USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 705 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 37 LYS NZ :NH3+ 139:sc=-0.00812 (180deg=-0.755) USER MOD Set 1.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.723 K(o=-0.72,f=-2.3) USER MOD Single : A 4 LYS NZ :NH3+ 176:sc= -0.0229 (180deg=-0.0576) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.775! X(o=-0.78!,f=-0.66) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 27:sc= 0.252 USER MOD Single : A -5 GLY N :NH3+ -119:sc= 0.099 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -2.47! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0892 K(o=-0.089,f=-1.2) USER MOD Single : A 38 SER OG : rot 45:sc= 0.663 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0598 X(o=-0.06,f=0) USER MOD Single : A 49 ASN : amide:sc=-0.00564 X(o=-0.0056,f=-0.42) USER MOD Single : A 57 THR OG1 : rot 90:sc= 1.07 USER MOD Single : A 59 SER OG : rot -37:sc= -0.982! USER MOD Single : A 61 LYS NZ :NH3+ -155:sc= -0.0824 (180deg=-0.545) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -137:sc= -0.909 (180deg=-4.11!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -84:sc= 0.789 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 19:sc= 0.649 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.12 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 28.377 -0.192 -10.102 1.00 0.00 N ATOM 2 CA GLY A -5 27.206 0.508 -9.609 1.00 0.00 C ATOM 3 C GLY A -5 26.909 0.190 -8.157 1.00 0.00 C ATOM 4 O GLY A -5 27.590 -0.632 -7.542 1.00 0.00 O ATOM 0 H1 GLY A -5 29.094 0.499 -10.401 1.00 0.00 H new ATOM 0 H2 GLY A -5 28.767 -0.791 -9.347 1.00 0.00 H new ATOM 0 H3 GLY A -5 28.110 -0.787 -10.913 1.00 0.00 H new ATOM 0 HA2 GLY A -5 27.355 1.582 -9.719 1.00 0.00 H new ATOM 0 HA3 GLY A -5 26.343 0.242 -10.220 1.00 0.00 H new ATOM 8 N SER A -4 25.891 0.844 -7.606 1.00 0.00 N ATOM 9 CA SER A -4 25.509 0.630 -6.215 1.00 0.00 C ATOM 10 C SER A -4 24.362 -0.371 -6.113 1.00 0.00 C ATOM 11 O SER A -4 23.332 -0.220 -6.769 1.00 0.00 O ATOM 12 CB SER A -4 25.103 1.955 -5.567 1.00 0.00 C ATOM 13 OG SER A -4 23.906 2.456 -6.137 1.00 0.00 O ATOM 0 H SER A -4 25.316 1.526 -8.101 1.00 0.00 H new ATOM 0 HA SER A -4 26.371 0.223 -5.686 1.00 0.00 H new ATOM 0 HB2 SER A -4 24.967 1.812 -4.495 1.00 0.00 H new ATOM 0 HB3 SER A -4 25.903 2.685 -5.693 1.00 0.00 H new ATOM 0 HG SER A -4 23.376 1.712 -6.492 1.00 0.00 H new ATOM 19 N SER A -3 24.550 -1.394 -5.286 1.00 0.00 N ATOM 20 CA SER A -3 23.534 -2.424 -5.101 1.00 0.00 C ATOM 21 C SER A -3 22.616 -2.076 -3.932 1.00 0.00 C ATOM 22 O SER A -3 23.025 -1.408 -2.984 1.00 0.00 O ATOM 23 CB SER A -3 24.193 -3.783 -4.859 1.00 0.00 C ATOM 24 OG SER A -3 24.576 -4.387 -6.083 1.00 0.00 O ATOM 0 H SER A -3 25.396 -1.532 -4.733 1.00 0.00 H new ATOM 0 HA SER A -3 22.934 -2.476 -6.010 1.00 0.00 H new ATOM 0 HB2 SER A -3 25.068 -3.658 -4.221 1.00 0.00 H new ATOM 0 HB3 SER A -3 23.502 -4.437 -4.327 1.00 0.00 H new ATOM 0 HG SER A -3 24.996 -5.254 -5.903 1.00 0.00 H new ATOM 30 N GLY A -2 21.371 -2.538 -4.007 1.00 0.00 N ATOM 31 CA GLY A -2 20.414 -2.267 -2.951 1.00 0.00 C ATOM 32 C GLY A -2 20.315 -0.790 -2.624 1.00 0.00 C ATOM 33 O GLY A -2 20.527 -0.384 -1.482 1.00 0.00 O ATOM 0 H GLY A -2 21.009 -3.095 -4.781 1.00 0.00 H new ATOM 0 HA2 GLY A -2 19.433 -2.636 -3.250 1.00 0.00 H new ATOM 0 HA3 GLY A -2 20.702 -2.816 -2.054 1.00 0.00 H new ATOM 37 N SER A -1 19.992 0.017 -3.630 1.00 0.00 N ATOM 38 CA SER A -1 19.870 1.458 -3.445 1.00 0.00 C ATOM 39 C SER A -1 19.059 1.778 -2.193 1.00 0.00 C ATOM 40 O SER A -1 18.082 1.097 -1.881 1.00 0.00 O ATOM 41 CB SER A -1 19.212 2.097 -4.670 1.00 0.00 C ATOM 42 OG SER A -1 17.866 1.673 -4.805 1.00 0.00 O ATOM 0 H SER A -1 19.810 -0.303 -4.581 1.00 0.00 H new ATOM 0 HA SER A -1 20.872 1.870 -3.323 1.00 0.00 H new ATOM 0 HB2 SER A -1 19.247 3.183 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A -1 19.772 1.832 -5.567 1.00 0.00 H new ATOM 0 HG SER A -1 17.467 2.096 -5.594 1.00 0.00 H new ATOM 48 N SER A 0 19.472 2.821 -1.478 1.00 0.00 N ATOM 49 CA SER A 0 18.787 3.230 -0.258 1.00 0.00 C ATOM 50 C SER A 0 17.723 4.281 -0.558 1.00 0.00 C ATOM 51 O SER A 0 17.698 4.864 -1.641 1.00 0.00 O ATOM 52 CB SER A 0 19.792 3.782 0.756 1.00 0.00 C ATOM 53 OG SER A 0 20.367 2.738 1.522 1.00 0.00 O ATOM 0 H SER A 0 20.277 3.397 -1.723 1.00 0.00 H new ATOM 0 HA SER A 0 18.298 2.353 0.165 1.00 0.00 H new ATOM 0 HB2 SER A 0 20.577 4.329 0.234 1.00 0.00 H new ATOM 0 HB3 SER A 0 19.294 4.491 1.417 1.00 0.00 H new ATOM 0 HG SER A 0 21.007 3.115 2.161 1.00 0.00 H new ATOM 59 N GLY A 1 16.842 4.516 0.409 1.00 0.00 N ATOM 60 CA GLY A 1 15.786 5.496 0.230 1.00 0.00 C ATOM 61 C GLY A 1 14.510 5.112 0.951 1.00 0.00 C ATOM 62 O GLY A 1 14.547 4.406 1.960 1.00 0.00 O ATOM 0 H GLY A 1 16.840 4.045 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.128 6.465 0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.578 5.611 -0.834 1.00 0.00 H new ATOM 66 N MET A 2 13.377 5.578 0.435 1.00 0.00 N ATOM 67 CA MET A 2 12.083 5.278 1.037 1.00 0.00 C ATOM 68 C MET A 2 11.030 5.019 -0.036 1.00 0.00 C ATOM 69 O MET A 2 11.038 5.652 -1.091 1.00 0.00 O ATOM 70 CB MET A 2 11.637 6.431 1.939 1.00 0.00 C ATOM 71 CG MET A 2 11.251 7.686 1.172 1.00 0.00 C ATOM 72 SD MET A 2 10.900 9.082 2.258 1.00 0.00 S ATOM 73 CE MET A 2 11.500 10.444 1.262 1.00 0.00 C ATOM 0 H MET A 2 13.329 6.164 -0.398 1.00 0.00 H new ATOM 0 HA MET A 2 12.191 4.376 1.639 1.00 0.00 H new ATOM 0 HB2 MET A 2 10.787 6.105 2.538 1.00 0.00 H new ATOM 0 HB3 MET A 2 12.443 6.672 2.633 1.00 0.00 H new ATOM 0 HG2 MET A 2 12.059 7.954 0.491 1.00 0.00 H new ATOM 0 HG3 MET A 2 10.374 7.478 0.559 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.352 11.381 1.800 1.00 0.00 H new ATOM 0 HE2 MET A 2 12.562 10.306 1.059 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.952 10.476 0.321 1.00 0.00 H new ATOM 83 N ASN A 3 10.127 4.085 0.241 1.00 0.00 N ATOM 84 CA ASN A 3 9.068 3.743 -0.702 1.00 0.00 C ATOM 85 C ASN A 3 7.725 3.617 0.010 1.00 0.00 C ATOM 86 O ASN A 3 7.629 3.822 1.220 1.00 0.00 O ATOM 87 CB ASN A 3 9.402 2.434 -1.422 1.00 0.00 C ATOM 88 CG ASN A 3 10.837 2.393 -1.911 1.00 0.00 C ATOM 89 OD1 ASN A 3 11.775 2.400 -1.113 1.00 0.00 O ATOM 90 ND2 ASN A 3 11.013 2.349 -3.226 1.00 0.00 N ATOM 0 H ASN A 3 10.107 3.551 1.110 1.00 0.00 H new ATOM 0 HA ASN A 3 8.995 4.546 -1.436 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.227 1.596 -0.747 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.728 2.307 -2.269 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.956 2.319 -3.614 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.205 2.345 -3.849 1.00 0.00 H new ATOM 97 N LYS A 4 6.689 3.276 -0.749 1.00 0.00 N ATOM 98 CA LYS A 4 5.350 3.119 -0.191 1.00 0.00 C ATOM 99 C LYS A 4 4.615 1.962 -0.860 1.00 0.00 C ATOM 100 O LYS A 4 5.032 1.472 -1.910 1.00 0.00 O ATOM 101 CB LYS A 4 4.550 4.413 -0.362 1.00 0.00 C ATOM 102 CG LYS A 4 5.044 5.553 0.512 1.00 0.00 C ATOM 103 CD LYS A 4 3.995 6.645 0.648 1.00 0.00 C ATOM 104 CE LYS A 4 3.941 7.522 -0.593 1.00 0.00 C ATOM 105 NZ LYS A 4 2.943 8.619 -0.453 1.00 0.00 N ATOM 0 H LYS A 4 6.750 3.103 -1.752 1.00 0.00 H new ATOM 0 HA LYS A 4 5.449 2.898 0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.593 4.722 -1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.503 4.216 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.303 5.170 1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.954 5.973 0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.018 6.193 0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.219 7.260 1.520 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.926 7.949 -0.779 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.690 6.910 -1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.984 9.234 -1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.990 8.212 -0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.158 9.177 0.398 1.00 0.00 H new ATOM 119 N LEU A 5 3.518 1.531 -0.246 1.00 0.00 N ATOM 120 CA LEU A 5 2.723 0.432 -0.783 1.00 0.00 C ATOM 121 C LEU A 5 1.382 0.936 -1.307 1.00 0.00 C ATOM 122 O LEU A 5 0.712 1.740 -0.657 1.00 0.00 O ATOM 123 CB LEU A 5 2.497 -0.632 0.292 1.00 0.00 C ATOM 124 CG LEU A 5 3.735 -1.071 1.074 1.00 0.00 C ATOM 125 CD1 LEU A 5 3.335 -1.889 2.292 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.676 -1.865 0.180 1.00 0.00 C ATOM 0 H LEU A 5 3.159 1.926 0.623 1.00 0.00 H new ATOM 0 HA LEU A 5 3.273 -0.011 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.760 -0.253 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.061 -1.511 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 5 4.259 -0.180 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.229 -2.193 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.701 -1.287 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.787 -2.775 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.552 -2.169 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.162 -2.750 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.989 -1.245 -0.660 1.00 0.00 H new ATOM 138 N TYR A 6 0.995 0.457 -2.483 1.00 0.00 N ATOM 139 CA TYR A 6 -0.267 0.858 -3.095 1.00 0.00 C ATOM 140 C TYR A 6 -1.378 -0.128 -2.749 1.00 0.00 C ATOM 141 O TYR A 6 -1.225 -1.338 -2.922 1.00 0.00 O ATOM 142 CB TYR A 6 -0.113 0.959 -4.613 1.00 0.00 C ATOM 143 CG TYR A 6 -1.391 0.678 -5.371 1.00 0.00 C ATOM 144 CD1 TYR A 6 -1.832 -0.625 -5.569 1.00 0.00 C ATOM 145 CD2 TYR A 6 -2.154 1.715 -5.892 1.00 0.00 C ATOM 146 CE1 TYR A 6 -2.999 -0.887 -6.261 1.00 0.00 C ATOM 147 CE2 TYR A 6 -3.323 1.463 -6.585 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.740 0.161 -6.767 1.00 0.00 C ATOM 149 OH TYR A 6 -4.903 -0.095 -7.457 1.00 0.00 O ATOM 0 H TYR A 6 1.537 -0.210 -3.033 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.539 1.836 -2.699 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.239 1.959 -4.868 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.655 0.258 -4.939 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.253 -1.447 -5.175 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.828 2.735 -5.753 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.329 -1.905 -6.405 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.906 2.281 -6.982 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.305 0.751 -7.745 1.00 0.00 H new ATOM 159 N ILE A 7 -2.496 0.397 -2.260 1.00 0.00 N ATOM 160 CA ILE A 7 -3.633 -0.436 -1.892 1.00 0.00 C ATOM 161 C ILE A 7 -4.775 -0.281 -2.892 1.00 0.00 C ATOM 162 O ILE A 7 -5.256 0.825 -3.134 1.00 0.00 O ATOM 163 CB ILE A 7 -4.151 -0.092 -0.483 1.00 0.00 C ATOM 164 CG1 ILE A 7 -2.981 0.051 0.493 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.123 -1.158 0.000 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.395 0.528 1.867 1.00 0.00 C ATOM 0 H ILE A 7 -2.638 1.396 -2.110 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.283 -1.468 -1.900 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.680 0.860 -0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.478 -0.911 0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.256 0.751 0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.480 -0.900 0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.969 -1.216 -0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.617 -2.123 0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.515 0.606 2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.872 1.505 1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.097 -0.183 2.303 1.00 0.00 H new ATOM 178 N GLY A 8 -5.206 -1.399 -3.469 1.00 0.00 N ATOM 179 CA GLY A 8 -6.288 -1.367 -4.434 1.00 0.00 C ATOM 180 C GLY A 8 -7.531 -2.078 -3.936 1.00 0.00 C ATOM 181 O GLY A 8 -7.501 -2.743 -2.902 1.00 0.00 O ATOM 0 H GLY A 8 -4.824 -2.327 -3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.534 -0.331 -4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.956 -1.830 -5.363 1.00 0.00 H new ATOM 185 N ASN A 9 -8.627 -1.938 -4.675 1.00 0.00 N ATOM 186 CA ASN A 9 -9.886 -2.571 -4.302 1.00 0.00 C ATOM 187 C ASN A 9 -10.430 -1.978 -3.005 1.00 0.00 C ATOM 188 O ASN A 9 -10.929 -2.700 -2.140 1.00 0.00 O ATOM 189 CB ASN A 9 -9.694 -4.081 -4.143 1.00 0.00 C ATOM 190 CG ASN A 9 -10.956 -4.860 -4.462 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.192 -5.237 -5.611 1.00 0.00 O ATOM 192 ND2 ASN A 9 -11.772 -5.106 -3.444 1.00 0.00 N ATOM 0 H ASN A 9 -8.668 -1.392 -5.535 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.607 -2.384 -5.097 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.889 -4.413 -4.799 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.384 -4.300 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.635 -5.627 -3.597 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.535 -4.774 -2.509 1.00 0.00 H new ATOM 199 N LEU A 10 -10.331 -0.660 -2.877 1.00 0.00 N ATOM 200 CA LEU A 10 -10.814 0.032 -1.686 1.00 0.00 C ATOM 201 C LEU A 10 -12.124 0.758 -1.972 1.00 0.00 C ATOM 202 O LEU A 10 -12.286 1.379 -3.023 1.00 0.00 O ATOM 203 CB LEU A 10 -9.763 1.027 -1.190 1.00 0.00 C ATOM 204 CG LEU A 10 -8.518 0.421 -0.542 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.521 1.512 -0.182 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.897 -0.386 0.691 1.00 0.00 C ATOM 0 H LEU A 10 -9.921 -0.048 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.995 -0.713 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.447 1.641 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.235 1.694 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.048 -0.251 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.641 1.063 0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.226 2.047 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.981 2.209 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.998 -0.810 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.391 0.264 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.574 -1.191 0.405 1.00 0.00 H new ATOM 218 N SER A 11 -13.058 0.677 -1.029 1.00 0.00 N ATOM 219 CA SER A 11 -14.354 1.325 -1.180 1.00 0.00 C ATOM 220 C SER A 11 -14.260 2.812 -0.853 1.00 0.00 C ATOM 221 O SER A 11 -13.400 3.254 -0.091 1.00 0.00 O ATOM 222 CB SER A 11 -15.390 0.658 -0.274 1.00 0.00 C ATOM 223 OG SER A 11 -15.339 1.190 1.038 1.00 0.00 O ATOM 0 H SER A 11 -12.940 0.169 -0.153 1.00 0.00 H new ATOM 0 HA SER A 11 -14.666 1.218 -2.219 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.387 0.802 -0.690 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.211 -0.417 -0.241 1.00 0.00 H new ATOM 0 HG SER A 11 -16.012 0.748 1.597 1.00 0.00 H new ATOM 229 N PRO A 12 -15.166 3.606 -1.445 1.00 0.00 N ATOM 230 CA PRO A 12 -15.207 5.056 -1.231 1.00 0.00 C ATOM 231 C PRO A 12 -15.661 5.423 0.177 1.00 0.00 C ATOM 232 O PRO A 12 -15.485 6.557 0.620 1.00 0.00 O ATOM 233 CB PRO A 12 -16.229 5.537 -2.265 1.00 0.00 C ATOM 234 CG PRO A 12 -17.104 4.356 -2.510 1.00 0.00 C ATOM 235 CD PRO A 12 -16.220 3.149 -2.365 1.00 0.00 C ATOM 0 HA PRO A 12 -14.223 5.512 -1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -16.803 6.384 -1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.740 5.865 -3.182 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -17.927 4.325 -1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.547 4.398 -3.505 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -16.766 2.298 -1.959 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.808 2.835 -3.324 1.00 0.00 H new ATOM 243 N ALA A 13 -16.244 4.455 0.877 1.00 0.00 N ATOM 244 CA ALA A 13 -16.720 4.676 2.236 1.00 0.00 C ATOM 245 C ALA A 13 -15.573 4.607 3.238 1.00 0.00 C ATOM 246 O ALA A 13 -15.687 5.092 4.363 1.00 0.00 O ATOM 247 CB ALA A 13 -17.796 3.659 2.591 1.00 0.00 C ATOM 0 H ALA A 13 -16.398 3.510 0.525 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.151 5.676 2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.142 3.836 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.633 3.759 1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.384 2.653 2.518 1.00 0.00 H new ATOM 253 N VAL A 14 -14.466 3.999 2.822 1.00 0.00 N ATOM 254 CA VAL A 14 -13.296 3.866 3.683 1.00 0.00 C ATOM 255 C VAL A 14 -12.689 5.228 3.998 1.00 0.00 C ATOM 256 O VAL A 14 -12.719 6.141 3.172 1.00 0.00 O ATOM 257 CB VAL A 14 -12.221 2.974 3.035 1.00 0.00 C ATOM 258 CG1 VAL A 14 -11.040 2.792 3.977 1.00 0.00 C ATOM 259 CG2 VAL A 14 -12.812 1.629 2.641 1.00 0.00 C ATOM 0 H VAL A 14 -14.355 3.591 1.894 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.635 3.400 4.608 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.862 3.466 2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.290 2.159 3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.603 3.764 4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.380 2.322 4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.038 1.011 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.200 1.128 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.622 1.782 1.928 1.00 0.00 H new ATOM 269 N THR A 15 -12.137 5.359 5.201 1.00 0.00 N ATOM 270 CA THR A 15 -11.522 6.610 5.627 1.00 0.00 C ATOM 271 C THR A 15 -10.096 6.384 6.116 1.00 0.00 C ATOM 272 O THR A 15 -9.724 5.267 6.477 1.00 0.00 O ATOM 273 CB THR A 15 -12.337 7.284 6.748 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.467 6.393 7.861 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.717 7.684 6.248 1.00 0.00 C ATOM 0 H THR A 15 -12.104 4.614 5.897 1.00 0.00 H new ATOM 0 HA THR A 15 -11.504 7.266 4.756 1.00 0.00 H new ATOM 0 HB THR A 15 -11.808 8.183 7.062 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.985 6.829 8.570 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.274 8.158 7.057 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.615 8.384 5.419 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.253 6.797 5.910 1.00 0.00 H new ATOM 283 N ALA A 16 -9.303 7.450 6.127 1.00 0.00 N ATOM 284 CA ALA A 16 -7.918 7.367 6.576 1.00 0.00 C ATOM 285 C ALA A 16 -7.827 6.746 7.966 1.00 0.00 C ATOM 286 O ALA A 16 -6.923 5.959 8.247 1.00 0.00 O ATOM 287 CB ALA A 16 -7.278 8.747 6.570 1.00 0.00 C ATOM 0 H ALA A 16 -9.595 8.381 5.830 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.376 6.724 5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.244 8.670 6.907 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.300 9.154 5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.830 9.407 7.239 1.00 0.00 H new ATOM 293 N ASP A 17 -8.770 7.104 8.831 1.00 0.00 N ATOM 294 CA ASP A 17 -8.797 6.583 10.192 1.00 0.00 C ATOM 295 C ASP A 17 -9.004 5.071 10.191 1.00 0.00 C ATOM 296 O ASP A 17 -8.378 4.347 10.965 1.00 0.00 O ATOM 297 CB ASP A 17 -9.903 7.262 11.001 1.00 0.00 C ATOM 298 CG ASP A 17 -9.727 7.074 12.495 1.00 0.00 C ATOM 299 OD1 ASP A 17 -9.215 6.011 12.903 1.00 0.00 O ATOM 300 OD2 ASP A 17 -10.103 7.990 13.256 1.00 0.00 O ATOM 0 H ASP A 17 -9.526 7.753 8.613 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.835 6.800 10.656 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.915 8.327 10.771 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.870 6.859 10.699 1.00 0.00 H new ATOM 305 N ASP A 18 -9.889 4.602 9.318 1.00 0.00 N ATOM 306 CA ASP A 18 -10.181 3.177 9.215 1.00 0.00 C ATOM 307 C ASP A 18 -8.943 2.399 8.778 1.00 0.00 C ATOM 308 O ASP A 18 -8.652 1.326 9.308 1.00 0.00 O ATOM 309 CB ASP A 18 -11.323 2.938 8.227 1.00 0.00 C ATOM 310 CG ASP A 18 -12.686 3.045 8.881 1.00 0.00 C ATOM 311 OD1 ASP A 18 -12.829 3.845 9.830 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.611 2.329 8.446 1.00 0.00 O ATOM 0 H ASP A 18 -10.417 5.188 8.671 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.483 2.822 10.200 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.255 3.662 7.415 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.213 1.949 7.782 1.00 0.00 H new ATOM 317 N LEU A 19 -8.219 2.946 7.807 1.00 0.00 N ATOM 318 CA LEU A 19 -7.012 2.304 7.298 1.00 0.00 C ATOM 319 C LEU A 19 -5.980 2.126 8.407 1.00 0.00 C ATOM 320 O LEU A 19 -5.407 1.049 8.568 1.00 0.00 O ATOM 321 CB LEU A 19 -6.415 3.128 6.156 1.00 0.00 C ATOM 322 CG LEU A 19 -6.869 2.748 4.746 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.096 3.543 3.705 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.695 1.253 4.514 1.00 0.00 C ATOM 0 H LEU A 19 -8.447 3.832 7.357 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.286 1.318 6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.660 4.177 6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.329 3.043 6.202 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.927 2.990 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.432 3.260 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.270 4.608 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.031 3.332 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.023 1.001 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.645 0.986 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.293 0.700 5.239 1.00 0.00 H new ATOM 336 N ARG A 20 -5.748 3.191 9.168 1.00 0.00 N ATOM 337 CA ARG A 20 -4.785 3.154 10.262 1.00 0.00 C ATOM 338 C ARG A 20 -5.271 2.237 11.382 1.00 0.00 C ATOM 339 O ARG A 20 -4.483 1.508 11.984 1.00 0.00 O ATOM 340 CB ARG A 20 -4.547 4.562 10.809 1.00 0.00 C ATOM 341 CG ARG A 20 -5.824 5.285 11.206 1.00 0.00 C ATOM 342 CD ARG A 20 -5.538 6.704 11.674 1.00 0.00 C ATOM 343 NE ARG A 20 -5.161 7.580 10.568 1.00 0.00 N ATOM 344 CZ ARG A 20 -4.843 8.860 10.720 1.00 0.00 C ATOM 345 NH1 ARG A 20 -4.855 9.411 11.926 1.00 0.00 N ATOM 346 NH2 ARG A 20 -4.511 9.593 9.664 1.00 0.00 N ATOM 0 H ARG A 20 -6.214 4.090 9.047 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.846 2.760 9.873 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.890 4.499 11.677 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.025 5.152 10.056 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.507 5.311 10.357 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.324 4.732 12.001 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.421 7.107 12.171 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.737 6.687 12.413 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.141 7.187 9.627 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.109 8.851 12.740 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.610 10.395 12.040 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.500 9.173 8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.267 10.576 9.782 1.00 0.00 H new ATOM 360 N GLN A 21 -6.571 2.281 11.653 1.00 0.00 N ATOM 361 CA GLN A 21 -7.160 1.455 12.701 1.00 0.00 C ATOM 362 C GLN A 21 -7.153 -0.017 12.302 1.00 0.00 C ATOM 363 O GLN A 21 -7.051 -0.901 13.154 1.00 0.00 O ATOM 364 CB GLN A 21 -8.590 1.909 12.994 1.00 0.00 C ATOM 365 CG GLN A 21 -9.487 0.798 13.515 1.00 0.00 C ATOM 366 CD GLN A 21 -10.612 1.317 14.389 1.00 0.00 C ATOM 367 OE1 GLN A 21 -11.784 1.252 14.017 1.00 0.00 O ATOM 368 NE2 GLN A 21 -10.260 1.838 15.560 1.00 0.00 N ATOM 0 H GLN A 21 -7.236 2.879 11.162 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.558 1.571 13.602 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -8.563 2.716 13.726 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.026 2.319 12.083 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.910 0.252 12.672 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.887 0.089 14.085 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.276 1.872 15.828 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.973 2.204 16.190 1.00 0.00 H new ATOM 377 N LEU A 22 -7.265 -0.274 11.003 1.00 0.00 N ATOM 378 CA LEU A 22 -7.272 -1.639 10.491 1.00 0.00 C ATOM 379 C LEU A 22 -5.894 -2.280 10.628 1.00 0.00 C ATOM 380 O LEU A 22 -5.771 -3.423 11.067 1.00 0.00 O ATOM 381 CB LEU A 22 -7.709 -1.652 9.025 1.00 0.00 C ATOM 382 CG LEU A 22 -7.719 -3.020 8.340 1.00 0.00 C ATOM 383 CD1 LEU A 22 -8.920 -3.836 8.795 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.724 -2.858 6.827 1.00 0.00 C ATOM 0 H LEU A 22 -7.352 0.446 10.285 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.982 -2.218 11.081 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.711 -1.229 8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.048 -0.992 8.464 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.813 -3.555 8.625 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.911 -4.806 8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.873 -3.981 9.874 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.838 -3.306 8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.731 -3.841 6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.612 -2.304 6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.832 -2.313 6.516 1.00 0.00 H new ATOM 396 N PHE A 23 -4.861 -1.535 10.252 1.00 0.00 N ATOM 397 CA PHE A 23 -3.492 -2.029 10.334 1.00 0.00 C ATOM 398 C PHE A 23 -3.075 -2.237 11.787 1.00 0.00 C ATOM 399 O PHE A 23 -2.369 -3.191 12.111 1.00 0.00 O ATOM 400 CB PHE A 23 -2.532 -1.053 9.651 1.00 0.00 C ATOM 401 CG PHE A 23 -2.370 -1.302 8.179 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.410 -1.049 7.301 1.00 0.00 C ATOM 403 CD2 PHE A 23 -1.175 -1.792 7.674 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.264 -1.277 5.945 1.00 0.00 C ATOM 405 CE2 PHE A 23 -1.024 -2.021 6.320 1.00 0.00 C ATOM 406 CZ PHE A 23 -2.070 -1.766 5.455 1.00 0.00 C ATOM 0 H PHE A 23 -4.946 -0.586 9.887 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.448 -2.989 9.820 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.893 -0.036 9.802 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.556 -1.119 10.132 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.347 -0.669 7.680 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.354 -1.997 8.346 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.083 -1.073 5.271 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.088 -2.400 5.938 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.954 -1.949 4.397 1.00 0.00 H new ATOM 416 N GLY A 24 -3.518 -1.335 12.658 1.00 0.00 N ATOM 417 CA GLY A 24 -3.180 -1.436 14.066 1.00 0.00 C ATOM 418 C GLY A 24 -3.839 -2.626 14.737 1.00 0.00 C ATOM 419 O GLY A 24 -3.229 -3.292 15.573 1.00 0.00 O ATOM 0 H GLY A 24 -4.104 -0.537 12.414 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.098 -1.516 14.172 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.483 -0.521 14.576 1.00 0.00 H new ATOM 423 N ASP A 25 -5.088 -2.892 14.370 1.00 0.00 N ATOM 424 CA ASP A 25 -5.830 -4.010 14.942 1.00 0.00 C ATOM 425 C ASP A 25 -5.219 -5.342 14.519 1.00 0.00 C ATOM 426 O ASP A 25 -5.386 -6.356 15.197 1.00 0.00 O ATOM 427 CB ASP A 25 -7.296 -3.948 14.512 1.00 0.00 C ATOM 428 CG ASP A 25 -8.216 -4.654 15.490 1.00 0.00 C ATOM 429 OD1 ASP A 25 -8.472 -4.090 16.575 1.00 0.00 O ATOM 430 OD2 ASP A 25 -8.679 -5.769 15.171 1.00 0.00 O ATOM 0 H ASP A 25 -5.607 -2.349 13.680 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.773 -3.934 16.028 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.601 -2.906 14.419 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.402 -4.401 13.526 1.00 0.00 H new ATOM 435 N ARG A 26 -4.510 -5.332 13.395 1.00 0.00 N ATOM 436 CA ARG A 26 -3.876 -6.540 12.880 1.00 0.00 C ATOM 437 C ARG A 26 -2.451 -6.674 13.409 1.00 0.00 C ATOM 438 O ARG A 26 -1.631 -7.396 12.842 1.00 0.00 O ATOM 439 CB ARG A 26 -3.864 -6.523 11.350 1.00 0.00 C ATOM 440 CG ARG A 26 -5.106 -7.136 10.724 1.00 0.00 C ATOM 441 CD ARG A 26 -4.990 -8.649 10.623 1.00 0.00 C ATOM 442 NE ARG A 26 -5.392 -9.312 11.861 1.00 0.00 N ATOM 443 CZ ARG A 26 -5.020 -10.545 12.186 1.00 0.00 C ATOM 444 NH1 ARG A 26 -4.243 -11.245 11.372 1.00 0.00 N ATOM 445 NH2 ARG A 26 -5.427 -11.081 13.331 1.00 0.00 N ATOM 0 H ARG A 26 -4.360 -4.501 12.823 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.455 -7.398 13.222 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.765 -5.493 11.007 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.985 -7.062 10.996 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.981 -6.876 11.320 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.260 -6.715 9.731 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.612 -9.006 9.802 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.961 -8.919 10.385 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.990 -8.801 12.510 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.928 -10.837 10.492 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.960 -12.191 11.626 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.025 -10.546 13.960 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.142 -12.028 13.581 1.00 0.00 H new ATOM 459 N LYS A 27 -2.163 -5.972 14.500 1.00 0.00 N ATOM 460 CA LYS A 27 -0.838 -6.012 15.108 1.00 0.00 C ATOM 461 C LYS A 27 0.229 -5.558 14.118 1.00 0.00 C ATOM 462 O LYS A 27 1.391 -5.954 14.216 1.00 0.00 O ATOM 463 CB LYS A 27 -0.523 -7.426 15.600 1.00 0.00 C ATOM 464 CG LYS A 27 -0.957 -7.681 17.034 1.00 0.00 C ATOM 465 CD LYS A 27 -2.455 -7.921 17.129 1.00 0.00 C ATOM 466 CE LYS A 27 -2.854 -8.416 18.510 1.00 0.00 C ATOM 467 NZ LYS A 27 -2.704 -7.356 19.545 1.00 0.00 N ATOM 0 H LYS A 27 -2.830 -5.368 14.981 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.835 -5.329 15.957 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.014 -8.147 14.947 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.550 -7.600 15.517 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.423 -8.546 17.428 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.684 -6.828 17.655 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.987 -6.997 16.905 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.756 -8.652 16.378 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.889 -8.758 18.488 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.240 -9.275 18.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.986 -7.734 20.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.712 -7.047 19.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.309 -6.546 19.302 1.00 0.00 H new ATOM 481 N LEU A 28 -0.172 -4.725 13.163 1.00 0.00 N ATOM 482 CA LEU A 28 0.750 -4.215 12.154 1.00 0.00 C ATOM 483 C LEU A 28 0.712 -2.691 12.102 1.00 0.00 C ATOM 484 O LEU A 28 0.131 -2.091 11.199 1.00 0.00 O ATOM 485 CB LEU A 28 0.405 -4.793 10.780 1.00 0.00 C ATOM 486 CG LEU A 28 0.844 -6.236 10.530 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.094 -6.916 9.545 1.00 0.00 C ATOM 488 CD2 LEU A 28 2.277 -6.276 10.020 1.00 0.00 C ATOM 0 H LEU A 28 -1.130 -4.389 13.067 1.00 0.00 H new ATOM 0 HA LEU A 28 1.758 -4.525 12.429 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.675 -4.734 10.644 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.858 -4.159 10.017 1.00 0.00 H new ATOM 0 HG LEU A 28 0.800 -6.778 11.475 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.234 -7.942 9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.106 -6.920 9.950 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.083 -6.374 8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.573 -7.311 9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.347 -5.718 9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.939 -5.828 10.761 1.00 0.00 H new ATOM 500 N PRO A 29 1.349 -2.049 13.093 1.00 0.00 N ATOM 501 CA PRO A 29 1.405 -0.587 13.180 1.00 0.00 C ATOM 502 C PRO A 29 2.278 0.027 12.090 1.00 0.00 C ATOM 503 O PRO A 29 3.212 -0.607 11.599 1.00 0.00 O ATOM 504 CB PRO A 29 2.020 -0.337 14.559 1.00 0.00 C ATOM 505 CG PRO A 29 2.809 -1.567 14.851 1.00 0.00 C ATOM 506 CD PRO A 29 2.064 -2.701 14.202 1.00 0.00 C ATOM 0 HA PRO A 29 0.423 -0.134 13.047 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.655 0.549 14.554 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.249 -0.173 15.312 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.820 -1.486 14.452 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.902 -1.725 15.925 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.743 -3.474 13.843 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.375 -3.180 14.898 1.00 0.00 H new ATOM 514 N LEU A 30 1.966 1.262 11.715 1.00 0.00 N ATOM 515 CA LEU A 30 2.721 1.962 10.681 1.00 0.00 C ATOM 516 C LEU A 30 3.649 3.004 11.298 1.00 0.00 C ATOM 517 O LEU A 30 3.234 3.799 12.139 1.00 0.00 O ATOM 518 CB LEU A 30 1.769 2.633 9.690 1.00 0.00 C ATOM 519 CG LEU A 30 0.482 1.869 9.374 1.00 0.00 C ATOM 520 CD1 LEU A 30 -0.551 2.797 8.753 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.773 0.695 8.449 1.00 0.00 C ATOM 0 H LEU A 30 1.195 1.800 12.111 1.00 0.00 H new ATOM 0 HA LEU A 30 3.328 1.229 10.150 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.499 3.613 10.083 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.307 2.801 8.757 1.00 0.00 H new ATOM 0 HG LEU A 30 0.075 1.479 10.307 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.460 2.236 8.535 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.781 3.604 9.449 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.154 3.217 7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.154 0.162 8.234 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.204 1.063 7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.477 0.018 8.932 1.00 0.00 H new ATOM 533 N ALA A 31 4.908 2.994 10.870 1.00 0.00 N ATOM 534 CA ALA A 31 5.894 3.941 11.377 1.00 0.00 C ATOM 535 C ALA A 31 6.175 5.038 10.357 1.00 0.00 C ATOM 536 O ALA A 31 7.253 5.631 10.349 1.00 0.00 O ATOM 537 CB ALA A 31 7.181 3.217 11.744 1.00 0.00 C ATOM 0 H ALA A 31 5.269 2.341 10.174 1.00 0.00 H new ATOM 0 HA ALA A 31 5.485 4.409 12.273 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.908 3.936 12.121 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.973 2.473 12.514 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.585 2.722 10.861 1.00 0.00 H new ATOM 543 N GLY A 32 5.198 5.305 9.496 1.00 0.00 N ATOM 544 CA GLY A 32 5.360 6.332 8.483 1.00 0.00 C ATOM 545 C GLY A 32 4.109 7.168 8.299 1.00 0.00 C ATOM 546 O GLY A 32 3.444 7.521 9.272 1.00 0.00 O ATOM 0 H GLY A 32 4.296 4.828 9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.190 6.982 8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.623 5.864 7.534 1.00 0.00 H new ATOM 550 N GLN A 33 3.792 7.488 7.049 1.00 0.00 N ATOM 551 CA GLN A 33 2.614 8.292 6.743 1.00 0.00 C ATOM 552 C GLN A 33 1.566 7.463 6.007 1.00 0.00 C ATOM 553 O GLN A 33 1.890 6.469 5.358 1.00 0.00 O ATOM 554 CB GLN A 33 3.005 9.507 5.900 1.00 0.00 C ATOM 555 CG GLN A 33 3.548 9.146 4.526 1.00 0.00 C ATOM 556 CD GLN A 33 4.392 10.250 3.923 1.00 0.00 C ATOM 557 OE1 GLN A 33 4.485 11.347 4.474 1.00 0.00 O ATOM 558 NE2 GLN A 33 5.013 9.966 2.784 1.00 0.00 N ATOM 0 H GLN A 33 4.333 7.204 6.232 1.00 0.00 H new ATOM 0 HA GLN A 33 2.184 8.635 7.684 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.134 10.151 5.779 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.756 10.085 6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.146 8.238 4.603 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.716 8.924 3.858 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.908 9.043 2.362 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.595 10.671 2.331 1.00 0.00 H new ATOM 567 N VAL A 34 0.308 7.879 6.113 1.00 0.00 N ATOM 568 CA VAL A 34 -0.787 7.177 5.457 1.00 0.00 C ATOM 569 C VAL A 34 -1.546 8.101 4.512 1.00 0.00 C ATOM 570 O VAL A 34 -1.841 9.249 4.851 1.00 0.00 O ATOM 571 CB VAL A 34 -1.774 6.590 6.486 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.898 5.845 5.782 1.00 0.00 C ATOM 573 CG2 VAL A 34 -1.046 5.678 7.461 1.00 0.00 C ATOM 0 H VAL A 34 0.023 8.699 6.648 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.342 6.363 4.884 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.214 7.411 7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.585 5.437 6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.436 6.531 5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.480 5.031 5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.757 5.272 8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.577 4.860 6.914 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.281 6.247 7.989 1.00 0.00 H new ATOM 583 N LEU A 35 -1.861 7.595 3.324 1.00 0.00 N ATOM 584 CA LEU A 35 -2.586 8.376 2.329 1.00 0.00 C ATOM 585 C LEU A 35 -3.791 7.602 1.803 1.00 0.00 C ATOM 586 O LEU A 35 -3.697 6.409 1.509 1.00 0.00 O ATOM 587 CB LEU A 35 -1.660 8.748 1.169 1.00 0.00 C ATOM 588 CG LEU A 35 -0.864 10.043 1.336 1.00 0.00 C ATOM 589 CD1 LEU A 35 0.478 9.763 1.994 1.00 0.00 C ATOM 590 CD2 LEU A 35 -0.668 10.726 -0.009 1.00 0.00 C ATOM 0 H LEU A 35 -1.626 6.648 3.027 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.942 9.288 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.957 7.930 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.260 8.828 0.262 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.430 10.714 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.031 10.696 2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.316 9.318 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.051 9.074 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.100 11.646 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.124 10.060 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.640 10.962 -0.442 1.00 0.00 H new ATOM 602 N LEU A 36 -4.922 8.288 1.684 1.00 0.00 N ATOM 603 CA LEU A 36 -6.146 7.667 1.191 1.00 0.00 C ATOM 604 C LEU A 36 -6.605 8.322 -0.107 1.00 0.00 C ATOM 605 O LEU A 36 -6.974 9.497 -0.126 1.00 0.00 O ATOM 606 CB LEU A 36 -7.252 7.765 2.243 1.00 0.00 C ATOM 607 CG LEU A 36 -8.647 7.332 1.794 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.650 5.864 1.397 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.666 7.591 2.895 1.00 0.00 C ATOM 0 H LEU A 36 -5.017 9.275 1.922 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.935 6.616 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.964 7.158 3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.308 8.798 2.587 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.926 7.923 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.652 5.575 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.951 5.708 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.349 5.256 2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.654 7.277 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.390 7.027 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.685 8.655 3.131 1.00 0.00 H new ATOM 621 N LYS A 37 -6.584 7.555 -1.192 1.00 0.00 N ATOM 622 CA LYS A 37 -7.001 8.059 -2.494 1.00 0.00 C ATOM 623 C LYS A 37 -8.314 7.417 -2.931 1.00 0.00 C ATOM 624 O LYS A 37 -8.674 6.336 -2.464 1.00 0.00 O ATOM 625 CB LYS A 37 -5.916 7.788 -3.540 1.00 0.00 C ATOM 626 CG LYS A 37 -4.604 8.497 -3.253 1.00 0.00 C ATOM 627 CD LYS A 37 -4.730 10.000 -3.438 1.00 0.00 C ATOM 628 CE LYS A 37 -4.403 10.413 -4.866 1.00 0.00 C ATOM 629 NZ LYS A 37 -5.611 10.406 -5.736 1.00 0.00 N ATOM 0 H LYS A 37 -6.282 6.581 -1.195 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.154 9.135 -2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.735 6.714 -3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.281 8.099 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.288 8.280 -2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.829 8.112 -3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.743 10.315 -3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.059 10.511 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.963 11.410 -4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.655 9.735 -5.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.593 11.237 -6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.619 9.540 -6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.465 10.437 -5.144 1.00 0.00 H new ATOM 643 N SER A 38 -9.026 8.090 -3.830 1.00 0.00 N ATOM 644 CA SER A 38 -10.301 7.586 -4.328 1.00 0.00 C ATOM 645 C SER A 38 -10.099 6.320 -5.155 1.00 0.00 C ATOM 646 O SER A 38 -9.850 6.384 -6.358 1.00 0.00 O ATOM 647 CB SER A 38 -11.001 8.653 -5.171 1.00 0.00 C ATOM 648 OG SER A 38 -10.174 9.083 -6.239 1.00 0.00 O ATOM 0 H SER A 38 -8.742 8.985 -4.228 1.00 0.00 H new ATOM 0 HA SER A 38 -10.927 7.342 -3.470 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.934 8.253 -5.568 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.261 9.505 -4.543 1.00 0.00 H new ATOM 0 HG SER A 38 -9.760 8.304 -6.667 1.00 0.00 H new ATOM 654 N GLY A 39 -10.209 5.169 -4.499 1.00 0.00 N ATOM 655 CA GLY A 39 -10.035 3.903 -5.188 1.00 0.00 C ATOM 656 C GLY A 39 -8.819 3.140 -4.702 1.00 0.00 C ATOM 657 O GLY A 39 -8.710 1.932 -4.912 1.00 0.00 O ATOM 0 H GLY A 39 -10.415 5.090 -3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.925 3.290 -5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.941 4.086 -6.259 1.00 0.00 H new ATOM 661 N TYR A 40 -7.900 3.846 -4.052 1.00 0.00 N ATOM 662 CA TYR A 40 -6.684 3.229 -3.539 1.00 0.00 C ATOM 663 C TYR A 40 -6.108 4.039 -2.382 1.00 0.00 C ATOM 664 O TYR A 40 -6.626 5.100 -2.033 1.00 0.00 O ATOM 665 CB TYR A 40 -5.643 3.099 -4.652 1.00 0.00 C ATOM 666 CG TYR A 40 -5.550 4.320 -5.538 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.358 4.452 -6.661 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.655 5.344 -5.252 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.275 5.566 -7.475 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.566 6.462 -6.059 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.378 6.569 -7.169 1.00 0.00 C ATOM 672 OH TYR A 40 -5.294 7.681 -7.975 1.00 0.00 O ATOM 0 H TYR A 40 -7.975 4.847 -3.868 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.940 2.235 -3.172 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.667 2.909 -4.205 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.886 2.232 -5.266 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.063 3.670 -6.902 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.018 5.264 -4.384 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.909 5.651 -8.346 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.864 7.248 -5.822 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.615 8.292 -7.620 1.00 0.00 H new ATOM 682 N ALA A 41 -5.032 3.531 -1.790 1.00 0.00 N ATOM 683 CA ALA A 41 -4.383 4.208 -0.674 1.00 0.00 C ATOM 684 C ALA A 41 -2.901 3.853 -0.603 1.00 0.00 C ATOM 685 O ALA A 41 -2.491 2.770 -1.019 1.00 0.00 O ATOM 686 CB ALA A 41 -5.075 3.853 0.634 1.00 0.00 C ATOM 0 H ALA A 41 -4.591 2.653 -2.065 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.466 5.283 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.580 4.366 1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.119 4.163 0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.023 2.776 0.793 1.00 0.00 H new ATOM 692 N PHE A 42 -2.101 4.774 -0.075 1.00 0.00 N ATOM 693 CA PHE A 42 -0.665 4.559 0.048 1.00 0.00 C ATOM 694 C PHE A 42 -0.239 4.556 1.514 1.00 0.00 C ATOM 695 O PHE A 42 -0.567 5.471 2.269 1.00 0.00 O ATOM 696 CB PHE A 42 0.101 5.641 -0.715 1.00 0.00 C ATOM 697 CG PHE A 42 -0.401 5.858 -2.114 1.00 0.00 C ATOM 698 CD1 PHE A 42 -0.316 4.847 -3.059 1.00 0.00 C ATOM 699 CD2 PHE A 42 -0.958 7.071 -2.484 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.776 5.044 -4.347 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.421 7.273 -3.771 1.00 0.00 C ATOM 702 CZ PHE A 42 -1.331 6.258 -4.703 1.00 0.00 C ATOM 0 H PHE A 42 -2.424 5.676 0.274 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.430 3.585 -0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.034 6.579 -0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.156 5.369 -0.754 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.114 3.895 -2.785 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.031 7.868 -1.759 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.702 4.250 -5.075 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.853 8.224 -4.047 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.694 6.413 -5.708 1.00 0.00 H new ATOM 712 N VAL A 43 0.494 3.520 1.908 1.00 0.00 N ATOM 713 CA VAL A 43 0.967 3.397 3.283 1.00 0.00 C ATOM 714 C VAL A 43 2.482 3.235 3.330 1.00 0.00 C ATOM 715 O VAL A 43 3.069 2.546 2.496 1.00 0.00 O ATOM 716 CB VAL A 43 0.310 2.200 3.996 1.00 0.00 C ATOM 717 CG1 VAL A 43 -1.169 2.463 4.230 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.512 0.925 3.192 1.00 0.00 C ATOM 0 H VAL A 43 0.773 2.754 1.296 1.00 0.00 H new ATOM 0 HA VAL A 43 0.687 4.316 3.799 1.00 0.00 H new ATOM 0 HB VAL A 43 0.789 2.071 4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.616 1.606 4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.287 3.351 4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.666 2.620 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.041 0.090 3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.061 1.041 2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.579 0.729 3.082 1.00 0.00 H new ATOM 728 N ASP A 44 3.108 3.873 4.313 1.00 0.00 N ATOM 729 CA ASP A 44 4.556 3.799 4.472 1.00 0.00 C ATOM 730 C ASP A 44 4.949 2.584 5.305 1.00 0.00 C ATOM 731 O ASP A 44 4.468 2.403 6.424 1.00 0.00 O ATOM 732 CB ASP A 44 5.084 5.076 5.127 1.00 0.00 C ATOM 733 CG ASP A 44 6.524 4.938 5.584 1.00 0.00 C ATOM 734 OD1 ASP A 44 6.814 4.001 6.355 1.00 0.00 O ATOM 735 OD2 ASP A 44 7.359 5.769 5.170 1.00 0.00 O ATOM 0 H ASP A 44 2.636 4.447 5.011 1.00 0.00 H new ATOM 0 HA ASP A 44 5.002 3.697 3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.007 5.902 4.420 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.457 5.329 5.982 1.00 0.00 H new ATOM 740 N TYR A 45 5.826 1.752 4.752 1.00 0.00 N ATOM 741 CA TYR A 45 6.281 0.552 5.443 1.00 0.00 C ATOM 742 C TYR A 45 7.673 0.759 6.034 1.00 0.00 C ATOM 743 O TYR A 45 8.529 1.426 5.454 1.00 0.00 O ATOM 744 CB TYR A 45 6.294 -0.640 4.484 1.00 0.00 C ATOM 745 CG TYR A 45 7.472 -0.643 3.538 1.00 0.00 C ATOM 746 CD1 TYR A 45 8.758 -0.898 3.998 1.00 0.00 C ATOM 747 CD2 TYR A 45 7.300 -0.392 2.181 1.00 0.00 C ATOM 748 CE1 TYR A 45 9.838 -0.901 3.135 1.00 0.00 C ATOM 749 CE2 TYR A 45 8.373 -0.394 1.312 1.00 0.00 C ATOM 750 CZ TYR A 45 9.641 -0.649 1.794 1.00 0.00 C ATOM 751 OH TYR A 45 10.713 -0.653 0.932 1.00 0.00 O ATOM 0 H TYR A 45 6.235 1.887 3.828 1.00 0.00 H new ATOM 0 HA TYR A 45 5.587 0.347 6.258 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.303 -1.562 5.065 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.372 -0.638 3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.917 -1.097 5.048 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.309 -0.192 1.800 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.831 -1.100 3.510 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.221 -0.197 0.261 1.00 0.00 H new ATOM 0 HH TYR A 45 10.403 -0.459 0.023 1.00 0.00 H new ATOM 761 N PRO A 46 7.905 0.171 7.217 1.00 0.00 N ATOM 762 CA PRO A 46 9.191 0.274 7.913 1.00 0.00 C ATOM 763 C PRO A 46 10.298 -0.496 7.202 1.00 0.00 C ATOM 764 O PRO A 46 11.374 0.042 6.941 1.00 0.00 O ATOM 765 CB PRO A 46 8.903 -0.344 9.283 1.00 0.00 C ATOM 766 CG PRO A 46 7.761 -1.272 9.048 1.00 0.00 C ATOM 767 CD PRO A 46 6.931 -0.639 7.966 1.00 0.00 C ATOM 0 HA PRO A 46 9.548 1.303 7.961 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.773 -0.876 9.668 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.647 0.421 10.016 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.115 -2.257 8.743 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.177 -1.411 9.958 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.460 -1.389 7.331 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.132 -0.024 8.381 1.00 0.00 H new ATOM 775 N ASP A 47 10.028 -1.760 6.891 1.00 0.00 N ATOM 776 CA ASP A 47 11.001 -2.605 6.209 1.00 0.00 C ATOM 777 C ASP A 47 10.317 -3.502 5.183 1.00 0.00 C ATOM 778 O ASP A 47 9.098 -3.671 5.207 1.00 0.00 O ATOM 779 CB ASP A 47 11.766 -3.458 7.222 1.00 0.00 C ATOM 780 CG ASP A 47 12.035 -2.717 8.517 1.00 0.00 C ATOM 781 OD1 ASP A 47 11.152 -2.726 9.400 1.00 0.00 O ATOM 782 OD2 ASP A 47 13.129 -2.129 8.649 1.00 0.00 O ATOM 0 H ASP A 47 9.143 -2.221 7.101 1.00 0.00 H new ATOM 0 HA ASP A 47 11.705 -1.957 5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.196 -4.362 7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.713 -3.775 6.785 1.00 0.00 H new ATOM 787 N GLN A 48 11.110 -4.074 4.283 1.00 0.00 N ATOM 788 CA GLN A 48 10.579 -4.952 3.247 1.00 0.00 C ATOM 789 C GLN A 48 9.880 -6.159 3.863 1.00 0.00 C ATOM 790 O GLN A 48 8.848 -6.611 3.367 1.00 0.00 O ATOM 791 CB GLN A 48 11.702 -5.417 2.318 1.00 0.00 C ATOM 792 CG GLN A 48 11.215 -6.251 1.143 1.00 0.00 C ATOM 793 CD GLN A 48 12.349 -6.743 0.267 1.00 0.00 C ATOM 794 OE1 GLN A 48 13.149 -5.952 -0.235 1.00 0.00 O ATOM 795 NE2 GLN A 48 12.425 -8.054 0.078 1.00 0.00 N ATOM 0 H GLN A 48 12.121 -3.945 4.250 1.00 0.00 H new ATOM 0 HA GLN A 48 9.848 -4.388 2.667 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.232 -4.544 1.938 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.420 -6.001 2.894 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.653 -7.106 1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.527 -5.657 0.541 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.741 -8.673 0.513 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.168 -8.443 -0.503 1.00 0.00 H new ATOM 804 N ASN A 49 10.449 -6.678 4.946 1.00 0.00 N ATOM 805 CA ASN A 49 9.881 -7.834 5.630 1.00 0.00 C ATOM 806 C ASN A 49 8.487 -7.519 6.165 1.00 0.00 C ATOM 807 O ASN A 49 7.560 -8.315 6.020 1.00 0.00 O ATOM 808 CB ASN A 49 10.793 -8.274 6.776 1.00 0.00 C ATOM 809 CG ASN A 49 12.064 -8.937 6.282 1.00 0.00 C ATOM 810 OD1 ASN A 49 12.031 -9.772 5.378 1.00 0.00 O ATOM 811 ND2 ASN A 49 13.193 -8.566 6.875 1.00 0.00 N ATOM 0 H ASN A 49 11.304 -6.316 5.369 1.00 0.00 H new ATOM 0 HA ASN A 49 9.798 -8.647 4.909 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.051 -7.407 7.384 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.253 -8.966 7.421 1.00 0.00 H new ATOM 0 HD21 ASN A 49 14.080 -8.977 6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 49 13.173 -7.870 7.620 1.00 0.00 H new ATOM 818 N TRP A 50 8.349 -6.352 6.784 1.00 0.00 N ATOM 819 CA TRP A 50 7.067 -5.932 7.341 1.00 0.00 C ATOM 820 C TRP A 50 6.009 -5.819 6.249 1.00 0.00 C ATOM 821 O TRP A 50 4.865 -6.232 6.437 1.00 0.00 O ATOM 822 CB TRP A 50 7.218 -4.591 8.062 1.00 0.00 C ATOM 823 CG TRP A 50 5.927 -4.062 8.609 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.501 -4.119 9.904 1.00 0.00 C ATOM 825 CD2 TRP A 50 4.892 -3.397 7.873 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.265 -3.530 10.020 1.00 0.00 N ATOM 827 CE2 TRP A 50 3.870 -3.080 8.788 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.732 -3.039 6.532 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.706 -2.422 8.403 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.575 -2.387 6.151 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.575 -2.082 7.084 1.00 0.00 C ATOM 0 H TRP A 50 9.106 -5.681 6.913 1.00 0.00 H new ATOM 0 HA TRP A 50 6.744 -6.688 8.056 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.931 -4.704 8.879 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.638 -3.860 7.371 1.00 0.00 H new ATOM 0 HD1 TRP A 50 6.054 -4.562 10.719 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.729 -3.442 10.883 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.499 -3.268 5.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.933 -2.188 9.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.439 -2.108 5.117 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.683 -1.569 6.756 1.00 0.00 H new ATOM 842 N ALA A 51 6.399 -5.259 5.109 1.00 0.00 N ATOM 843 CA ALA A 51 5.483 -5.095 3.986 1.00 0.00 C ATOM 844 C ALA A 51 4.967 -6.445 3.498 1.00 0.00 C ATOM 845 O ALA A 51 3.770 -6.614 3.264 1.00 0.00 O ATOM 846 CB ALA A 51 6.168 -4.349 2.851 1.00 0.00 C ATOM 0 H ALA A 51 7.343 -4.911 4.938 1.00 0.00 H new ATOM 0 HA ALA A 51 4.629 -4.510 4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.473 -4.234 2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.483 -3.365 3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.040 -4.913 2.519 1.00 0.00 H new ATOM 852 N ILE A 52 5.877 -7.401 3.346 1.00 0.00 N ATOM 853 CA ILE A 52 5.512 -8.735 2.885 1.00 0.00 C ATOM 854 C ILE A 52 4.613 -9.439 3.896 1.00 0.00 C ATOM 855 O ILE A 52 3.607 -10.047 3.530 1.00 0.00 O ATOM 856 CB ILE A 52 6.758 -9.603 2.632 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.692 -8.915 1.634 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.351 -10.978 2.122 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.114 -9.428 1.684 1.00 0.00 C ATOM 0 H ILE A 52 6.872 -7.277 3.535 1.00 0.00 H new ATOM 0 HA ILE A 52 4.971 -8.608 1.947 1.00 0.00 H new ATOM 0 HB ILE A 52 7.292 -9.729 3.574 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.300 -9.054 0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.694 -7.843 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.243 -11.580 1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.721 -11.469 2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.798 -10.871 1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.719 -8.895 0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.525 -9.265 2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.124 -10.494 1.458 1.00 0.00 H new ATOM 871 N ARG A 53 4.982 -9.350 5.170 1.00 0.00 N ATOM 872 CA ARG A 53 4.208 -9.978 6.235 1.00 0.00 C ATOM 873 C ARG A 53 2.870 -9.271 6.424 1.00 0.00 C ATOM 874 O ARG A 53 1.881 -9.887 6.817 1.00 0.00 O ATOM 875 CB ARG A 53 4.997 -9.960 7.546 1.00 0.00 C ATOM 876 CG ARG A 53 4.677 -11.127 8.466 1.00 0.00 C ATOM 877 CD ARG A 53 5.587 -12.315 8.195 1.00 0.00 C ATOM 878 NE ARG A 53 5.413 -13.373 9.186 1.00 0.00 N ATOM 879 CZ ARG A 53 6.058 -14.535 9.141 1.00 0.00 C ATOM 880 NH1 ARG A 53 6.914 -14.784 8.159 1.00 0.00 N ATOM 881 NH2 ARG A 53 5.846 -15.449 10.080 1.00 0.00 N ATOM 0 H ARG A 53 5.811 -8.850 5.490 1.00 0.00 H new ATOM 0 HA ARG A 53 4.015 -11.012 5.949 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.063 -9.969 7.319 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.791 -9.027 8.071 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.785 -10.814 9.504 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.637 -11.425 8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.380 -12.711 7.201 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.626 -11.984 8.196 1.00 0.00 H new ATOM 0 HE ARG A 53 4.762 -13.212 9.954 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.079 -14.083 7.436 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.408 -15.676 8.127 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.188 -15.260 10.836 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.341 -16.340 10.045 1.00 0.00 H new ATOM 895 N ALA A 54 2.848 -7.972 6.141 1.00 0.00 N ATOM 896 CA ALA A 54 1.631 -7.181 6.279 1.00 0.00 C ATOM 897 C ALA A 54 0.634 -7.510 5.173 1.00 0.00 C ATOM 898 O ALA A 54 -0.563 -7.654 5.426 1.00 0.00 O ATOM 899 CB ALA A 54 1.963 -5.696 6.268 1.00 0.00 C ATOM 0 H ALA A 54 3.659 -7.446 5.815 1.00 0.00 H new ATOM 0 HA ALA A 54 1.170 -7.432 7.234 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.045 -5.117 6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.632 -5.467 7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.450 -5.439 5.327 1.00 0.00 H new ATOM 905 N ILE A 55 1.134 -7.626 3.948 1.00 0.00 N ATOM 906 CA ILE A 55 0.287 -7.939 2.803 1.00 0.00 C ATOM 907 C ILE A 55 -0.319 -9.332 2.932 1.00 0.00 C ATOM 908 O ILE A 55 -1.521 -9.516 2.745 1.00 0.00 O ATOM 909 CB ILE A 55 1.072 -7.853 1.481 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.475 -6.405 1.195 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.242 -8.413 0.335 1.00 0.00 C ATOM 912 CD1 ILE A 55 2.743 -6.281 0.378 1.00 0.00 C ATOM 0 H ILE A 55 2.122 -7.508 3.722 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.512 -7.198 2.790 1.00 0.00 H new ATOM 0 HB ILE A 55 1.978 -8.451 1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.662 -5.908 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.609 -5.880 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.810 -8.345 -0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.000 -9.456 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.680 -7.839 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.968 -5.227 0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.569 -6.749 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.607 -6.777 -0.583 1.00 0.00 H new ATOM 924 N GLU A 56 0.523 -10.310 3.254 1.00 0.00 N ATOM 925 CA GLU A 56 0.068 -11.687 3.409 1.00 0.00 C ATOM 926 C GLU A 56 -0.928 -11.806 4.559 1.00 0.00 C ATOM 927 O GLU A 56 -1.935 -12.507 4.454 1.00 0.00 O ATOM 928 CB GLU A 56 1.260 -12.615 3.655 1.00 0.00 C ATOM 929 CG GLU A 56 1.034 -14.037 3.167 1.00 0.00 C ATOM 930 CD GLU A 56 0.395 -14.920 4.221 1.00 0.00 C ATOM 931 OE1 GLU A 56 -0.847 -14.893 4.344 1.00 0.00 O ATOM 932 OE2 GLU A 56 1.138 -15.638 4.923 1.00 0.00 O ATOM 0 H GLU A 56 1.521 -10.174 3.412 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.432 -11.983 2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.139 -12.204 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.479 -12.636 4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.399 -14.017 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.988 -14.470 2.865 1.00 0.00 H new ATOM 939 N THR A 57 -0.640 -11.115 5.658 1.00 0.00 N ATOM 940 CA THR A 57 -1.509 -11.143 6.828 1.00 0.00 C ATOM 941 C THR A 57 -2.742 -10.272 6.618 1.00 0.00 C ATOM 942 O THR A 57 -3.806 -10.540 7.178 1.00 0.00 O ATOM 943 CB THR A 57 -0.765 -10.665 8.089 1.00 0.00 C ATOM 944 OG1 THR A 57 0.356 -11.517 8.352 1.00 0.00 O ATOM 945 CG2 THR A 57 -1.695 -10.657 9.294 1.00 0.00 C ATOM 0 H THR A 57 0.188 -10.529 5.762 1.00 0.00 H new ATOM 0 HA THR A 57 -1.820 -12.178 6.968 1.00 0.00 H new ATOM 0 HB THR A 57 -0.413 -9.649 7.912 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.147 -11.168 7.891 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.148 -10.316 10.173 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.532 -9.985 9.104 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.072 -11.665 9.469 1.00 0.00 H new ATOM 953 N LEU A 58 -2.595 -9.230 5.807 1.00 0.00 N ATOM 954 CA LEU A 58 -3.698 -8.321 5.522 1.00 0.00 C ATOM 955 C LEU A 58 -4.335 -8.642 4.174 1.00 0.00 C ATOM 956 O LEU A 58 -5.436 -9.189 4.111 1.00 0.00 O ATOM 957 CB LEU A 58 -3.208 -6.872 5.534 1.00 0.00 C ATOM 958 CG LEU A 58 -2.582 -6.386 6.843 1.00 0.00 C ATOM 959 CD1 LEU A 58 -1.937 -5.022 6.652 1.00 0.00 C ATOM 960 CD2 LEU A 58 -3.629 -6.334 7.947 1.00 0.00 C ATOM 0 H LEU A 58 -1.722 -8.994 5.335 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.451 -8.450 6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.475 -6.751 4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.050 -6.223 5.294 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.807 -7.093 7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.497 -4.693 7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.159 -5.091 5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.692 -4.304 6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.167 -5.986 8.871 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.427 -5.649 7.660 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.044 -7.330 8.102 1.00 0.00 H new ATOM 972 N SER A 59 -3.634 -8.301 3.098 1.00 0.00 N ATOM 973 CA SER A 59 -4.132 -8.552 1.750 1.00 0.00 C ATOM 974 C SER A 59 -4.571 -10.005 1.595 1.00 0.00 C ATOM 975 O SER A 59 -3.826 -10.929 1.919 1.00 0.00 O ATOM 976 CB SER A 59 -3.054 -8.220 0.716 1.00 0.00 C ATOM 977 OG SER A 59 -2.279 -9.365 0.401 1.00 0.00 O ATOM 0 H SER A 59 -2.720 -7.850 3.133 1.00 0.00 H new ATOM 0 HA SER A 59 -4.997 -7.910 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.521 -7.833 -0.190 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.406 -7.433 1.102 1.00 0.00 H new ATOM 0 HG SER A 59 -2.150 -9.905 1.209 1.00 0.00 H new ATOM 983 N GLY A 60 -5.788 -10.199 1.097 1.00 0.00 N ATOM 984 CA GLY A 60 -6.307 -11.540 0.907 1.00 0.00 C ATOM 985 C GLY A 60 -6.820 -12.151 2.196 1.00 0.00 C ATOM 986 O GLY A 60 -7.465 -13.200 2.182 1.00 0.00 O ATOM 0 H GLY A 60 -6.424 -9.451 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.114 -11.514 0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.523 -12.175 0.494 1.00 0.00 H new ATOM 990 N LYS A 61 -6.531 -11.496 3.315 1.00 0.00 N ATOM 991 CA LYS A 61 -6.965 -11.980 4.620 1.00 0.00 C ATOM 992 C LYS A 61 -7.825 -10.938 5.329 1.00 0.00 C ATOM 993 O LYS A 61 -8.501 -11.241 6.312 1.00 0.00 O ATOM 994 CB LYS A 61 -5.755 -12.333 5.486 1.00 0.00 C ATOM 995 CG LYS A 61 -5.996 -12.148 6.974 1.00 0.00 C ATOM 996 CD LYS A 61 -4.920 -12.829 7.803 1.00 0.00 C ATOM 997 CE LYS A 61 -5.221 -14.306 8.001 1.00 0.00 C ATOM 998 NZ LYS A 61 -6.463 -14.518 8.795 1.00 0.00 N ATOM 0 H LYS A 61 -5.997 -10.627 3.344 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.565 -12.876 4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.475 -13.369 5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.910 -11.714 5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.019 -11.084 7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.972 -12.555 7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.954 -12.716 7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.842 -12.339 8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.324 -14.789 7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.381 -14.783 8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.421 -15.445 9.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.548 -13.771 9.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.289 -14.486 8.163 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.794 -9.710 4.822 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.572 -8.623 5.405 1.00 0.00 C ATOM 1014 C VAL A 62 -9.597 -8.086 4.412 1.00 0.00 C ATOM 1015 O VAL A 62 -9.270 -7.805 3.260 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.665 -7.466 5.865 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -8.488 -6.220 6.146 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -6.865 -7.874 7.093 1.00 0.00 C ATOM 0 H VAL A 62 -7.239 -9.443 4.009 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.090 -9.035 6.271 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.965 -7.235 5.062 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.829 -5.414 6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.012 -5.918 5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.214 -6.433 6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.229 -7.045 7.405 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.548 -8.133 7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.244 -8.737 6.853 1.00 0.00 H new ATOM 1028 N GLU A 63 -10.838 -7.946 4.867 1.00 0.00 N ATOM 1029 CA GLU A 63 -11.911 -7.444 4.018 1.00 0.00 C ATOM 1030 C GLU A 63 -12.555 -6.204 4.631 1.00 0.00 C ATOM 1031 O GLU A 63 -12.874 -6.180 5.821 1.00 0.00 O ATOM 1032 CB GLU A 63 -12.969 -8.526 3.800 1.00 0.00 C ATOM 1033 CG GLU A 63 -14.093 -8.101 2.870 1.00 0.00 C ATOM 1034 CD GLU A 63 -15.286 -9.035 2.932 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -15.933 -9.100 3.997 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -15.573 -9.700 1.914 1.00 0.00 O ATOM 0 H GLU A 63 -11.125 -8.173 5.819 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.479 -7.170 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.488 -9.415 3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.393 -8.807 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.413 -7.092 3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.719 -8.063 1.847 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.743 -5.175 3.812 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.349 -3.931 4.273 1.00 0.00 C ATOM 1045 C LEU A 64 -14.633 -3.633 3.506 1.00 0.00 C ATOM 1046 O LEU A 64 -14.637 -3.584 2.275 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.364 -2.771 4.111 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.541 -1.600 5.078 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.791 -2.109 6.490 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.320 -0.692 5.046 1.00 0.00 C ATOM 0 H LEU A 64 -12.484 -5.178 2.825 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.597 -4.046 5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.353 -3.161 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.446 -2.391 3.093 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.408 -1.020 4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.915 -1.262 7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.695 -2.718 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.943 -2.712 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.464 0.136 5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.436 -1.260 5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.184 -0.300 4.038 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.723 -3.435 4.241 1.00 0.00 N ATOM 1063 CA HIS A 65 -17.014 -3.139 3.631 1.00 0.00 C ATOM 1064 C HIS A 65 -17.453 -4.275 2.713 1.00 0.00 C ATOM 1065 O HIS A 65 -18.020 -4.042 1.647 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.942 -1.831 2.842 1.00 0.00 C ATOM 1067 CG HIS A 65 -17.237 -0.616 3.668 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -18.518 -0.173 3.923 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -16.409 0.248 4.299 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -18.465 0.911 4.674 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -17.196 1.189 4.916 1.00 0.00 N ATOM 0 H HIS A 65 -15.738 -3.474 5.260 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.749 -3.033 4.429 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.947 -1.732 2.408 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.648 -1.877 2.013 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.330 0.206 4.315 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -19.314 1.475 5.030 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.856 1.975 5.471 1.00 0.00 H new ATOM 1079 N GLY A 66 -17.187 -5.508 3.135 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.561 -6.663 2.340 1.00 0.00 C ATOM 1081 C GLY A 66 -16.668 -6.846 1.128 1.00 0.00 C ATOM 1082 O GLY A 66 -16.801 -7.823 0.391 1.00 0.00 O ATOM 0 H GLY A 66 -16.719 -5.727 4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.514 -7.558 2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.595 -6.556 2.013 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.757 -5.901 0.919 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.839 -5.962 -0.212 1.00 0.00 C ATOM 1088 C LYS A 67 -13.421 -6.279 0.254 1.00 0.00 C ATOM 1089 O LYS A 67 -12.901 -5.639 1.168 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.850 -4.636 -0.976 1.00 0.00 C ATOM 1091 CG LYS A 67 -16.184 -4.325 -1.633 1.00 0.00 C ATOM 1092 CD LYS A 67 -16.159 -2.976 -2.334 1.00 0.00 C ATOM 1093 CE LYS A 67 -15.472 -3.065 -3.688 1.00 0.00 C ATOM 1094 NZ LYS A 67 -16.405 -3.523 -4.755 1.00 0.00 N ATOM 0 H LYS A 67 -15.635 -5.084 1.518 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.172 -6.760 -0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.595 -3.828 -0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.074 -4.661 -1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.427 -5.106 -2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.972 -4.330 -0.880 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.179 -2.614 -2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.641 -2.249 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.067 -2.089 -3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.629 -3.753 -3.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.899 -3.570 -5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.772 -4.466 -4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.196 -2.853 -4.835 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.803 -7.269 -0.380 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.444 -7.670 -0.030 1.00 0.00 C ATOM 1110 C ILE A 68 -10.440 -6.583 -0.399 1.00 0.00 C ATOM 1111 O ILE A 68 -10.426 -6.095 -1.529 1.00 0.00 O ATOM 1112 CB ILE A 68 -11.047 -8.981 -0.732 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -12.099 -10.062 -0.477 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.679 -9.444 -0.253 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -12.043 -10.643 0.918 1.00 0.00 C ATOM 0 H ILE A 68 -13.220 -7.809 -1.138 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.427 -7.826 1.049 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.994 -8.799 -1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.090 -9.640 -0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.966 -10.865 -1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.412 -10.372 -0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.936 -8.680 -0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.708 -9.612 0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.817 -11.403 1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.065 -11.095 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.206 -9.851 1.649 1.00 0.00 H new ATOM 1127 N MET A 69 -9.600 -6.211 0.561 1.00 0.00 N ATOM 1128 CA MET A 69 -8.589 -5.184 0.335 1.00 0.00 C ATOM 1129 C MET A 69 -7.345 -5.780 -0.313 1.00 0.00 C ATOM 1130 O MET A 69 -6.882 -6.851 0.079 1.00 0.00 O ATOM 1131 CB MET A 69 -8.217 -4.507 1.656 1.00 0.00 C ATOM 1132 CG MET A 69 -7.064 -5.183 2.382 1.00 0.00 C ATOM 1133 SD MET A 69 -6.928 -4.663 4.103 1.00 0.00 S ATOM 1134 CE MET A 69 -6.515 -2.932 3.902 1.00 0.00 C ATOM 0 H MET A 69 -9.599 -6.605 1.502 1.00 0.00 H new ATOM 0 HA MET A 69 -9.007 -4.439 -0.342 1.00 0.00 H new ATOM 0 HB2 MET A 69 -7.953 -3.468 1.460 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.090 -4.497 2.308 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.198 -6.264 2.342 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.132 -4.959 1.864 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.725 -2.663 4.603 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.171 -2.756 2.883 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.397 -2.322 4.097 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.807 -5.080 -1.307 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.616 -5.542 -2.010 1.00 0.00 C ATOM 1146 C GLU A 70 -4.422 -4.641 -1.708 1.00 0.00 C ATOM 1147 O GLU A 70 -4.491 -3.423 -1.877 1.00 0.00 O ATOM 1148 CB GLU A 70 -5.870 -5.583 -3.518 1.00 0.00 C ATOM 1149 CG GLU A 70 -5.040 -6.627 -4.246 1.00 0.00 C ATOM 1150 CD GLU A 70 -3.706 -6.084 -4.722 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -3.237 -5.079 -4.147 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -3.132 -6.664 -5.666 1.00 0.00 O ATOM 0 H GLU A 70 -7.177 -4.191 -1.643 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.387 -6.549 -1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.927 -5.783 -3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.656 -4.601 -3.941 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.867 -7.475 -3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.602 -7.001 -5.102 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.328 -5.248 -1.260 1.00 0.00 N ATOM 1160 CA VAL A 71 -2.118 -4.501 -0.936 1.00 0.00 C ATOM 1161 C VAL A 71 -0.926 -5.011 -1.738 1.00 0.00 C ATOM 1162 O VAL A 71 -0.621 -6.204 -1.726 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.789 -4.591 0.567 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.862 -3.458 0.979 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -3.066 -4.576 1.392 1.00 0.00 C ATOM 0 H VAL A 71 -3.254 -6.255 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.309 -3.460 -1.197 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.275 -5.534 0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.641 -3.538 2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.065 -3.521 0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.345 -2.502 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.816 -4.640 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.610 -3.651 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.689 -5.426 1.114 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.253 -4.100 -2.432 1.00 0.00 N ATOM 1176 CA ASP A 72 0.907 -4.456 -3.239 1.00 0.00 C ATOM 1177 C ASP A 72 1.857 -3.271 -3.380 1.00 0.00 C ATOM 1178 O ASP A 72 1.452 -2.118 -3.231 1.00 0.00 O ATOM 1179 CB ASP A 72 0.466 -4.939 -4.621 1.00 0.00 C ATOM 1180 CG ASP A 72 1.480 -5.866 -5.263 1.00 0.00 C ATOM 1181 OD1 ASP A 72 2.306 -6.444 -4.525 1.00 0.00 O ATOM 1182 OD2 ASP A 72 1.447 -6.014 -6.501 1.00 0.00 O ATOM 0 H ASP A 72 -0.492 -3.108 -2.452 1.00 0.00 H new ATOM 0 HA ASP A 72 1.436 -5.263 -2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.490 -5.456 -4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.305 -4.078 -5.269 1.00 0.00 H new ATOM 1187 N TYR A 73 3.121 -3.562 -3.666 1.00 0.00 N ATOM 1188 CA TYR A 73 4.128 -2.520 -3.823 1.00 0.00 C ATOM 1189 C TYR A 73 3.591 -1.363 -4.660 1.00 0.00 C ATOM 1190 O TYR A 73 2.693 -1.543 -5.484 1.00 0.00 O ATOM 1191 CB TYR A 73 5.388 -3.093 -4.475 1.00 0.00 C ATOM 1192 CG TYR A 73 5.935 -4.312 -3.766 1.00 0.00 C ATOM 1193 CD1 TYR A 73 6.273 -4.263 -2.420 1.00 0.00 C ATOM 1194 CD2 TYR A 73 6.114 -5.511 -4.444 1.00 0.00 C ATOM 1195 CE1 TYR A 73 6.774 -5.374 -1.769 1.00 0.00 C ATOM 1196 CE2 TYR A 73 6.613 -6.627 -3.801 1.00 0.00 C ATOM 1197 CZ TYR A 73 6.942 -6.553 -2.463 1.00 0.00 C ATOM 1198 OH TYR A 73 7.440 -7.663 -1.819 1.00 0.00 O ATOM 0 H TYR A 73 3.472 -4.511 -3.794 1.00 0.00 H new ATOM 0 HA TYR A 73 4.379 -2.142 -2.832 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.165 -3.354 -5.510 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.157 -2.321 -4.500 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.142 -3.341 -1.873 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.859 -5.572 -5.492 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.033 -5.319 -0.722 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.745 -7.552 -4.342 1.00 0.00 H new ATOM 0 HH TYR A 73 7.495 -8.410 -2.451 1.00 0.00 H new ATOM 1208 N SER A 74 4.145 -0.175 -4.443 1.00 0.00 N ATOM 1209 CA SER A 74 3.721 1.013 -5.175 1.00 0.00 C ATOM 1210 C SER A 74 4.608 1.246 -6.394 1.00 0.00 C ATOM 1211 O SER A 74 5.162 2.331 -6.573 1.00 0.00 O ATOM 1212 CB SER A 74 3.756 2.240 -4.261 1.00 0.00 C ATOM 1213 OG SER A 74 5.081 2.714 -4.094 1.00 0.00 O ATOM 0 H SER A 74 4.889 -0.009 -3.766 1.00 0.00 H new ATOM 0 HA SER A 74 2.699 0.853 -5.518 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.134 3.030 -4.683 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.332 1.986 -3.289 1.00 0.00 H new ATOM 0 HG SER A 74 5.521 2.211 -3.377 1.00 0.00 H new ATOM 1219 N VAL A 75 4.738 0.220 -7.229 1.00 0.00 N ATOM 1220 CA VAL A 75 5.556 0.313 -8.432 1.00 0.00 C ATOM 1221 C VAL A 75 4.722 0.065 -9.684 1.00 0.00 C ATOM 1222 O VAL A 75 4.026 -0.945 -9.788 1.00 0.00 O ATOM 1223 CB VAL A 75 6.721 -0.694 -8.396 1.00 0.00 C ATOM 1224 CG1 VAL A 75 7.739 -0.296 -7.339 1.00 0.00 C ATOM 1225 CG2 VAL A 75 6.201 -2.102 -8.145 1.00 0.00 C ATOM 0 H VAL A 75 4.287 -0.685 -7.094 1.00 0.00 H new ATOM 0 HA VAL A 75 5.960 1.325 -8.464 1.00 0.00 H new ATOM 0 HB VAL A 75 7.218 -0.683 -9.366 1.00 0.00 H new ATOM 0 HG11 VAL A 75 8.554 -1.019 -7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.134 0.693 -7.569 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.259 -0.276 -6.361 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.038 -2.800 -8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.678 -2.132 -7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.514 -2.384 -8.943 1.00 0.00 H new ATOM 1235 N SER A 76 4.799 0.992 -10.633 1.00 0.00 N ATOM 1236 CA SER A 76 4.048 0.876 -11.878 1.00 0.00 C ATOM 1237 C SER A 76 4.941 1.173 -13.079 1.00 0.00 C ATOM 1238 O SER A 76 5.315 2.321 -13.321 1.00 0.00 O ATOM 1239 CB SER A 76 2.853 1.830 -11.868 1.00 0.00 C ATOM 1240 OG SER A 76 1.814 1.336 -11.039 1.00 0.00 O ATOM 0 H SER A 76 5.374 1.832 -10.564 1.00 0.00 H new ATOM 0 HA SER A 76 3.685 -0.148 -11.961 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.170 2.811 -11.514 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.481 1.962 -12.884 1.00 0.00 H new ATOM 0 HG SER A 76 1.062 1.964 -11.048 1.00 0.00 H new ATOM 1246 N LYS A 77 5.278 0.130 -13.830 1.00 0.00 N ATOM 1247 CA LYS A 77 6.124 0.277 -15.008 1.00 0.00 C ATOM 1248 C LYS A 77 6.184 -1.025 -15.800 1.00 0.00 C ATOM 1249 O LYS A 77 6.634 -2.053 -15.293 1.00 0.00 O ATOM 1250 CB LYS A 77 7.537 0.701 -14.597 1.00 0.00 C ATOM 1251 CG LYS A 77 8.455 0.979 -15.774 1.00 0.00 C ATOM 1252 CD LYS A 77 9.499 2.029 -15.432 1.00 0.00 C ATOM 1253 CE LYS A 77 10.072 2.673 -16.685 1.00 0.00 C ATOM 1254 NZ LYS A 77 9.291 3.870 -17.100 1.00 0.00 N ATOM 0 H LYS A 77 4.978 -0.827 -13.643 1.00 0.00 H new ATOM 0 HA LYS A 77 5.689 1.049 -15.643 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.473 1.596 -13.978 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.978 -0.083 -13.981 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.951 0.056 -16.075 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.864 1.316 -16.626 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.052 2.796 -14.799 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.303 1.570 -14.857 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.108 2.960 -16.504 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.080 1.945 -17.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.713 4.280 -17.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.308 3.592 -17.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.305 4.575 -16.336 1.00 0.00 H new ATOM 1268 N LYS A 78 5.730 -0.973 -17.048 1.00 0.00 N ATOM 1269 CA LYS A 78 5.734 -2.148 -17.913 1.00 0.00 C ATOM 1270 C LYS A 78 7.121 -2.387 -18.500 1.00 0.00 C ATOM 1271 O LYS A 78 7.538 -1.698 -19.432 1.00 0.00 O ATOM 1272 CB LYS A 78 4.713 -1.979 -19.040 1.00 0.00 C ATOM 1273 CG LYS A 78 4.308 -3.289 -19.695 1.00 0.00 C ATOM 1274 CD LYS A 78 3.025 -3.138 -20.496 1.00 0.00 C ATOM 1275 CE LYS A 78 3.290 -2.525 -21.862 1.00 0.00 C ATOM 1276 NZ LYS A 78 3.619 -3.561 -22.880 1.00 0.00 N ATOM 0 H LYS A 78 5.355 -0.130 -17.483 1.00 0.00 H new ATOM 0 HA LYS A 78 5.461 -3.014 -17.310 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.823 -1.491 -18.643 1.00 0.00 H new ATOM 0 HB3 LYS A 78 5.128 -1.316 -19.799 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.109 -3.632 -20.350 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.173 -4.053 -18.930 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.555 -4.114 -20.619 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.322 -2.512 -19.945 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.413 -1.964 -22.185 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.113 -1.814 -21.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.793 -3.103 -23.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.471 -4.080 -22.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.823 -4.225 -22.970 1.00 0.00 H new ATOM 1290 N LEU A 79 7.830 -3.365 -17.950 1.00 0.00 N ATOM 1291 CA LEU A 79 9.172 -3.696 -18.420 1.00 0.00 C ATOM 1292 C LEU A 79 9.112 -4.476 -19.731 1.00 0.00 C ATOM 1293 O LEU A 79 9.099 -5.707 -19.732 1.00 0.00 O ATOM 1294 CB LEU A 79 9.918 -4.511 -17.363 1.00 0.00 C ATOM 1295 CG LEU A 79 10.609 -3.708 -16.261 1.00 0.00 C ATOM 1296 CD1 LEU A 79 9.582 -2.977 -15.410 1.00 0.00 C ATOM 1297 CD2 LEU A 79 11.469 -4.617 -15.396 1.00 0.00 C ATOM 0 H LEU A 79 7.499 -3.944 -17.178 1.00 0.00 H new ATOM 0 HA LEU A 79 9.709 -2.764 -18.596 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.211 -5.197 -16.896 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.669 -5.120 -17.866 1.00 0.00 H new ATOM 0 HG LEU A 79 11.257 -2.968 -16.730 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.092 -2.411 -14.631 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.008 -2.295 -16.038 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.909 -3.701 -14.951 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.953 -4.027 -14.617 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.842 -5.381 -14.936 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.229 -5.095 -16.014 1.00 0.00 H new ATOM 1309 N ARG A 80 9.077 -3.749 -20.844 1.00 0.00 N ATOM 1310 CA ARG A 80 9.021 -4.372 -22.160 1.00 0.00 C ATOM 1311 C ARG A 80 9.926 -5.599 -22.221 1.00 0.00 C ATOM 1312 O ARG A 80 10.925 -5.681 -21.507 1.00 0.00 O ATOM 1313 CB ARG A 80 9.429 -3.370 -23.241 1.00 0.00 C ATOM 1314 CG ARG A 80 10.878 -2.922 -23.140 1.00 0.00 C ATOM 1315 CD ARG A 80 11.060 -1.859 -22.069 1.00 0.00 C ATOM 1316 NE ARG A 80 12.338 -1.164 -22.199 1.00 0.00 N ATOM 1317 CZ ARG A 80 12.534 -0.133 -23.014 1.00 0.00 C ATOM 1318 NH1 ARG A 80 11.541 0.319 -23.767 1.00 0.00 N ATOM 1319 NH2 ARG A 80 13.726 0.447 -23.076 1.00 0.00 N ATOM 0 H ARG A 80 9.086 -2.729 -20.860 1.00 0.00 H new ATOM 0 HA ARG A 80 7.994 -4.691 -22.339 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.263 -3.818 -24.221 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.782 -2.495 -23.177 1.00 0.00 H new ATOM 0 HG2 ARG A 80 11.510 -3.780 -22.913 1.00 0.00 H new ATOM 0 HG3 ARG A 80 11.206 -2.530 -24.103 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.246 -1.137 -22.133 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.998 -2.322 -21.084 1.00 0.00 H new ATOM 0 HE ARG A 80 13.123 -1.488 -21.633 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.624 -0.125 -23.722 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.694 1.111 -24.392 1.00 0.00 H new ATOM 0 HH21 ARG A 80 14.492 0.101 -22.498 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.876 1.238 -23.702 1.00 0.00 H new ATOM 1333 N SER A 81 9.570 -6.550 -23.080 1.00 0.00 N ATOM 1334 CA SER A 81 10.348 -7.774 -23.230 1.00 0.00 C ATOM 1335 C SER A 81 11.006 -7.832 -24.605 1.00 0.00 C ATOM 1336 O SER A 81 11.026 -8.880 -25.252 1.00 0.00 O ATOM 1337 CB SER A 81 9.454 -8.999 -23.027 1.00 0.00 C ATOM 1338 OG SER A 81 9.164 -9.197 -21.655 1.00 0.00 O ATOM 0 H SER A 81 8.748 -6.496 -23.682 1.00 0.00 H new ATOM 0 HA SER A 81 11.130 -7.775 -22.471 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.525 -8.872 -23.583 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.948 -9.884 -23.429 1.00 0.00 H new ATOM 0 HG SER A 81 8.590 -9.985 -21.552 1.00 0.00 H new ATOM 1344 N SER A 82 11.546 -6.701 -25.045 1.00 0.00 N ATOM 1345 CA SER A 82 12.202 -6.621 -26.344 1.00 0.00 C ATOM 1346 C SER A 82 13.221 -5.485 -26.369 1.00 0.00 C ATOM 1347 O SER A 82 13.014 -4.437 -25.759 1.00 0.00 O ATOM 1348 CB SER A 82 11.166 -6.416 -27.451 1.00 0.00 C ATOM 1349 OG SER A 82 10.509 -7.632 -27.765 1.00 0.00 O ATOM 0 H SER A 82 11.542 -5.826 -24.520 1.00 0.00 H new ATOM 0 HA SER A 82 12.727 -7.561 -26.517 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.433 -5.674 -27.135 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.654 -6.022 -28.342 1.00 0.00 H new ATOM 0 HG SER A 82 10.623 -8.266 -27.026 1.00 0.00 H new ATOM 1355 N GLY A 83 14.323 -5.702 -27.080 1.00 0.00 N ATOM 1356 CA GLY A 83 15.358 -4.689 -27.173 1.00 0.00 C ATOM 1357 C GLY A 83 16.679 -5.252 -27.661 1.00 0.00 C ATOM 1358 O GLY A 83 16.776 -6.415 -28.053 1.00 0.00 O ATOM 0 H GLY A 83 14.518 -6.562 -27.593 1.00 0.00 H new ATOM 0 HA2 GLY A 83 15.030 -3.900 -27.850 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.501 -4.230 -26.195 1.00 0.00 H new ATOM 1362 N PRO A 84 17.726 -4.415 -27.643 1.00 0.00 N ATOM 1363 CA PRO A 84 19.066 -4.813 -28.087 1.00 0.00 C ATOM 1364 C PRO A 84 19.719 -5.806 -27.132 1.00 0.00 C ATOM 1365 O PRO A 84 19.190 -6.091 -26.058 1.00 0.00 O ATOM 1366 CB PRO A 84 19.842 -3.494 -28.098 1.00 0.00 C ATOM 1367 CG PRO A 84 19.135 -2.628 -27.113 1.00 0.00 C ATOM 1368 CD PRO A 84 17.683 -3.014 -27.190 1.00 0.00 C ATOM 0 HA PRO A 84 19.043 -5.318 -29.053 1.00 0.00 H new ATOM 0 HB2 PRO A 84 20.884 -3.646 -27.815 1.00 0.00 H new ATOM 0 HB3 PRO A 84 19.843 -3.044 -29.091 1.00 0.00 H new ATOM 0 HG2 PRO A 84 19.527 -2.781 -26.107 1.00 0.00 H new ATOM 0 HG3 PRO A 84 19.272 -1.573 -27.352 1.00 0.00 H new ATOM 0 HD2 PRO A 84 17.190 -2.919 -26.222 1.00 0.00 H new ATOM 0 HD3 PRO A 84 17.136 -2.382 -27.889 1.00 0.00 H new ATOM 1376 N SER A 85 20.874 -6.332 -27.531 1.00 0.00 N ATOM 1377 CA SER A 85 21.597 -7.296 -26.712 1.00 0.00 C ATOM 1378 C SER A 85 23.026 -6.826 -26.454 1.00 0.00 C ATOM 1379 O SER A 85 23.912 -7.012 -27.288 1.00 0.00 O ATOM 1380 CB SER A 85 21.615 -8.665 -27.396 1.00 0.00 C ATOM 1381 OG SER A 85 22.298 -9.622 -26.604 1.00 0.00 O ATOM 0 H SER A 85 21.328 -6.106 -28.416 1.00 0.00 H new ATOM 0 HA SER A 85 21.082 -7.382 -25.755 1.00 0.00 H new ATOM 0 HB2 SER A 85 20.593 -8.999 -27.575 1.00 0.00 H new ATOM 0 HB3 SER A 85 22.098 -8.582 -28.369 1.00 0.00 H new ATOM 0 HG SER A 85 22.294 -10.488 -27.062 1.00 0.00 H new ATOM 1387 N SER A 86 23.240 -6.216 -25.293 1.00 0.00 N ATOM 1388 CA SER A 86 24.559 -5.714 -24.925 1.00 0.00 C ATOM 1389 C SER A 86 25.393 -6.811 -24.269 1.00 0.00 C ATOM 1390 O SER A 86 26.573 -6.977 -24.575 1.00 0.00 O ATOM 1391 CB SER A 86 24.429 -4.521 -23.977 1.00 0.00 C ATOM 1392 OG SER A 86 24.016 -4.937 -22.687 1.00 0.00 O ATOM 0 H SER A 86 22.517 -6.057 -24.591 1.00 0.00 H new ATOM 0 HA SER A 86 25.065 -5.391 -25.835 1.00 0.00 H new ATOM 0 HB2 SER A 86 25.385 -4.003 -23.906 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.709 -3.809 -24.380 1.00 0.00 H new ATOM 0 HG SER A 86 23.942 -4.156 -22.100 1.00 0.00 H new ATOM 1398 N GLY A 87 24.770 -7.557 -23.361 1.00 0.00 N ATOM 1399 CA GLY A 87 25.468 -8.628 -22.675 1.00 0.00 C ATOM 1400 C GLY A 87 25.642 -8.351 -21.195 1.00 0.00 C ATOM 1401 O GLY A 87 26.592 -8.830 -20.575 1.00 0.00 O ATOM 0 H GLY A 87 23.794 -7.438 -23.089 1.00 0.00 H new ATOM 0 HA2 GLY A 87 24.916 -9.559 -22.805 1.00 0.00 H new ATOM 0 HA3 GLY A 87 26.447 -8.771 -23.132 1.00 0.00 H new TER 1405 GLY A 87