USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 519 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+ 171:sc= -0.989 (180deg=-1.1) USER MOD Single : A 3 LYS NZ :NH3+ -164:sc= -0.0938 (180deg=-0.395) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 176:sc= 0 (180deg=-0.0207) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0685 K(o=-0.068,f=-0.65) USER MOD Single : A 13 HIS : no HD1:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.278 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 85:sc= 0.257 USER MOD Single : A 20 LYS NZ :NH3+ -120:sc= 0.664 (180deg=-1.75!) USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= -0.0636 (180deg=-0.47) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 82:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000222) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -125:sc= 0.934 (180deg=-0.273) USER MOD Single : A 53 GLN : amide:sc= 0.101 X(o=0.1,f=-0.27) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -169:sc= -0.0144 (180deg=-0.189) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.406 7.407 3.208 1.00 0.00 N ATOM 2 CA MET A 1 9.431 8.570 2.319 1.00 0.00 C ATOM 3 C MET A 1 8.532 8.415 1.100 1.00 0.00 C ATOM 4 O MET A 1 8.237 9.427 0.464 1.00 0.00 O ATOM 5 CB MET A 1 10.870 8.942 1.923 1.00 0.00 C ATOM 6 CG MET A 1 11.471 8.032 0.847 1.00 0.00 C ATOM 7 SD MET A 1 13.016 8.635 0.138 1.00 0.00 S ATOM 8 CE MET A 1 13.247 7.304 -1.064 1.00 0.00 C ATOM 0 H1 MET A 1 10.146 7.507 3.932 1.00 0.00 H new ATOM 0 H2 MET A 1 8.476 7.343 3.670 1.00 0.00 H new ATOM 0 H3 MET A 1 9.578 6.543 2.655 1.00 0.00 H new ATOM 0 HA MET A 1 9.015 9.400 2.891 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.883 9.971 1.564 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.502 8.906 2.810 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.644 7.046 1.278 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.742 7.907 0.046 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.164 7.477 -1.627 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.317 6.350 -0.541 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.399 7.281 -1.749 1.00 0.00 H new ATOM 18 N LEU A 2 8.100 7.200 0.745 1.00 0.00 N ATOM 19 CA LEU A 2 7.271 6.987 -0.429 1.00 0.00 C ATOM 20 C LEU A 2 5.799 7.048 -0.048 1.00 0.00 C ATOM 21 O LEU A 2 5.414 6.847 1.108 1.00 0.00 O ATOM 22 CB LEU A 2 7.621 5.635 -1.076 1.00 0.00 C ATOM 23 CG LEU A 2 9.080 5.501 -1.564 1.00 0.00 C ATOM 24 CD1 LEU A 2 9.331 4.066 -2.039 1.00 0.00 C ATOM 25 CD2 LEU A 2 9.434 6.504 -2.660 1.00 0.00 C ATOM 0 H LEU A 2 8.317 6.349 1.263 1.00 0.00 H new ATOM 0 HA LEU A 2 7.464 7.776 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 2 7.421 4.842 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.954 5.472 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 2 9.731 5.730 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.361 3.972 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.159 3.374 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.651 3.830 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.471 6.361 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.781 6.350 -3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.302 7.518 -2.282 1.00 0.00 H new ATOM 37 N LYS A 3 4.974 7.331 -1.051 1.00 0.00 N ATOM 38 CA LYS A 3 3.529 7.456 -0.951 1.00 0.00 C ATOM 39 C LYS A 3 2.971 6.541 -2.025 1.00 0.00 C ATOM 40 O LYS A 3 3.527 6.477 -3.128 1.00 0.00 O ATOM 41 CB LYS A 3 3.116 8.918 -1.196 1.00 0.00 C ATOM 42 CG LYS A 3 3.816 9.955 -0.294 1.00 0.00 C ATOM 43 CD LYS A 3 3.191 10.095 1.099 1.00 0.00 C ATOM 44 CE LYS A 3 1.884 10.902 1.111 1.00 0.00 C ATOM 45 NZ LYS A 3 2.048 12.262 0.565 1.00 0.00 N ATOM 0 H LYS A 3 5.314 7.486 -2.000 1.00 0.00 H new ATOM 0 HA LYS A 3 3.152 7.181 0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.321 9.168 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.039 9.004 -1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.864 9.677 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.794 10.926 -0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.998 9.101 1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.910 10.574 1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.129 10.371 0.531 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.512 10.968 2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.232 12.846 0.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.919 12.685 0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.108 12.215 -0.472 1.00 0.00 H new ATOM 59 N LEU A 4 1.883 5.842 -1.746 1.00 0.00 N ATOM 60 CA LEU A 4 1.267 4.925 -2.683 1.00 0.00 C ATOM 61 C LEU A 4 -0.227 5.183 -2.709 1.00 0.00 C ATOM 62 O LEU A 4 -0.850 5.333 -1.655 1.00 0.00 O ATOM 63 CB LEU A 4 1.572 3.481 -2.237 1.00 0.00 C ATOM 64 CG LEU A 4 1.190 2.414 -3.282 1.00 0.00 C ATOM 65 CD1 LEU A 4 2.219 2.374 -4.415 1.00 0.00 C ATOM 66 CD2 LEU A 4 1.128 1.037 -2.619 1.00 0.00 C ATOM 0 H LEU A 4 1.399 5.898 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 4 1.663 5.071 -3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.636 3.396 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.037 3.276 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 4 0.215 2.674 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.931 1.614 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.260 3.347 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.200 2.132 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.858 0.287 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.102 0.793 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.380 1.048 -1.826 1.00 0.00 H new ATOM 78 N LYS A 5 -0.777 5.438 -3.893 1.00 0.00 N ATOM 79 CA LYS A 5 -2.216 5.616 -4.041 1.00 0.00 C ATOM 80 C LYS A 5 -2.659 4.175 -4.229 1.00 0.00 C ATOM 81 O LYS A 5 -2.009 3.455 -4.992 1.00 0.00 O ATOM 82 CB LYS A 5 -2.627 6.387 -5.305 1.00 0.00 C ATOM 83 CG LYS A 5 -2.496 7.906 -5.232 1.00 0.00 C ATOM 84 CD LYS A 5 -1.085 8.467 -5.407 1.00 0.00 C ATOM 85 CE LYS A 5 -0.629 8.573 -6.868 1.00 0.00 C ATOM 86 NZ LYS A 5 0.682 9.250 -6.964 1.00 0.00 N ATOM 0 H LYS A 5 -0.249 5.526 -4.761 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.638 6.177 -3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.022 6.029 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.664 6.142 -5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.137 8.343 -5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.880 8.238 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.040 9.456 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.384 7.833 -4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.561 7.577 -7.305 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.371 9.125 -7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.970 9.310 -7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.608 10.208 -6.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.392 8.709 -6.431 1.00 0.00 H new ATOM 100 N VAL A 6 -3.705 3.755 -3.539 1.00 0.00 N ATOM 101 CA VAL A 6 -4.252 2.419 -3.628 1.00 0.00 C ATOM 102 C VAL A 6 -5.742 2.656 -3.784 1.00 0.00 C ATOM 103 O VAL A 6 -6.330 3.319 -2.929 1.00 0.00 O ATOM 104 CB VAL A 6 -3.889 1.571 -2.397 1.00 0.00 C ATOM 105 CG1 VAL A 6 -4.463 0.150 -2.515 1.00 0.00 C ATOM 106 CG2 VAL A 6 -2.367 1.469 -2.211 1.00 0.00 C ATOM 0 H VAL A 6 -4.209 4.353 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.849 1.840 -4.459 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.324 2.073 -1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.191 -0.427 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.549 0.202 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.057 -0.334 -3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.148 0.863 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.923 1.005 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.949 2.467 -2.077 1.00 0.00 H new ATOM 116 N GLU A 7 -6.338 2.221 -4.887 1.00 0.00 N ATOM 117 CA GLU A 7 -7.761 2.412 -5.126 1.00 0.00 C ATOM 118 C GLU A 7 -8.401 1.076 -5.468 1.00 0.00 C ATOM 119 O GLU A 7 -7.775 0.213 -6.087 1.00 0.00 O ATOM 120 CB GLU A 7 -8.026 3.556 -6.123 1.00 0.00 C ATOM 121 CG GLU A 7 -7.328 3.520 -7.493 1.00 0.00 C ATOM 122 CD GLU A 7 -7.556 4.822 -8.281 1.00 0.00 C ATOM 123 OE1 GLU A 7 -8.601 5.492 -8.087 1.00 0.00 O ATOM 124 OE2 GLU A 7 -6.731 5.178 -9.159 1.00 0.00 O ATOM 0 H GLU A 7 -5.851 1.729 -5.636 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.255 2.755 -4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.101 3.597 -6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.748 4.490 -5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.259 3.362 -7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.702 2.675 -8.070 1.00 0.00 H new ATOM 131 N GLY A 8 -9.646 0.898 -5.040 1.00 0.00 N ATOM 132 CA GLY A 8 -10.403 -0.319 -5.252 1.00 0.00 C ATOM 133 C GLY A 8 -11.838 -0.130 -4.794 1.00 0.00 C ATOM 134 O GLY A 8 -12.230 0.967 -4.385 1.00 0.00 O ATOM 0 H GLY A 8 -10.162 1.612 -4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.383 -0.589 -6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.944 -1.142 -4.704 1.00 0.00 H new ATOM 138 N MET A 9 -12.636 -1.196 -4.861 1.00 0.00 N ATOM 139 CA MET A 9 -14.041 -1.155 -4.457 1.00 0.00 C ATOM 140 C MET A 9 -14.199 -0.822 -2.966 1.00 0.00 C ATOM 141 O MET A 9 -15.246 -0.300 -2.576 1.00 0.00 O ATOM 142 CB MET A 9 -14.736 -2.473 -4.826 1.00 0.00 C ATOM 143 CG MET A 9 -14.940 -2.567 -6.346 1.00 0.00 C ATOM 144 SD MET A 9 -15.550 -4.163 -6.957 1.00 0.00 S ATOM 145 CE MET A 9 -17.185 -4.232 -6.178 1.00 0.00 C ATOM 0 H MET A 9 -12.328 -2.109 -5.196 1.00 0.00 H new ATOM 0 HA MET A 9 -14.529 -0.348 -5.004 1.00 0.00 H new ATOM 0 HB2 MET A 9 -14.137 -3.316 -4.481 1.00 0.00 H new ATOM 0 HB3 MET A 9 -15.699 -2.537 -4.319 1.00 0.00 H new ATOM 0 HG2 MET A 9 -15.641 -1.790 -6.649 1.00 0.00 H new ATOM 0 HG3 MET A 9 -13.991 -2.349 -6.836 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.712 -5.124 -6.517 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.071 -4.267 -5.095 1.00 0.00 H new ATOM 0 HE3 MET A 9 -17.757 -3.346 -6.454 1.00 0.00 H new ATOM 155 N THR A 10 -13.177 -1.063 -2.142 1.00 0.00 N ATOM 156 CA THR A 10 -13.168 -0.780 -0.713 1.00 0.00 C ATOM 157 C THR A 10 -11.979 0.142 -0.416 1.00 0.00 C ATOM 158 O THR A 10 -10.979 0.136 -1.140 1.00 0.00 O ATOM 159 CB THR A 10 -13.161 -2.097 0.087 1.00 0.00 C ATOM 160 OG1 THR A 10 -12.187 -3.010 -0.392 1.00 0.00 O ATOM 161 CG2 THR A 10 -14.535 -2.768 -0.003 1.00 0.00 C ATOM 0 H THR A 10 -12.303 -1.476 -2.468 1.00 0.00 H new ATOM 0 HA THR A 10 -14.072 -0.257 -0.400 1.00 0.00 H new ATOM 0 HB THR A 10 -12.919 -1.841 1.119 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.216 -3.830 0.144 1.00 0.00 H new ATOM 0 HG21 THR A 10 -14.523 -3.698 0.565 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.293 -2.101 0.408 1.00 0.00 H new ATOM 0 HG23 THR A 10 -14.768 -2.982 -1.046 1.00 0.00 H new ATOM 169 N CYS A 11 -12.072 0.921 0.664 1.00 0.00 N ATOM 170 CA CYS A 11 -11.050 1.874 1.092 1.00 0.00 C ATOM 171 C CYS A 11 -10.732 1.788 2.593 1.00 0.00 C ATOM 172 O CYS A 11 -9.786 2.439 3.040 1.00 0.00 O ATOM 173 CB CYS A 11 -11.497 3.287 0.688 1.00 0.00 C ATOM 174 SG CYS A 11 -13.152 3.674 1.318 1.00 0.00 S ATOM 0 H CYS A 11 -12.884 0.904 1.281 1.00 0.00 H new ATOM 0 HA CYS A 11 -10.116 1.621 0.590 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -10.783 4.017 1.069 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -11.492 3.373 -0.399 1.00 0.00 H new ATOM 0 HG CYS A 11 -13.485 4.877 0.954 1.00 0.00 H new ATOM 180 N ASN A 12 -11.466 0.970 3.359 1.00 0.00 N ATOM 181 CA ASN A 12 -11.276 0.794 4.798 1.00 0.00 C ATOM 182 C ASN A 12 -10.846 -0.628 5.124 1.00 0.00 C ATOM 183 O ASN A 12 -9.702 -0.848 5.490 1.00 0.00 O ATOM 184 CB ASN A 12 -12.537 1.192 5.564 1.00 0.00 C ATOM 185 CG ASN A 12 -12.283 1.151 7.063 1.00 0.00 C ATOM 186 OD1 ASN A 12 -12.256 0.080 7.666 1.00 0.00 O ATOM 187 ND2 ASN A 12 -12.116 2.295 7.695 1.00 0.00 N ATOM 0 H ASN A 12 -12.225 0.401 2.983 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.472 1.456 5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.848 2.194 5.269 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.354 0.517 5.309 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -11.961 2.303 8.703 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.142 3.173 7.176 1.00 0.00 H new ATOM 194 N HIS A 13 -11.711 -1.631 4.939 1.00 0.00 N ATOM 195 CA HIS A 13 -11.347 -3.018 5.248 1.00 0.00 C ATOM 196 C HIS A 13 -10.121 -3.517 4.467 1.00 0.00 C ATOM 197 O HIS A 13 -9.481 -4.479 4.902 1.00 0.00 O ATOM 198 CB HIS A 13 -12.554 -3.945 5.053 1.00 0.00 C ATOM 199 CG HIS A 13 -13.214 -4.363 6.344 1.00 0.00 C ATOM 200 ND1 HIS A 13 -13.576 -5.651 6.664 1.00 0.00 N ATOM 201 CD2 HIS A 13 -13.553 -3.561 7.403 1.00 0.00 C ATOM 202 CE1 HIS A 13 -14.140 -5.631 7.877 1.00 0.00 C ATOM 203 NE2 HIS A 13 -14.147 -4.379 8.374 1.00 0.00 N ATOM 0 H HIS A 13 -12.658 -1.511 4.581 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.053 -3.039 6.297 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.290 -3.442 4.426 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.233 -4.837 4.514 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -13.392 -2.496 7.476 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -14.535 -6.498 8.387 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -14.513 -4.084 9.279 1.00 0.00 H new ATOM 211 N CYS A 14 -9.770 -2.882 3.344 1.00 0.00 N ATOM 212 CA CYS A 14 -8.628 -3.234 2.514 1.00 0.00 C ATOM 213 C CYS A 14 -7.305 -3.146 3.287 1.00 0.00 C ATOM 214 O CYS A 14 -6.370 -3.874 2.955 1.00 0.00 O ATOM 215 CB CYS A 14 -8.604 -2.371 1.247 1.00 0.00 C ATOM 216 SG CYS A 14 -8.581 -0.601 1.633 1.00 0.00 S ATOM 0 H CYS A 14 -10.293 -2.085 2.982 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.740 -4.276 2.215 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.726 -2.624 0.652 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.478 -2.598 0.637 1.00 0.00 H new ATOM 0 HG CYS A 14 -8.559 0.084 0.528 1.00 0.00 H new ATOM 222 N VAL A 15 -7.207 -2.292 4.318 1.00 0.00 N ATOM 223 CA VAL A 15 -5.993 -2.118 5.119 1.00 0.00 C ATOM 224 C VAL A 15 -5.446 -3.437 5.662 1.00 0.00 C ATOM 225 O VAL A 15 -4.236 -3.547 5.870 1.00 0.00 O ATOM 226 CB VAL A 15 -6.216 -1.119 6.274 1.00 0.00 C ATOM 227 CG1 VAL A 15 -6.669 0.238 5.737 1.00 0.00 C ATOM 228 CG2 VAL A 15 -7.169 -1.641 7.364 1.00 0.00 C ATOM 0 H VAL A 15 -7.979 -1.698 4.619 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.244 -1.710 4.441 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.250 -0.996 6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.820 0.926 6.569 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.906 0.638 5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.604 0.119 5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.279 -0.887 8.143 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.144 -1.853 6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.761 -2.554 7.798 1.00 0.00 H new ATOM 238 N MET A 16 -6.306 -4.431 5.918 1.00 0.00 N ATOM 239 CA MET A 16 -5.844 -5.710 6.427 1.00 0.00 C ATOM 240 C MET A 16 -5.027 -6.394 5.334 1.00 0.00 C ATOM 241 O MET A 16 -3.879 -6.751 5.581 1.00 0.00 O ATOM 242 CB MET A 16 -7.038 -6.565 6.865 1.00 0.00 C ATOM 243 CG MET A 16 -6.594 -7.792 7.667 1.00 0.00 C ATOM 244 SD MET A 16 -5.950 -7.387 9.313 1.00 0.00 S ATOM 245 CE MET A 16 -4.605 -8.589 9.438 1.00 0.00 C ATOM 0 H MET A 16 -7.315 -4.367 5.780 1.00 0.00 H new ATOM 0 HA MET A 16 -5.213 -5.569 7.304 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.715 -5.961 7.469 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.596 -6.888 5.986 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.439 -8.472 7.774 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.826 -8.324 7.106 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.102 -8.474 10.398 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.010 -9.598 9.359 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.891 -8.421 8.632 1.00 0.00 H new ATOM 255 N ALA A 17 -5.567 -6.493 4.115 1.00 0.00 N ATOM 256 CA ALA A 17 -4.898 -7.108 2.980 1.00 0.00 C ATOM 257 C ALA A 17 -3.606 -6.365 2.659 1.00 0.00 C ATOM 258 O ALA A 17 -2.547 -6.982 2.564 1.00 0.00 O ATOM 259 CB ALA A 17 -5.820 -7.082 1.757 1.00 0.00 C ATOM 0 H ALA A 17 -6.498 -6.140 3.893 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.659 -8.141 3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.314 -7.544 0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.734 -7.634 1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.070 -6.050 1.512 1.00 0.00 H new ATOM 265 N VAL A 18 -3.684 -5.038 2.538 1.00 0.00 N ATOM 266 CA VAL A 18 -2.549 -4.189 2.211 1.00 0.00 C ATOM 267 C VAL A 18 -1.409 -4.390 3.214 1.00 0.00 C ATOM 268 O VAL A 18 -0.312 -4.769 2.795 1.00 0.00 O ATOM 269 CB VAL A 18 -3.020 -2.720 2.110 1.00 0.00 C ATOM 270 CG1 VAL A 18 -1.857 -1.753 1.845 1.00 0.00 C ATOM 271 CG2 VAL A 18 -4.054 -2.529 0.985 1.00 0.00 C ATOM 0 H VAL A 18 -4.553 -4.520 2.668 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.143 -4.470 1.239 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.470 -2.493 3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.238 -0.734 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.135 -1.821 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.371 -2.017 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.360 -1.484 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.610 -2.813 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.924 -3.155 1.181 1.00 0.00 H new ATOM 281 N THR A 19 -1.647 -4.234 4.520 1.00 0.00 N ATOM 282 CA THR A 19 -0.598 -4.393 5.525 1.00 0.00 C ATOM 283 C THR A 19 -0.142 -5.859 5.627 1.00 0.00 C ATOM 284 O THR A 19 1.051 -6.114 5.814 1.00 0.00 O ATOM 285 CB THR A 19 -1.091 -3.793 6.850 1.00 0.00 C ATOM 286 OG1 THR A 19 -1.532 -2.464 6.642 1.00 0.00 O ATOM 287 CG2 THR A 19 -0.027 -3.753 7.945 1.00 0.00 C ATOM 0 H THR A 19 -2.562 -3.997 4.904 1.00 0.00 H new ATOM 0 HA THR A 19 0.298 -3.846 5.234 1.00 0.00 H new ATOM 0 HB THR A 19 -1.896 -4.448 7.184 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.463 -2.472 6.337 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.451 -3.316 8.849 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.315 -4.766 8.157 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.816 -3.148 7.611 1.00 0.00 H new ATOM 295 N LYS A 20 -1.046 -6.837 5.484 1.00 0.00 N ATOM 296 CA LYS A 20 -0.704 -8.262 5.534 1.00 0.00 C ATOM 297 C LYS A 20 0.275 -8.544 4.402 1.00 0.00 C ATOM 298 O LYS A 20 1.311 -9.167 4.630 1.00 0.00 O ATOM 299 CB LYS A 20 -1.992 -9.105 5.443 1.00 0.00 C ATOM 300 CG LYS A 20 -1.805 -10.629 5.324 1.00 0.00 C ATOM 301 CD LYS A 20 -1.568 -11.207 3.916 1.00 0.00 C ATOM 302 CE LYS A 20 -2.653 -10.770 2.922 1.00 0.00 C ATOM 303 NZ LYS A 20 -2.587 -11.498 1.642 1.00 0.00 N ATOM 0 H LYS A 20 -2.039 -6.660 5.330 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.225 -8.532 6.475 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.596 -8.903 6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.564 -8.763 4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.961 -10.915 5.952 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.690 -11.110 5.741 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.592 -10.885 3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.544 -12.295 3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.634 -10.925 3.372 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.555 -9.701 2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.434 -10.823 0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.800 -12.178 1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.480 -12.008 1.486 1.00 0.00 H new ATOM 317 N ALA A 21 -0.031 -8.073 3.193 1.00 0.00 N ATOM 318 CA ALA A 21 0.815 -8.254 2.033 1.00 0.00 C ATOM 319 C ALA A 21 2.162 -7.566 2.270 1.00 0.00 C ATOM 320 O ALA A 21 3.189 -8.209 2.101 1.00 0.00 O ATOM 321 CB ALA A 21 0.108 -7.734 0.779 1.00 0.00 C ATOM 0 H ALA A 21 -0.885 -7.550 2.999 1.00 0.00 H new ATOM 0 HA ALA A 21 1.008 -9.315 1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.754 -7.875 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.822 -8.283 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.112 -6.673 0.899 1.00 0.00 H new ATOM 327 N LEU A 22 2.196 -6.298 2.707 1.00 0.00 N ATOM 328 CA LEU A 22 3.461 -5.583 2.946 1.00 0.00 C ATOM 329 C LEU A 22 4.344 -6.294 3.967 1.00 0.00 C ATOM 330 O LEU A 22 5.570 -6.159 3.923 1.00 0.00 O ATOM 331 CB LEU A 22 3.253 -4.116 3.355 1.00 0.00 C ATOM 332 CG LEU A 22 2.662 -3.233 2.244 1.00 0.00 C ATOM 333 CD1 LEU A 22 2.595 -1.776 2.697 1.00 0.00 C ATOM 334 CD2 LEU A 22 3.407 -3.376 0.906 1.00 0.00 C ATOM 0 H LEU A 22 1.361 -5.745 2.903 1.00 0.00 H new ATOM 0 HA LEU A 22 3.977 -5.587 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.593 -4.082 4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.210 -3.698 3.667 1.00 0.00 H new ATOM 0 HG LEU A 22 1.647 -3.586 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.174 -1.166 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.965 -1.699 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.598 -1.422 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.944 -2.729 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.450 -3.089 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.355 -4.411 0.570 1.00 0.00 H new ATOM 346 N LYS A 23 3.757 -7.046 4.905 1.00 0.00 N ATOM 347 CA LYS A 23 4.529 -7.789 5.899 1.00 0.00 C ATOM 348 C LYS A 23 5.481 -8.756 5.191 1.00 0.00 C ATOM 349 O LYS A 23 6.559 -9.028 5.721 1.00 0.00 O ATOM 350 CB LYS A 23 3.571 -8.573 6.807 1.00 0.00 C ATOM 351 CG LYS A 23 4.194 -9.119 8.098 1.00 0.00 C ATOM 352 CD LYS A 23 4.678 -7.980 9.009 1.00 0.00 C ATOM 353 CE LYS A 23 4.600 -8.305 10.503 1.00 0.00 C ATOM 354 NZ LYS A 23 3.214 -8.587 10.944 1.00 0.00 N ATOM 0 H LYS A 23 2.747 -7.154 4.994 1.00 0.00 H new ATOM 0 HA LYS A 23 5.111 -7.093 6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.735 -7.925 7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.160 -9.408 6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.461 -9.726 8.629 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.031 -9.772 7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.709 -7.737 8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.082 -7.090 8.809 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.230 -9.168 10.719 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.998 -7.468 11.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.138 -8.434 11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.556 -7.951 10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.973 -9.574 10.722 1.00 0.00 H new ATOM 368 N LYS A 24 5.117 -9.257 3.999 1.00 0.00 N ATOM 369 CA LYS A 24 5.946 -10.182 3.235 1.00 0.00 C ATOM 370 C LYS A 24 7.294 -9.589 2.853 1.00 0.00 C ATOM 371 O LYS A 24 8.172 -10.371 2.496 1.00 0.00 O ATOM 372 CB LYS A 24 5.225 -10.727 1.983 1.00 0.00 C ATOM 373 CG LYS A 24 5.408 -9.929 0.675 1.00 0.00 C ATOM 374 CD LYS A 24 4.650 -10.593 -0.479 1.00 0.00 C ATOM 375 CE LYS A 24 4.700 -9.690 -1.716 1.00 0.00 C ATOM 376 NZ LYS A 24 4.541 -10.453 -2.969 1.00 0.00 N ATOM 0 H LYS A 24 4.234 -9.026 3.543 1.00 0.00 H new ATOM 0 HA LYS A 24 6.133 -11.020 3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.568 -11.747 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.159 -10.782 2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.049 -8.909 0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.468 -9.863 0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.092 -11.563 -0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.615 -10.774 -0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.913 -8.939 -1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.650 -9.156 -1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.581 -9.802 -3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.306 -11.153 -3.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.623 -10.942 -2.963 1.00 0.00 H new ATOM 390 N VAL A 25 7.472 -8.269 2.914 1.00 0.00 N ATOM 391 CA VAL A 25 8.719 -7.622 2.557 1.00 0.00 C ATOM 392 C VAL A 25 9.503 -7.311 3.844 1.00 0.00 C ATOM 393 O VAL A 25 9.302 -6.246 4.445 1.00 0.00 O ATOM 394 CB VAL A 25 8.418 -6.363 1.707 1.00 0.00 C ATOM 395 CG1 VAL A 25 9.708 -5.807 1.087 1.00 0.00 C ATOM 396 CG2 VAL A 25 7.425 -6.632 0.566 1.00 0.00 C ATOM 0 H VAL A 25 6.745 -7.621 3.216 1.00 0.00 H new ATOM 0 HA VAL A 25 9.343 -8.273 1.946 1.00 0.00 H new ATOM 0 HB VAL A 25 7.972 -5.644 2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.475 -4.923 0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.406 -5.538 1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.160 -6.565 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.255 -5.712 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.834 -7.391 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.481 -6.984 0.981 1.00 0.00 H new ATOM 406 N PRO A 26 10.396 -8.204 4.311 1.00 0.00 N ATOM 407 CA PRO A 26 11.198 -7.947 5.495 1.00 0.00 C ATOM 408 C PRO A 26 12.206 -6.862 5.092 1.00 0.00 C ATOM 409 O PRO A 26 12.995 -7.053 4.161 1.00 0.00 O ATOM 410 CB PRO A 26 11.855 -9.285 5.848 1.00 0.00 C ATOM 411 CG PRO A 26 11.988 -9.983 4.497 1.00 0.00 C ATOM 412 CD PRO A 26 10.745 -9.507 3.757 1.00 0.00 C ATOM 0 HA PRO A 26 10.648 -7.593 6.367 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.825 -9.143 6.324 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.242 -9.863 6.540 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.903 -9.695 3.980 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.008 -11.068 4.601 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.937 -9.433 2.687 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.925 -10.213 3.885 1.00 0.00 H new ATOM 420 N GLY A 27 12.142 -5.695 5.723 1.00 0.00 N ATOM 421 CA GLY A 27 13.024 -4.571 5.445 1.00 0.00 C ATOM 422 C GLY A 27 12.282 -3.250 5.304 1.00 0.00 C ATOM 423 O GLY A 27 12.947 -2.224 5.199 1.00 0.00 O ATOM 0 H GLY A 27 11.461 -5.501 6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.757 -4.485 6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.577 -4.770 4.527 1.00 0.00 H new ATOM 427 N VAL A 28 10.948 -3.234 5.227 1.00 0.00 N ATOM 428 CA VAL A 28 10.218 -1.968 5.119 1.00 0.00 C ATOM 429 C VAL A 28 10.017 -1.459 6.544 1.00 0.00 C ATOM 430 O VAL A 28 10.425 -0.353 6.876 1.00 0.00 O ATOM 431 CB VAL A 28 8.880 -2.137 4.380 1.00 0.00 C ATOM 432 CG1 VAL A 28 8.215 -0.763 4.207 1.00 0.00 C ATOM 433 CG2 VAL A 28 9.082 -2.803 3.011 1.00 0.00 C ATOM 0 H VAL A 28 10.360 -4.068 5.237 1.00 0.00 H new ATOM 0 HA VAL A 28 10.784 -1.248 4.527 1.00 0.00 H new ATOM 0 HB VAL A 28 8.235 -2.784 4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.266 -0.881 3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.036 -0.320 5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.870 -0.112 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.119 -2.909 2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.741 -2.186 2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.530 -3.787 3.148 1.00 0.00 H new ATOM 443 N GLU A 29 9.385 -2.273 7.391 1.00 0.00 N ATOM 444 CA GLU A 29 9.105 -2.011 8.794 1.00 0.00 C ATOM 445 C GLU A 29 8.165 -0.833 9.118 1.00 0.00 C ATOM 446 O GLU A 29 7.564 -0.873 10.191 1.00 0.00 O ATOM 447 CB GLU A 29 10.448 -1.923 9.538 1.00 0.00 C ATOM 448 CG GLU A 29 10.398 -2.647 10.879 1.00 0.00 C ATOM 449 CD GLU A 29 11.817 -2.869 11.376 1.00 0.00 C ATOM 450 OE1 GLU A 29 12.418 -1.947 11.970 1.00 0.00 O ATOM 451 OE2 GLU A 29 12.366 -3.964 11.119 1.00 0.00 O ATOM 0 H GLU A 29 9.037 -3.184 7.094 1.00 0.00 H new ATOM 0 HA GLU A 29 8.508 -2.851 9.149 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.235 -2.355 8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.707 -0.877 9.699 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.833 -2.059 11.603 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.883 -3.602 10.772 1.00 0.00 H new ATOM 458 N LYS A 30 7.923 0.142 8.232 1.00 0.00 N ATOM 459 CA LYS A 30 7.031 1.282 8.489 1.00 0.00 C ATOM 460 C LYS A 30 6.035 1.458 7.347 1.00 0.00 C ATOM 461 O LYS A 30 6.431 1.795 6.228 1.00 0.00 O ATOM 462 CB LYS A 30 7.852 2.559 8.710 1.00 0.00 C ATOM 463 CG LYS A 30 7.989 2.976 10.178 1.00 0.00 C ATOM 464 CD LYS A 30 6.685 3.588 10.711 1.00 0.00 C ATOM 465 CE LYS A 30 6.880 4.331 12.033 1.00 0.00 C ATOM 466 NZ LYS A 30 7.521 5.649 11.845 1.00 0.00 N ATOM 0 H LYS A 30 8.346 0.162 7.304 1.00 0.00 H new ATOM 0 HA LYS A 30 6.462 1.081 9.397 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.848 2.413 8.292 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.389 3.375 8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.258 2.109 10.781 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.799 3.698 10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.281 4.276 9.968 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.947 2.798 10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.913 4.465 12.518 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.491 3.724 12.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.633 6.116 12.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.455 5.521 11.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.927 6.239 11.228 1.00 0.00 H new ATOM 480 N VAL A 31 4.746 1.258 7.628 1.00 0.00 N ATOM 481 CA VAL A 31 3.656 1.365 6.662 1.00 0.00 C ATOM 482 C VAL A 31 2.444 2.044 7.320 1.00 0.00 C ATOM 483 O VAL A 31 2.234 1.873 8.519 1.00 0.00 O ATOM 484 CB VAL A 31 3.340 -0.045 6.106 1.00 0.00 C ATOM 485 CG1 VAL A 31 4.544 -0.645 5.358 1.00 0.00 C ATOM 486 CG2 VAL A 31 2.897 -1.062 7.172 1.00 0.00 C ATOM 0 H VAL A 31 4.424 1.010 8.563 1.00 0.00 H new ATOM 0 HA VAL A 31 3.941 1.992 5.817 1.00 0.00 H new ATOM 0 HB VAL A 31 2.503 0.123 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.283 -1.635 4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.812 0.001 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.391 -0.727 6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.696 -2.022 6.697 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.688 -1.182 7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.992 -0.704 7.663 1.00 0.00 H new ATOM 496 N GLU A 32 1.686 2.861 6.583 1.00 0.00 N ATOM 497 CA GLU A 32 0.492 3.566 7.067 1.00 0.00 C ATOM 498 C GLU A 32 -0.558 3.611 5.958 1.00 0.00 C ATOM 499 O GLU A 32 -0.179 3.652 4.782 1.00 0.00 O ATOM 500 CB GLU A 32 0.803 4.999 7.529 1.00 0.00 C ATOM 501 CG GLU A 32 -0.246 5.509 8.530 1.00 0.00 C ATOM 502 CD GLU A 32 0.057 6.936 8.985 1.00 0.00 C ATOM 503 OE1 GLU A 32 1.025 7.136 9.758 1.00 0.00 O ATOM 504 OE2 GLU A 32 -0.673 7.867 8.560 1.00 0.00 O ATOM 0 H GLU A 32 1.891 3.057 5.603 1.00 0.00 H new ATOM 0 HA GLU A 32 0.117 3.016 7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.791 5.028 7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.835 5.662 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.234 5.475 8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.274 4.848 9.397 1.00 0.00 H new ATOM 511 N VAL A 33 -1.849 3.522 6.285 1.00 0.00 N ATOM 512 CA VAL A 33 -2.929 3.592 5.303 1.00 0.00 C ATOM 513 C VAL A 33 -3.955 4.611 5.808 1.00 0.00 C ATOM 514 O VAL A 33 -4.370 4.555 6.971 1.00 0.00 O ATOM 515 CB VAL A 33 -3.549 2.214 5.011 1.00 0.00 C ATOM 516 CG1 VAL A 33 -4.400 2.339 3.744 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.505 1.107 4.794 1.00 0.00 C ATOM 0 H VAL A 33 -2.174 3.399 7.244 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.534 3.921 4.342 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.138 1.927 5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.853 1.375 3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.184 3.079 3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.770 2.653 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.012 0.163 4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.871 1.366 3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.891 1.006 5.689 1.00 0.00 H new ATOM 527 N SER A 34 -4.335 5.560 4.954 1.00 0.00 N ATOM 528 CA SER A 34 -5.285 6.616 5.258 1.00 0.00 C ATOM 529 C SER A 34 -6.726 6.089 5.242 1.00 0.00 C ATOM 530 O SER A 34 -7.107 5.306 4.368 1.00 0.00 O ATOM 531 CB SER A 34 -5.072 7.753 4.255 1.00 0.00 C ATOM 532 OG SER A 34 -3.696 8.108 4.165 1.00 0.00 O ATOM 0 H SER A 34 -3.975 5.612 4.001 1.00 0.00 H new ATOM 0 HA SER A 34 -5.117 6.994 6.266 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.437 7.449 3.274 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.656 8.622 4.557 1.00 0.00 H new ATOM 0 HG SER A 34 -3.236 7.485 3.564 1.00 0.00 H new ATOM 538 N LEU A 35 -7.497 6.430 6.278 1.00 0.00 N ATOM 539 CA LEU A 35 -8.894 6.033 6.427 1.00 0.00 C ATOM 540 C LEU A 35 -9.825 6.790 5.488 1.00 0.00 C ATOM 541 O LEU A 35 -10.647 6.204 4.790 1.00 0.00 O ATOM 542 CB LEU A 35 -9.400 6.246 7.866 1.00 0.00 C ATOM 543 CG LEU A 35 -8.545 5.636 8.989 1.00 0.00 C ATOM 544 CD1 LEU A 35 -9.318 5.681 10.312 1.00 0.00 C ATOM 545 CD2 LEU A 35 -8.113 4.203 8.682 1.00 0.00 C ATOM 0 H LEU A 35 -7.157 7.002 7.051 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.914 4.973 6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.483 7.318 8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.406 5.832 7.939 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.637 6.234 9.069 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.708 5.248 11.105 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.554 6.716 10.560 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.242 5.112 10.213 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.512 3.820 9.507 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.996 3.576 8.554 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.523 4.189 7.766 1.00 0.00 H new ATOM 557 N GLU A 36 -9.678 8.114 5.460 1.00 0.00 N ATOM 558 CA GLU A 36 -10.520 9.003 4.671 1.00 0.00 C ATOM 559 C GLU A 36 -10.320 8.915 3.159 1.00 0.00 C ATOM 560 O GLU A 36 -11.288 9.119 2.424 1.00 0.00 O ATOM 561 CB GLU A 36 -10.283 10.449 5.129 1.00 0.00 C ATOM 562 CG GLU A 36 -10.598 10.724 6.611 1.00 0.00 C ATOM 563 CD GLU A 36 -12.088 10.660 6.981 1.00 0.00 C ATOM 564 OE1 GLU A 36 -12.936 11.121 6.177 1.00 0.00 O ATOM 565 OE2 GLU A 36 -12.390 10.312 8.150 1.00 0.00 O ATOM 0 H GLU A 36 -8.959 8.603 5.994 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.545 8.678 4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.241 10.707 4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.892 11.113 4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.056 10.002 7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.217 11.712 6.871 1.00 0.00 H new ATOM 572 N LYS A 37 -9.115 8.616 2.669 1.00 0.00 N ATOM 573 CA LYS A 37 -8.819 8.535 1.236 1.00 0.00 C ATOM 574 C LYS A 37 -7.981 7.300 0.943 1.00 0.00 C ATOM 575 O LYS A 37 -7.338 6.786 1.855 1.00 0.00 O ATOM 576 CB LYS A 37 -8.069 9.812 0.813 1.00 0.00 C ATOM 577 CG LYS A 37 -8.955 11.064 0.899 1.00 0.00 C ATOM 578 CD LYS A 37 -8.261 12.357 0.451 1.00 0.00 C ATOM 579 CE LYS A 37 -7.794 12.412 -1.012 1.00 0.00 C ATOM 580 NZ LYS A 37 -8.825 11.995 -1.985 1.00 0.00 N ATOM 0 H LYS A 37 -8.308 8.421 3.262 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.747 8.455 0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.194 9.944 1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.706 9.696 -0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.843 10.910 0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.295 11.185 1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.945 13.188 0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.395 12.519 1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.479 13.429 -1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.919 11.773 -1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.444 12.074 -2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.098 11.009 -1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.659 12.609 -1.891 1.00 0.00 H new ATOM 594 N GLY A 38 -7.935 6.865 -0.319 1.00 0.00 N ATOM 595 CA GLY A 38 -7.182 5.701 -0.783 1.00 0.00 C ATOM 596 C GLY A 38 -5.680 5.959 -0.855 1.00 0.00 C ATOM 597 O GLY A 38 -5.036 5.626 -1.850 1.00 0.00 O ATOM 0 H GLY A 38 -8.440 7.332 -1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.370 4.862 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.544 5.409 -1.769 1.00 0.00 H new ATOM 601 N GLU A 39 -5.115 6.610 0.149 1.00 0.00 N ATOM 602 CA GLU A 39 -3.709 6.940 0.211 1.00 0.00 C ATOM 603 C GLU A 39 -3.025 5.998 1.202 1.00 0.00 C ATOM 604 O GLU A 39 -3.655 5.509 2.145 1.00 0.00 O ATOM 605 CB GLU A 39 -3.588 8.416 0.638 1.00 0.00 C ATOM 606 CG GLU A 39 -4.296 9.423 -0.286 1.00 0.00 C ATOM 607 CD GLU A 39 -3.819 9.339 -1.735 1.00 0.00 C ATOM 608 OE1 GLU A 39 -2.715 9.860 -2.040 1.00 0.00 O ATOM 609 OE2 GLU A 39 -4.534 8.744 -2.571 1.00 0.00 O ATOM 0 H GLU A 39 -5.640 6.930 0.963 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.220 6.816 -0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.994 8.522 1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.531 8.677 0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.371 9.246 -0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.127 10.433 0.089 1.00 0.00 H new ATOM 616 N ALA A 40 -1.733 5.750 0.999 1.00 0.00 N ATOM 617 CA ALA A 40 -0.904 4.910 1.845 1.00 0.00 C ATOM 618 C ALA A 40 0.511 5.498 1.872 1.00 0.00 C ATOM 619 O ALA A 40 0.933 6.180 0.930 1.00 0.00 O ATOM 620 CB ALA A 40 -0.924 3.472 1.323 1.00 0.00 C ATOM 0 H ALA A 40 -1.221 6.145 0.211 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.286 4.885 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.301 2.845 1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.947 3.096 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.539 3.450 0.304 1.00 0.00 H new ATOM 626 N LEU A 41 1.246 5.276 2.957 1.00 0.00 N ATOM 627 CA LEU A 41 2.612 5.742 3.181 1.00 0.00 C ATOM 628 C LEU A 41 3.485 4.511 3.396 1.00 0.00 C ATOM 629 O LEU A 41 3.032 3.520 3.981 1.00 0.00 O ATOM 630 CB LEU A 41 2.738 6.633 4.428 1.00 0.00 C ATOM 631 CG LEU A 41 2.148 8.056 4.397 1.00 0.00 C ATOM 632 CD1 LEU A 41 0.629 8.130 4.200 1.00 0.00 C ATOM 633 CD2 LEU A 41 2.506 8.754 5.713 1.00 0.00 C ATOM 0 H LEU A 41 0.887 4.738 3.746 1.00 0.00 H new ATOM 0 HA LEU A 41 2.915 6.334 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.272 6.103 5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.799 6.723 4.662 1.00 0.00 H new ATOM 0 HG LEU A 41 2.583 8.544 3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.313 9.173 4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.362 7.663 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.130 7.606 5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.097 9.764 5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.086 8.194 6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.590 8.801 5.817 1.00 0.00 H new ATOM 645 N VAL A 42 4.724 4.572 2.914 1.00 0.00 N ATOM 646 CA VAL A 42 5.704 3.506 3.029 1.00 0.00 C ATOM 647 C VAL A 42 7.045 4.156 3.369 1.00 0.00 C ATOM 648 O VAL A 42 7.554 4.942 2.561 1.00 0.00 O ATOM 649 CB VAL A 42 5.760 2.710 1.704 1.00 0.00 C ATOM 650 CG1 VAL A 42 6.844 1.626 1.750 1.00 0.00 C ATOM 651 CG2 VAL A 42 4.421 2.034 1.375 1.00 0.00 C ATOM 0 H VAL A 42 5.080 5.390 2.419 1.00 0.00 H new ATOM 0 HA VAL A 42 5.441 2.797 3.814 1.00 0.00 H new ATOM 0 HB VAL A 42 5.992 3.440 0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.858 1.085 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.816 2.090 1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.630 0.932 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.510 1.488 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.157 1.341 2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.644 2.793 1.281 1.00 0.00 H new ATOM 661 N GLU A 43 7.616 3.875 4.543 1.00 0.00 N ATOM 662 CA GLU A 43 8.910 4.414 4.943 1.00 0.00 C ATOM 663 C GLU A 43 9.876 3.241 4.926 1.00 0.00 C ATOM 664 O GLU A 43 9.856 2.402 5.822 1.00 0.00 O ATOM 665 CB GLU A 43 8.885 5.142 6.295 1.00 0.00 C ATOM 666 CG GLU A 43 10.119 6.043 6.425 1.00 0.00 C ATOM 667 CD GLU A 43 10.415 6.403 7.872 1.00 0.00 C ATOM 668 OE1 GLU A 43 9.829 7.373 8.392 1.00 0.00 O ATOM 669 OE2 GLU A 43 11.247 5.695 8.489 1.00 0.00 O ATOM 0 H GLU A 43 7.190 3.266 5.241 1.00 0.00 H new ATOM 0 HA GLU A 43 9.223 5.194 4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.977 5.739 6.380 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.866 4.417 7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.983 5.538 5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.963 6.956 5.850 1.00 0.00 H new ATOM 676 N GLY A 44 10.717 3.207 3.900 1.00 0.00 N ATOM 677 CA GLY A 44 11.719 2.192 3.641 1.00 0.00 C ATOM 678 C GLY A 44 12.078 2.247 2.158 1.00 0.00 C ATOM 679 O GLY A 44 11.318 2.797 1.351 1.00 0.00 O ATOM 0 H GLY A 44 10.714 3.934 3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.604 2.366 4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.338 1.205 3.904 1.00 0.00 H new ATOM 683 N THR A 45 13.204 1.663 1.773 1.00 0.00 N ATOM 684 CA THR A 45 13.729 1.613 0.410 1.00 0.00 C ATOM 685 C THR A 45 12.961 0.606 -0.479 1.00 0.00 C ATOM 686 O THR A 45 13.538 -0.019 -1.371 1.00 0.00 O ATOM 687 CB THR A 45 15.249 1.382 0.539 1.00 0.00 C ATOM 688 OG1 THR A 45 15.942 1.842 -0.600 1.00 0.00 O ATOM 689 CG2 THR A 45 15.635 -0.057 0.903 1.00 0.00 C ATOM 0 H THR A 45 13.811 1.184 2.438 1.00 0.00 H new ATOM 0 HA THR A 45 13.571 2.547 -0.129 1.00 0.00 H new ATOM 0 HB THR A 45 15.564 1.984 1.391 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.902 1.682 -0.485 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.720 -0.136 0.974 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.188 -0.322 1.861 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.272 -0.737 0.133 1.00 0.00 H new ATOM 697 N ALA A 46 11.659 0.413 -0.237 1.00 0.00 N ATOM 698 CA ALA A 46 10.802 -0.506 -0.971 1.00 0.00 C ATOM 699 C ALA A 46 10.847 -0.266 -2.485 1.00 0.00 C ATOM 700 O ALA A 46 11.050 0.855 -2.961 1.00 0.00 O ATOM 701 CB ALA A 46 9.368 -0.389 -0.449 1.00 0.00 C ATOM 0 H ALA A 46 11.163 0.912 0.501 1.00 0.00 H new ATOM 0 HA ALA A 46 11.175 -1.517 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.724 -1.076 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.345 -0.639 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.012 0.632 -0.589 1.00 0.00 H new ATOM 707 N ASP A 47 10.650 -1.340 -3.250 1.00 0.00 N ATOM 708 CA ASP A 47 10.662 -1.294 -4.710 1.00 0.00 C ATOM 709 C ASP A 47 9.255 -0.933 -5.202 1.00 0.00 C ATOM 710 O ASP A 47 8.309 -1.588 -4.760 1.00 0.00 O ATOM 711 CB ASP A 47 11.107 -2.651 -5.275 1.00 0.00 C ATOM 712 CG ASP A 47 11.684 -2.501 -6.678 1.00 0.00 C ATOM 713 OD1 ASP A 47 12.693 -1.775 -6.790 1.00 0.00 O ATOM 714 OD2 ASP A 47 11.185 -3.138 -7.632 1.00 0.00 O ATOM 0 H ASP A 47 10.477 -2.271 -2.871 1.00 0.00 H new ATOM 0 HA ASP A 47 11.368 -0.539 -5.055 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.854 -3.095 -4.617 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.258 -3.334 -5.299 1.00 0.00 H new ATOM 719 N PRO A 48 9.077 0.040 -6.113 1.00 0.00 N ATOM 720 CA PRO A 48 7.763 0.453 -6.612 1.00 0.00 C ATOM 721 C PRO A 48 6.882 -0.722 -7.078 1.00 0.00 C ATOM 722 O PRO A 48 5.848 -1.006 -6.454 1.00 0.00 O ATOM 723 CB PRO A 48 8.035 1.521 -7.681 1.00 0.00 C ATOM 724 CG PRO A 48 9.540 1.485 -7.941 1.00 0.00 C ATOM 725 CD PRO A 48 10.132 0.862 -6.687 1.00 0.00 C ATOM 0 HA PRO A 48 7.154 0.876 -5.814 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.477 1.311 -8.593 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.722 2.507 -7.336 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.775 0.894 -8.826 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.937 2.486 -8.111 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.009 0.261 -6.926 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.455 1.630 -5.984 1.00 0.00 H new ATOM 733 N LYS A 49 7.318 -1.477 -8.097 1.00 0.00 N ATOM 734 CA LYS A 49 6.553 -2.622 -8.599 1.00 0.00 C ATOM 735 C LYS A 49 6.281 -3.668 -7.517 1.00 0.00 C ATOM 736 O LYS A 49 5.383 -4.480 -7.717 1.00 0.00 O ATOM 737 CB LYS A 49 7.237 -3.283 -9.812 1.00 0.00 C ATOM 738 CG LYS A 49 8.577 -3.924 -9.419 1.00 0.00 C ATOM 739 CD LYS A 49 9.405 -4.464 -10.591 1.00 0.00 C ATOM 740 CE LYS A 49 10.221 -3.378 -11.300 1.00 0.00 C ATOM 741 NZ LYS A 49 11.257 -2.780 -10.426 1.00 0.00 N ATOM 0 H LYS A 49 8.197 -1.313 -8.588 1.00 0.00 H new ATOM 0 HA LYS A 49 5.593 -2.218 -8.920 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.579 -4.042 -10.234 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.403 -2.537 -10.589 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.173 -3.185 -8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.382 -4.741 -8.724 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.081 -5.237 -10.225 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.738 -4.938 -11.311 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.698 -3.805 -12.182 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.549 -2.594 -11.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.133 -1.748 -10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.166 -3.166 -9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.200 -3.006 -10.801 1.00 0.00 H new ATOM 755 N ALA A 50 7.071 -3.747 -6.436 1.00 0.00 N ATOM 756 CA ALA A 50 6.829 -4.725 -5.381 1.00 0.00 C ATOM 757 C ALA A 50 5.601 -4.306 -4.575 1.00 0.00 C ATOM 758 O ALA A 50 4.821 -5.171 -4.192 1.00 0.00 O ATOM 759 CB ALA A 50 8.057 -4.907 -4.484 1.00 0.00 C ATOM 0 H ALA A 50 7.879 -3.145 -6.275 1.00 0.00 H new ATOM 0 HA ALA A 50 6.637 -5.695 -5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.837 -5.643 -3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.898 -5.252 -5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.311 -3.955 -4.017 1.00 0.00 H new ATOM 765 N LEU A 51 5.431 -3.009 -4.300 1.00 0.00 N ATOM 766 CA LEU A 51 4.286 -2.475 -3.557 1.00 0.00 C ATOM 767 C LEU A 51 3.030 -2.668 -4.409 1.00 0.00 C ATOM 768 O LEU A 51 1.995 -3.175 -3.946 1.00 0.00 O ATOM 769 CB LEU A 51 4.475 -0.970 -3.282 1.00 0.00 C ATOM 770 CG LEU A 51 5.711 -0.591 -2.452 1.00 0.00 C ATOM 771 CD1 LEU A 51 5.877 0.934 -2.418 1.00 0.00 C ATOM 772 CD2 LEU A 51 5.601 -1.122 -1.023 1.00 0.00 C ATOM 0 H LEU A 51 6.094 -2.291 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 51 4.197 -2.998 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.529 -0.449 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.588 -0.600 -2.768 1.00 0.00 H new ATOM 0 HG LEU A 51 6.582 -1.044 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.756 1.191 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.000 1.309 -3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.993 1.386 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.490 -0.838 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.718 -0.699 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.516 -2.209 -1.044 1.00 0.00 H new ATOM 784 N VAL A 52 3.158 -2.258 -5.676 1.00 0.00 N ATOM 785 CA VAL A 52 2.094 -2.357 -6.656 1.00 0.00 C ATOM 786 C VAL A 52 1.642 -3.815 -6.719 1.00 0.00 C ATOM 787 O VAL A 52 0.472 -4.085 -6.474 1.00 0.00 O ATOM 788 CB VAL A 52 2.574 -1.778 -7.999 1.00 0.00 C ATOM 789 CG1 VAL A 52 1.590 -2.024 -9.145 1.00 0.00 C ATOM 790 CG2 VAL A 52 2.823 -0.264 -7.887 1.00 0.00 C ATOM 0 H VAL A 52 4.015 -1.846 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 52 1.222 -1.764 -6.379 1.00 0.00 H new ATOM 0 HB VAL A 52 3.502 -2.301 -8.229 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.986 -1.592 -10.064 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.449 -3.096 -9.280 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.633 -1.559 -8.909 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.161 0.121 -8.849 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.898 0.237 -7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.586 -0.076 -7.132 1.00 0.00 H new ATOM 800 N GLN A 53 2.556 -4.754 -6.981 1.00 0.00 N ATOM 801 CA GLN A 53 2.215 -6.167 -7.051 1.00 0.00 C ATOM 802 C GLN A 53 1.711 -6.700 -5.705 1.00 0.00 C ATOM 803 O GLN A 53 0.901 -7.628 -5.707 1.00 0.00 O ATOM 804 CB GLN A 53 3.369 -6.981 -7.653 1.00 0.00 C ATOM 805 CG GLN A 53 3.512 -6.689 -9.165 1.00 0.00 C ATOM 806 CD GLN A 53 2.314 -7.212 -9.958 1.00 0.00 C ATOM 807 OE1 GLN A 53 2.017 -8.401 -9.905 1.00 0.00 O ATOM 808 NE2 GLN A 53 1.596 -6.363 -10.679 1.00 0.00 N ATOM 0 H GLN A 53 3.542 -4.553 -7.148 1.00 0.00 H new ATOM 0 HA GLN A 53 1.374 -6.286 -7.734 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.299 -6.736 -7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.190 -8.045 -7.498 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.610 -5.615 -9.320 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.426 -7.150 -9.540 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.855 -5.377 -10.713 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.784 -6.695 -11.199 1.00 0.00 H new ATOM 817 N ALA A 54 2.157 -6.154 -4.564 1.00 0.00 N ATOM 818 CA ALA A 54 1.694 -6.603 -3.257 1.00 0.00 C ATOM 819 C ALA A 54 0.190 -6.363 -3.161 1.00 0.00 C ATOM 820 O ALA A 54 -0.525 -7.271 -2.729 1.00 0.00 O ATOM 821 CB ALA A 54 2.425 -5.911 -2.101 1.00 0.00 C ATOM 0 H ALA A 54 2.841 -5.398 -4.528 1.00 0.00 H new ATOM 0 HA ALA A 54 1.915 -7.666 -3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.040 -6.284 -1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.492 -6.122 -2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.263 -4.835 -2.161 1.00 0.00 H new ATOM 827 N VAL A 55 -0.295 -5.165 -3.523 1.00 0.00 N ATOM 828 CA VAL A 55 -1.750 -4.949 -3.442 1.00 0.00 C ATOM 829 C VAL A 55 -2.486 -5.571 -4.638 1.00 0.00 C ATOM 830 O VAL A 55 -3.566 -6.137 -4.463 1.00 0.00 O ATOM 831 CB VAL A 55 -2.138 -3.467 -3.260 1.00 0.00 C ATOM 832 CG1 VAL A 55 -1.470 -2.859 -2.030 1.00 0.00 C ATOM 833 CG2 VAL A 55 -1.839 -2.563 -4.453 1.00 0.00 C ATOM 0 H VAL A 55 0.257 -4.374 -3.855 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.074 -5.465 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.221 -3.504 -3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.766 -1.815 -1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.779 -3.407 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.387 -2.920 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.149 -1.543 -4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.769 -2.579 -4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.385 -2.920 -5.326 1.00 0.00 H new ATOM 843 N GLU A 56 -1.896 -5.521 -5.833 1.00 0.00 N ATOM 844 CA GLU A 56 -2.488 -6.033 -7.061 1.00 0.00 C ATOM 845 C GLU A 56 -2.833 -7.513 -6.990 1.00 0.00 C ATOM 846 O GLU A 56 -3.883 -7.902 -7.501 1.00 0.00 O ATOM 847 CB GLU A 56 -1.578 -5.697 -8.245 1.00 0.00 C ATOM 848 CG GLU A 56 -2.206 -6.080 -9.585 1.00 0.00 C ATOM 849 CD GLU A 56 -1.536 -5.361 -10.752 1.00 0.00 C ATOM 850 OE1 GLU A 56 -1.523 -4.110 -10.772 1.00 0.00 O ATOM 851 OE2 GLU A 56 -1.110 -6.036 -11.720 1.00 0.00 O ATOM 0 H GLU A 56 -0.972 -5.113 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.447 -5.535 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.359 -4.629 -8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.628 -6.218 -8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.127 -7.158 -9.729 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.269 -5.838 -9.571 1.00 0.00 H new ATOM 858 N GLU A 57 -2.021 -8.334 -6.315 1.00 0.00 N ATOM 859 CA GLU A 57 -2.327 -9.757 -6.225 1.00 0.00 C ATOM 860 C GLU A 57 -3.651 -10.021 -5.497 1.00 0.00 C ATOM 861 O GLU A 57 -4.155 -11.138 -5.606 1.00 0.00 O ATOM 862 CB GLU A 57 -1.165 -10.561 -5.606 1.00 0.00 C ATOM 863 CG GLU A 57 -0.091 -10.855 -6.664 1.00 0.00 C ATOM 864 CD GLU A 57 0.793 -12.045 -6.298 1.00 0.00 C ATOM 865 OE1 GLU A 57 0.433 -13.193 -6.655 1.00 0.00 O ATOM 866 OE2 GLU A 57 1.892 -11.844 -5.728 1.00 0.00 O ATOM 0 H GLU A 57 -1.169 -8.043 -5.836 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.452 -10.112 -7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.727 -10.001 -4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.542 -11.496 -5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.575 -11.049 -7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.534 -9.972 -6.796 1.00 0.00 H new ATOM 873 N GLU A 58 -4.221 -9.054 -4.771 1.00 0.00 N ATOM 874 CA GLU A 58 -5.486 -9.197 -4.049 1.00 0.00 C ATOM 875 C GLU A 58 -6.622 -8.426 -4.731 1.00 0.00 C ATOM 876 O GLU A 58 -7.711 -8.327 -4.165 1.00 0.00 O ATOM 877 CB GLU A 58 -5.300 -8.892 -2.552 1.00 0.00 C ATOM 878 CG GLU A 58 -4.598 -10.097 -1.918 1.00 0.00 C ATOM 879 CD GLU A 58 -4.256 -9.919 -0.447 1.00 0.00 C ATOM 880 OE1 GLU A 58 -3.131 -9.469 -0.142 1.00 0.00 O ATOM 881 OE2 GLU A 58 -5.014 -10.401 0.429 1.00 0.00 O ATOM 0 H GLU A 58 -3.804 -8.129 -4.668 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.804 -10.239 -4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.706 -7.988 -2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.264 -8.715 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.237 -10.974 -2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.681 -10.300 -2.470 1.00 0.00 H new ATOM 888 N GLY A 59 -6.401 -7.892 -5.935 1.00 0.00 N ATOM 889 CA GLY A 59 -7.418 -7.180 -6.693 1.00 0.00 C ATOM 890 C GLY A 59 -7.580 -5.703 -6.349 1.00 0.00 C ATOM 891 O GLY A 59 -8.714 -5.209 -6.321 1.00 0.00 O ATOM 0 H GLY A 59 -5.500 -7.946 -6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.181 -7.264 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.375 -7.678 -6.540 1.00 0.00 H new ATOM 895 N TYR A 60 -6.493 -4.985 -6.080 1.00 0.00 N ATOM 896 CA TYR A 60 -6.499 -3.554 -5.768 1.00 0.00 C ATOM 897 C TYR A 60 -5.555 -2.870 -6.764 1.00 0.00 C ATOM 898 O TYR A 60 -4.649 -3.521 -7.291 1.00 0.00 O ATOM 899 CB TYR A 60 -6.031 -3.323 -4.325 1.00 0.00 C ATOM 900 CG TYR A 60 -6.862 -3.989 -3.238 1.00 0.00 C ATOM 901 CD1 TYR A 60 -8.051 -3.388 -2.786 1.00 0.00 C ATOM 902 CD2 TYR A 60 -6.428 -5.192 -2.647 1.00 0.00 C ATOM 903 CE1 TYR A 60 -8.792 -3.973 -1.744 1.00 0.00 C ATOM 904 CE2 TYR A 60 -7.157 -5.779 -1.596 1.00 0.00 C ATOM 905 CZ TYR A 60 -8.338 -5.163 -1.130 1.00 0.00 C ATOM 906 OH TYR A 60 -9.059 -5.719 -0.118 1.00 0.00 O ATOM 0 H TYR A 60 -5.557 -5.391 -6.072 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.504 -3.141 -5.853 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.004 -3.676 -4.237 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.016 -2.250 -4.137 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.397 -2.472 -3.242 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.527 -5.668 -3.004 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.710 -3.512 -1.412 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.813 -6.699 -1.147 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.611 -6.533 0.194 1.00 0.00 H new ATOM 916 N LYS A 61 -5.776 -1.596 -7.089 1.00 0.00 N ATOM 917 CA LYS A 61 -4.920 -0.850 -8.013 1.00 0.00 C ATOM 918 C LYS A 61 -3.953 -0.034 -7.192 1.00 0.00 C ATOM 919 O LYS A 61 -4.314 0.386 -6.092 1.00 0.00 O ATOM 920 CB LYS A 61 -5.727 0.136 -8.874 1.00 0.00 C ATOM 921 CG LYS A 61 -6.167 -0.464 -10.201 1.00 0.00 C ATOM 922 CD LYS A 61 -7.264 -1.521 -10.058 1.00 0.00 C ATOM 923 CE LYS A 61 -7.535 -2.223 -11.388 1.00 0.00 C ATOM 924 NZ LYS A 61 -7.937 -1.256 -12.425 1.00 0.00 N ATOM 0 H LYS A 61 -6.555 -1.051 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.422 -1.565 -8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.606 0.461 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.124 1.024 -9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.525 0.334 -10.851 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.303 -0.912 -10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.968 -2.256 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.180 -1.052 -9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.641 -2.756 -11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.320 -2.968 -11.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.293 -1.768 -13.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.686 -0.638 -12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.116 -0.679 -12.698 1.00 0.00 H new ATOM 938 N ALA A 62 -2.777 0.255 -7.741 1.00 0.00 N ATOM 939 CA ALA A 62 -1.775 1.053 -7.065 1.00 0.00 C ATOM 940 C ALA A 62 -1.121 2.028 -8.027 1.00 0.00 C ATOM 941 O ALA A 62 -1.116 1.817 -9.242 1.00 0.00 O ATOM 942 CB ALA A 62 -0.717 0.161 -6.428 1.00 0.00 C ATOM 0 H ALA A 62 -2.497 -0.061 -8.670 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.274 1.621 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.026 0.780 -5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.189 -0.501 -5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.231 -0.435 -7.200 1.00 0.00 H new ATOM 948 N GLU A 63 -0.518 3.080 -7.472 1.00 0.00 N ATOM 949 CA GLU A 63 0.174 4.098 -8.244 1.00 0.00 C ATOM 950 C GLU A 63 1.254 4.742 -7.379 1.00 0.00 C ATOM 951 O GLU A 63 0.968 5.316 -6.318 1.00 0.00 O ATOM 952 CB GLU A 63 -0.824 5.143 -8.751 1.00 0.00 C ATOM 953 CG GLU A 63 -0.272 6.023 -9.872 1.00 0.00 C ATOM 954 CD GLU A 63 -0.044 5.208 -11.143 1.00 0.00 C ATOM 955 OE1 GLU A 63 -1.053 4.811 -11.773 1.00 0.00 O ATOM 956 OE2 GLU A 63 1.138 4.982 -11.471 1.00 0.00 O ATOM 0 H GLU A 63 -0.499 3.246 -6.466 1.00 0.00 H new ATOM 0 HA GLU A 63 0.650 3.641 -9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.720 4.635 -9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.127 5.778 -7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.968 6.837 -10.077 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.666 6.478 -9.554 1.00 0.00 H new ATOM 963 N VAL A 64 2.507 4.585 -7.797 1.00 0.00 N ATOM 964 CA VAL A 64 3.677 5.135 -7.120 1.00 0.00 C ATOM 965 C VAL A 64 3.807 6.617 -7.500 1.00 0.00 C ATOM 966 O VAL A 64 3.063 7.098 -8.366 1.00 0.00 O ATOM 967 CB VAL A 64 4.913 4.265 -7.428 1.00 0.00 C ATOM 968 CG1 VAL A 64 4.725 2.888 -6.773 1.00 0.00 C ATOM 969 CG2 VAL A 64 5.195 4.075 -8.924 1.00 0.00 C ATOM 0 H VAL A 64 2.742 4.058 -8.638 1.00 0.00 H new ATOM 0 HA VAL A 64 3.577 5.106 -6.035 1.00 0.00 H new ATOM 0 HB VAL A 64 5.774 4.796 -7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.593 2.263 -6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.618 3.009 -5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.830 2.413 -7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.080 3.452 -9.051 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.340 3.592 -9.397 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.366 5.046 -9.388 1.00 0.00 H new ATOM 979 N LEU A 65 4.668 7.369 -6.807 1.00 0.00 N ATOM 980 CA LEU A 65 4.880 8.800 -7.052 1.00 0.00 C ATOM 981 C LEU A 65 5.589 9.027 -8.389 1.00 0.00 C ATOM 982 O LEU A 65 5.765 8.103 -9.184 1.00 0.00 O ATOM 983 CB LEU A 65 5.648 9.448 -5.884 1.00 0.00 C ATOM 984 CG LEU A 65 4.859 9.621 -4.583 1.00 0.00 C ATOM 985 CD1 LEU A 65 5.852 10.060 -3.504 1.00 0.00 C ATOM 986 CD2 LEU A 65 3.746 10.666 -4.734 1.00 0.00 C ATOM 0 H LEU A 65 5.244 6.997 -6.052 1.00 0.00 H new ATOM 0 HA LEU A 65 3.906 9.285 -7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.530 8.843 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.002 10.428 -6.205 1.00 0.00 H new ATOM 0 HG LEU A 65 4.377 8.681 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.326 10.194 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.622 9.297 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.316 11.001 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.207 10.762 -3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.184 11.628 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.055 10.351 -5.516 1.00 0.00 H new ATOM 998 N ALA A 66 5.909 10.285 -8.683 1.00 0.00 N ATOM 999 CA ALA A 66 6.573 10.732 -9.890 1.00 0.00 C ATOM 1000 C ALA A 66 7.510 11.877 -9.542 1.00 0.00 C ATOM 1001 O ALA A 66 7.649 12.220 -8.346 1.00 0.00 O ATOM 1002 CB ALA A 66 5.501 11.186 -10.880 1.00 0.00 C ATOM 0 H ALA A 66 5.698 11.055 -8.048 1.00 0.00 H new ATOM 0 HA ALA A 66 7.160 9.930 -10.338 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.976 11.528 -11.799 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.836 10.352 -11.104 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.925 12.002 -10.444 1.00 0.00 H new TER 1008 ALA A 66