new ATOM 767 N THR A 52 -3.975 -6.978 -0.288 1.00 0.00 N ATOM 768 CA THR A 52 -2.594 -6.687 0.029 1.00 0.00 C ATOM 769 C THR A 52 -1.830 -6.203 -1.200 1.00 0.00 C ATOM 770 O THR A 52 -1.666 -6.929 -2.186 1.00 0.00 O ATOM 771 CB THR A 52 -1.940 -7.936 0.640 1.00 0.00 C ATOM 772 OG1 THR A 52 -2.733 -8.389 1.714 1.00 0.00 O ATOM 773 CG2 THR A 52 -0.546 -7.664 1.203 1.00 0.00 C ATOM 0 H THR A 52 -4.133 -7.976 -0.429 1.00 0.00 H new ATOM 0 HA THR A 52 -2.561 -5.877 0.758 1.00 0.00 H new ATOM 0 HB THR A 52 -1.857 -8.669 -0.162 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.324 -9.187 2.109 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.136 -8.584 1.620 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.105 -7.306 0.405 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.611 -6.908 1.985 1.00 0.00 H new ATOM 781 N PHE A 53 -1.370 -4.961 -1.143 1.00 0.00 N ATOM 782 CA PHE A 53 -0.590 -4.307 -2.168 1.00 0.00 C ATOM 783 C PHE A 53 0.839 -4.345 -1.643 1.00 0.00 C ATOM 784 O PHE A 53 1.159 -3.639 -0.682 1.00 0.00 O ATOM 785 CB PHE A 53 -1.084 -2.874 -2.370 1.00 0.00 C ATOM 786 CG PHE A 53 -2.292 -2.755 -3.266 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.130 -2.567 -4.653 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.578 -2.791 -2.705 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.256 -2.375 -5.471 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.699 -2.596 -3.523 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.539 -2.373 -4.900 1.00 0.00 C ATOM 0 H PHE A 53 -1.543 -4.358 -0.339 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.670 -4.792 -3.141 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.324 -2.444 -1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.274 -2.279 -2.791 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.141 -2.570 -5.087 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.703 -2.968 -1.647 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.135 -2.230 -6.534 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.689 -2.617 -3.093 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.405 -2.199 -5.522 1.00 0.00 H new ATOM 801 N THR A 54 1.698 -5.129 -2.289 1.00 0.00 N ATOM 802 CA THR A 54 3.096 -5.305 -1.919 1.00 0.00 C ATOM 803 C THR A 54 4.024 -4.642 -2.943 1.00 0.00 C ATOM 804 O THR A 54 3.714 -4.599 -4.141 1.00 0.00 O ATOM 805 CB THR A 54 3.372 -6.808 -1.713 1.00 0.00 C ATOM 806 OG1 THR A 54 2.367 -7.352 -0.875 1.00 0.00 O ATOM 807 CG2 THR A 54 4.723 -7.054 -1.040 1.00 0.00 C ATOM 0 H THR A 54 1.431 -5.675 -3.108 1.00 0.00 H new ATOM 0 HA THR A 54 3.306 -4.801 -0.976 1.00 0.00 H new ATOM 0 HB THR A 54 3.377 -7.279 -2.696 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.535 -8.308 -0.741 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.877 -8.126 -0.914 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.519 -6.644 -1.661 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.737 -6.568 -0.064 1.00 0.00 H new ATOM 815 N VAL A 55 5.121 -4.057 -2.462 1.00 0.00 N ATOM 816 CA VAL A 55 6.157 -3.387 -3.243 1.00 0.00 C ATOM 817 C VAL A 55 7.455 -4.120 -2.962 1.00 0.00 C ATOM 818 O VAL A 55 7.712 -4.482 -1.808 1.00 0.00 O ATOM 819 CB VAL A 55 6.227 -1.882 -2.944 1.00 0.00 C ATOM 820 CG1 VAL A 55 7.547 -1.207 -3.358 1.00 0.00 C ATOM 821 CG2 VAL A 55 5.108 -1.193 -3.720 1.00 0.00 C ATOM 0 H VAL A 55 5.320 -4.038 -1.462 1.00 0.00 H new ATOM 0 HA VAL A 55 5.934 -3.431 -4.309 1.00 0.00 H new ATOM 0 HB VAL A 55 6.139 -1.782 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.507 -0.146 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.376 -1.673 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.694 -1.323 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.136 -0.121 -3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.242 -1.371 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.145 -1.594 -3.404 1.00 0.00 H new ATOM 831 N THR A 56 8.248 -4.325 -4.011 1.00 0.00 N ATOM 832 CA THR A 56 9.512 -5.030 -3.952 1.00 0.00 C ATOM 833 C THR A 56 10.634 -4.172 -4.552 1.00 0.00 C ATOM 834 O THR A 56 10.676 -3.981 -5.769 1.00 0.00 O ATOM 835 CB THR A 56 9.339 -6.376 -4.691 1.00 0.00 C ATOM 836 OG1 THR A 56 8.116 -7.008 -4.338 1.00 0.00 O ATOM 837 CG2 THR A 56 10.479 -7.340 -4.370 1.00 0.00 C ATOM 0 H THR A 56 8.017 -3.994 -4.948 1.00 0.00 H new ATOM 0 HA THR A 56 9.800 -5.228 -2.919 1.00 0.00 H new ATOM 0 HB THR A 56 9.341 -6.143 -5.756 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.034 -7.856 -4.823 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.326 -8.276 -4.906 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.427 -6.897 -4.676 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.499 -7.535 -3.298 1.00 0.00 H new ATOM 845 N GLU A 57 11.514 -3.625 -3.704 1.00 0.00 N ATOM 846 CA GLU A 57 12.664 -2.814 -4.133 1.00 0.00 C ATOM 847 C GLU A 57 13.718 -3.714 -4.796 1.00 0.00 C ATOM 848 O GLU A 57 14.580 -3.214 -5.539 1.00 0.00 O ATOM 849 CB GLU A 57 13.236 -2.068 -2.909 1.00 0.00 C ATOM 850 CG GLU A 57 14.189 -0.904 -3.239 1.00 0.00 C ATOM 851 CD GLU A 57 14.891 -0.337 -1.993 1.00 0.00 C ATOM 852 OE1 GLU A 57 14.230 0.193 -1.073 1.00 0.00 O ATOM 853 OE2 GLU A 57 16.135 -0.434 -1.895 1.00 0.00 O ATOM 0 H GLU A 57 11.449 -3.733 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 57 12.353 -2.075 -4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.406 -1.681 -2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.766 -2.784 -2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.941 -1.246 -3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.627 -0.108 -3.728 1.00 0.00 H new TER 860 GLU A 57