USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 596 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 14 TYR OH : rot 130:sc= -0.653! USER MOD Set 1.2: A 15 GLN : amide:sc= -0.921! C(o=-0.44!,f=-19!) USER MOD Set 1.3: A 18 LYS NZ :NH3+ 156:sc= 1.13 (180deg=0.379) USER MOD Set 2.1: A 3 GLN : amide:sc= 0.789 K(o=-0.0063,f=-2.7!) USER MOD Set 2.2: B 114 TYR OH : rot 176:sc= -0.892! USER MOD Set 2.3: B 118 LYS NZ :NH3+ 167:sc= 0.0975 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -77:sc= -5.07! USER MOD Single : A 8 THR OG1 : rot 49:sc= 0.198 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -57:sc= 0.473 USER MOD Single : A 20 TYR OH : rot 150:sc= -0.962 USER MOD Single : A 23 ASN : amide:sc= -0.16 K(o=-0.16,f=-0.92) USER MOD Single : A 25 SER OG : rot 180:sc= -0.232 USER MOD Single : A 29 SER OG : rot 168:sc= 1.16 USER MOD Single : A 30 THR OG1 : rot 102:sc= 1.16 USER MOD Single : A 31 THR OG1 : rot -80:sc= -0.754 USER MOD Single : A 32 MET CE :methyl -171:sc= -16.9! (180deg=-17.6!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -2.55! C(o=-2.5!,f=-2.4!) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.1) USER MOD Single : B 106 THR OG1 : rot -81:sc= -4.17! USER MOD Single : B 108 THR OG1 : rot 53:sc= 0.422 USER MOD Single : B 111 SER OG : rot -33:sc= 0.447 USER MOD Single : B 113 SER OG : rot 124:sc= -1.91! USER MOD Single : B 115 GLN : amide:sc= 0.525 K(o=0.52,f=-1.1) USER MOD Single : B 120 TYR OH : rot -147:sc= 0.294 USER MOD Single : B 123 ASN : amide:sc= -2.29! C(o=-2.3!,f=-14!) USER MOD Single : B 125 SER OG : rot 180:sc= -0.659! USER MOD Single : B 129 SER OG : rot 171:sc= -0.46 USER MOD Single : B 130 THR OG1 : rot 40:sc= 1.16 USER MOD Single : B 131 THR OG1 : rot -150:sc= -1.9 USER MOD Single : B 132 MET CE :methyl 178:sc= -22.6! (180deg=-22.8!) USER MOD Single : B 133 GLN : amide:sc= 0.94 K(o=0.94,f=-6.6!) USER MOD Single : B 134 ASN : amide:sc= -0.551 K(o=-0.55,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -13.047 -13.181 -18.101 1.00 0.00 N ATOM 21 CA LYS A 2 -13.028 -12.684 -16.725 1.00 0.00 C ATOM 22 C LYS A 2 -11.802 -13.220 -15.989 1.00 0.00 C ATOM 23 O LYS A 2 -11.755 -14.389 -15.595 1.00 0.00 O ATOM 24 CB LYS A 2 -14.307 -13.067 -15.974 1.00 0.00 C ATOM 25 CG LYS A 2 -15.565 -12.393 -16.515 1.00 0.00 C ATOM 26 CD LYS A 2 -15.407 -10.877 -16.605 1.00 0.00 C ATOM 27 CE LYS A 2 -16.420 -10.258 -17.558 1.00 0.00 C ATOM 28 NZ LYS A 2 -15.788 -9.855 -18.847 1.00 0.00 N ATOM 0 HA LYS A 2 -12.976 -11.596 -16.762 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.436 -14.148 -16.023 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.191 -12.807 -14.922 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.795 -12.793 -17.503 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.410 -12.632 -15.870 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.526 -10.440 -15.614 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.398 -10.636 -16.940 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.220 -10.972 -17.752 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.877 -9.387 -17.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.508 -9.437 -19.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.041 -9.155 -18.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.374 -10.691 -19.307 1.00 0.00 H new ATOM 42 N GLN A 3 -10.807 -12.358 -15.825 1.00 0.00 N ATOM 43 CA GLN A 3 -9.564 -12.724 -15.160 1.00 0.00 C ATOM 44 C GLN A 3 -9.646 -12.494 -13.664 1.00 0.00 C ATOM 45 O GLN A 3 -9.761 -11.357 -13.201 1.00 0.00 O ATOM 46 CB GLN A 3 -8.380 -11.936 -15.768 1.00 0.00 C ATOM 47 CG GLN A 3 -7.078 -12.064 -14.986 1.00 0.00 C ATOM 48 CD GLN A 3 -5.906 -12.493 -15.844 1.00 0.00 C ATOM 49 OE1 GLN A 3 -5.032 -11.685 -16.182 1.00 0.00 O ATOM 50 NE2 GLN A 3 -5.871 -13.767 -16.190 1.00 0.00 N ATOM 0 H GLN A 3 -10.838 -11.391 -16.147 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.398 -13.789 -15.320 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.214 -12.282 -16.788 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.652 -10.882 -15.829 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.847 -11.107 -14.519 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.215 -12.787 -14.181 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.614 -14.398 -15.889 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.101 -14.120 -16.759 1.00 0.00 H new ATOM 59 N ARG A 4 -9.580 -13.589 -12.905 1.00 0.00 N ATOM 60 CA ARG A 4 -9.649 -13.494 -11.458 1.00 0.00 C ATOM 61 C ARG A 4 -8.315 -13.065 -10.879 1.00 0.00 C ATOM 62 O ARG A 4 -7.421 -13.889 -10.661 1.00 0.00 O ATOM 63 CB ARG A 4 -10.019 -14.838 -10.826 1.00 0.00 C ATOM 64 CG ARG A 4 -10.981 -14.712 -9.662 1.00 0.00 C ATOM 65 CD ARG A 4 -11.487 -16.069 -9.214 1.00 0.00 C ATOM 66 NE ARG A 4 -12.949 -16.150 -9.240 1.00 0.00 N ATOM 67 CZ ARG A 4 -13.677 -16.293 -10.343 1.00 0.00 C ATOM 68 NH1 ARG A 4 -13.100 -16.332 -11.529 1.00 0.00 N ATOM 69 NH2 ARG A 4 -14.987 -16.407 -10.256 1.00 0.00 N ATOM 0 H ARG A 4 -9.480 -14.537 -13.268 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.417 -12.754 -11.232 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.464 -15.479 -11.587 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.110 -15.333 -10.484 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.484 -14.214 -8.829 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -11.824 -14.085 -9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.070 -16.842 -9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.131 -16.272 -8.204 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.443 -16.093 -8.350 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.086 -16.252 -11.606 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.668 -16.442 -12.369 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.441 -16.385 -9.343 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.547 -16.517 -11.102 1.00 0.00 H new ATOM 83 N ILE A 5 -8.196 -11.784 -10.584 1.00 0.00 N ATOM 84 CA ILE A 5 -6.982 -11.283 -9.977 1.00 0.00 C ATOM 85 C ILE A 5 -7.312 -10.799 -8.603 1.00 0.00 C ATOM 86 O ILE A 5 -8.035 -9.823 -8.414 1.00 0.00 O ATOM 87 CB ILE A 5 -6.261 -10.202 -10.810 1.00 0.00 C ATOM 88 CG1 ILE A 5 -6.739 -8.779 -10.492 1.00 0.00 C ATOM 89 CG2 ILE A 5 -6.426 -10.510 -12.282 1.00 0.00 C ATOM 90 CD1 ILE A 5 -8.201 -8.536 -10.787 1.00 0.00 C ATOM 0 H ILE A 5 -8.916 -11.081 -10.753 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.265 -12.103 -9.929 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.205 -10.230 -10.541 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.553 -8.573 -9.438 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.142 -8.070 -11.066 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.918 -9.748 -12.872 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.993 -11.486 -12.500 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.486 -10.518 -12.535 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.457 -7.507 -10.534 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -8.392 -8.708 -11.846 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.810 -9.218 -10.193 1.00 0.00 H new ATOM 102 N THR A 6 -6.838 -11.528 -7.633 1.00 0.00 N ATOM 103 CA THR A 6 -7.144 -11.188 -6.282 1.00 0.00 C ATOM 104 C THR A 6 -5.931 -10.636 -5.557 1.00 0.00 C ATOM 105 O THR A 6 -4.845 -11.210 -5.605 1.00 0.00 O ATOM 106 CB THR A 6 -7.773 -12.381 -5.545 1.00 0.00 C ATOM 107 OG1 THR A 6 -7.308 -12.444 -4.215 1.00 0.00 O ATOM 108 CG2 THR A 6 -7.526 -13.729 -6.201 1.00 0.00 C ATOM 0 H THR A 6 -6.246 -12.350 -7.754 1.00 0.00 H new ATOM 0 HA THR A 6 -7.886 -10.390 -6.295 1.00 0.00 H new ATOM 0 HB THR A 6 -8.846 -12.196 -5.583 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.401 -12.814 -4.203 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.005 -14.513 -5.614 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.942 -13.725 -7.209 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.454 -13.918 -6.252 1.00 0.00 H new ATOM 116 N VAL A 7 -6.147 -9.537 -4.848 1.00 0.00 N ATOM 117 CA VAL A 7 -5.104 -8.901 -4.058 1.00 0.00 C ATOM 118 C VAL A 7 -5.292 -9.329 -2.615 1.00 0.00 C ATOM 119 O VAL A 7 -6.184 -8.836 -1.925 1.00 0.00 O ATOM 120 CB VAL A 7 -5.107 -7.337 -4.198 1.00 0.00 C ATOM 121 CG1 VAL A 7 -6.432 -6.823 -4.743 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.768 -6.617 -2.877 1.00 0.00 C ATOM 0 H VAL A 7 -7.049 -9.062 -4.805 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.130 -9.221 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.318 -7.104 -4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.395 -5.737 -4.825 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.613 -7.256 -5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.238 -7.108 -4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.785 -5.539 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.503 -6.884 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.775 -6.919 -2.543 1.00 0.00 H new ATOM 132 N THR A 8 -4.482 -10.288 -2.178 1.00 0.00 N ATOM 133 CA THR A 8 -4.583 -10.809 -0.830 1.00 0.00 C ATOM 134 C THR A 8 -4.300 -9.708 0.181 1.00 0.00 C ATOM 135 O THR A 8 -3.160 -9.484 0.590 1.00 0.00 O ATOM 136 CB THR A 8 -3.638 -11.991 -0.657 1.00 0.00 C ATOM 137 OG1 THR A 8 -2.331 -11.670 -1.094 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.099 -13.219 -1.407 1.00 0.00 C ATOM 0 H THR A 8 -3.749 -10.717 -2.743 1.00 0.00 H new ATOM 0 HA THR A 8 -5.598 -11.165 -0.654 1.00 0.00 H new ATOM 0 HB THR A 8 -3.636 -12.212 0.410 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.056 -10.814 -0.704 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.389 -14.030 -1.248 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.081 -13.520 -1.043 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.160 -12.993 -2.472 1.00 0.00 H new ATOM 146 N VAL A 9 -5.369 -9.010 0.540 1.00 0.00 N ATOM 147 CA VAL A 9 -5.316 -7.893 1.468 1.00 0.00 C ATOM 148 C VAL A 9 -5.267 -8.357 2.919 1.00 0.00 C ATOM 149 O VAL A 9 -4.511 -9.276 3.244 1.00 0.00 O ATOM 150 CB VAL A 9 -6.522 -6.976 1.251 1.00 0.00 C ATOM 151 CG1 VAL A 9 -6.534 -6.467 -0.173 1.00 0.00 C ATOM 152 CG2 VAL A 9 -7.799 -7.726 1.560 1.00 0.00 C ATOM 0 H VAL A 9 -6.307 -9.207 0.190 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.396 -7.343 1.269 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.450 -6.121 1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.395 -5.815 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.619 -5.908 -0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.597 -7.311 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.654 -7.068 1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.881 -8.591 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.783 -8.060 2.597 1.00 0.00 H new ATOM 162 N ASP A 10 -6.029 -7.686 3.807 1.00 0.00 N ATOM 163 CA ASP A 10 -6.014 -8.001 5.229 1.00 0.00 C ATOM 164 C ASP A 10 -4.801 -7.307 5.873 1.00 0.00 C ATOM 165 O ASP A 10 -4.677 -7.237 7.098 1.00 0.00 O ATOM 166 CB ASP A 10 -5.999 -9.522 5.439 1.00 0.00 C ATOM 167 CG ASP A 10 -6.285 -9.945 6.866 1.00 0.00 C ATOM 168 OD1 ASP A 10 -7.184 -9.355 7.495 1.00 0.00 O ATOM 169 OD2 ASP A 10 -5.614 -10.883 7.347 1.00 0.00 O ATOM 0 H ASP A 10 -6.658 -6.925 3.553 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.918 -7.630 5.712 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.738 -9.978 4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.025 -9.911 5.143 1.00 0.00 H new ATOM 174 N SER A 11 -3.917 -6.772 5.013 1.00 0.00 N ATOM 175 CA SER A 11 -2.726 -6.058 5.440 1.00 0.00 C ATOM 176 C SER A 11 -2.737 -4.615 4.906 1.00 0.00 C ATOM 177 O SER A 11 -2.838 -3.680 5.696 1.00 0.00 O ATOM 178 CB SER A 11 -1.464 -6.793 4.971 1.00 0.00 C ATOM 179 OG SER A 11 -1.410 -8.114 5.493 1.00 0.00 O ATOM 0 H SER A 11 -4.019 -6.829 4.000 1.00 0.00 H new ATOM 0 HA SER A 11 -2.721 -6.020 6.529 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.446 -6.829 3.882 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.580 -6.239 5.286 1.00 0.00 H new ATOM 0 HG SER A 11 -0.596 -8.558 5.176 1.00 0.00 H new ATOM 185 N ASP A 12 -2.572 -4.428 3.576 1.00 0.00 N ATOM 186 CA ASP A 12 -2.509 -3.074 3.000 1.00 0.00 C ATOM 187 C ASP A 12 -3.677 -2.161 3.423 1.00 0.00 C ATOM 188 O ASP A 12 -3.549 -1.430 4.408 1.00 0.00 O ATOM 189 CB ASP A 12 -2.381 -3.126 1.480 1.00 0.00 C ATOM 190 CG ASP A 12 -1.084 -2.522 0.991 1.00 0.00 C ATOM 191 OD1 ASP A 12 -1.009 -1.281 0.898 1.00 0.00 O ATOM 192 OD2 ASP A 12 -0.146 -3.289 0.701 1.00 0.00 O ATOM 0 H ASP A 12 -2.482 -5.184 2.897 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.609 -2.620 3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.444 -4.162 1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.219 -2.595 1.029 1.00 0.00 H new ATOM 197 N SER A 13 -4.803 -2.146 2.682 1.00 0.00 N ATOM 198 CA SER A 13 -5.926 -1.256 3.031 1.00 0.00 C ATOM 199 C SER A 13 -7.124 -1.463 2.089 1.00 0.00 C ATOM 200 O SER A 13 -7.710 -0.505 1.581 1.00 0.00 O ATOM 201 CB SER A 13 -5.470 0.196 2.935 1.00 0.00 C ATOM 202 OG SER A 13 -6.486 1.085 3.375 1.00 0.00 O ATOM 0 H SER A 13 -4.957 -2.726 1.857 1.00 0.00 H new ATOM 0 HA SER A 13 -6.240 -1.495 4.047 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.573 0.338 3.538 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.202 0.428 1.904 1.00 0.00 H new ATOM 0 HG SER A 13 -7.298 0.941 2.846 1.00 0.00 H new ATOM 208 N TYR A 14 -7.480 -2.719 1.879 1.00 0.00 N ATOM 209 CA TYR A 14 -8.598 -3.095 1.005 1.00 0.00 C ATOM 210 C TYR A 14 -9.955 -2.957 1.678 1.00 0.00 C ATOM 211 O TYR A 14 -10.908 -2.464 1.068 1.00 0.00 O ATOM 212 CB TYR A 14 -8.411 -4.528 0.566 1.00 0.00 C ATOM 213 CG TYR A 14 -9.666 -5.354 0.630 1.00 0.00 C ATOM 214 CD1 TYR A 14 -10.517 -5.415 -0.447 1.00 0.00 C ATOM 215 CD2 TYR A 14 -9.973 -6.089 1.759 1.00 0.00 C ATOM 216 CE1 TYR A 14 -11.650 -6.196 -0.414 1.00 0.00 C ATOM 217 CE2 TYR A 14 -11.097 -6.867 1.817 1.00 0.00 C ATOM 218 CZ TYR A 14 -11.939 -6.926 0.728 1.00 0.00 C ATOM 219 OH TYR A 14 -13.066 -7.722 0.783 1.00 0.00 O ATOM 0 H TYR A 14 -7.006 -3.514 2.307 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.590 -2.411 0.156 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.033 -4.538 -0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.649 -4.993 1.192 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.293 -4.841 -1.334 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.313 -6.049 2.613 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.307 -6.239 -1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.323 -7.431 2.710 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.819 -8.618 1.094 1.00 0.00 H new ATOM 229 N GLN A 15 -10.059 -3.465 2.902 1.00 0.00 N ATOM 230 CA GLN A 15 -11.328 -3.468 3.612 1.00 0.00 C ATOM 231 C GLN A 15 -12.020 -2.094 3.596 1.00 0.00 C ATOM 232 O GLN A 15 -13.232 -2.037 3.440 1.00 0.00 O ATOM 233 CB GLN A 15 -11.139 -3.964 5.049 1.00 0.00 C ATOM 234 CG GLN A 15 -10.716 -5.427 5.144 1.00 0.00 C ATOM 235 CD GLN A 15 -11.868 -6.362 5.473 1.00 0.00 C ATOM 236 OE1 GLN A 15 -12.409 -7.033 4.593 1.00 0.00 O ATOM 237 NE2 GLN A 15 -12.250 -6.415 6.738 1.00 0.00 N ATOM 0 H GLN A 15 -9.282 -3.877 3.419 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.986 -4.157 3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.388 -3.346 5.541 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.072 -3.829 5.596 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.268 -5.731 4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.945 -5.527 5.908 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.777 -5.844 7.438 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.018 -7.027 7.014 1.00 0.00 H new ATOM 246 N LEU A 16 -11.263 -0.998 3.744 1.00 0.00 N ATOM 247 CA LEU A 16 -11.848 0.362 3.736 1.00 0.00 C ATOM 248 C LEU A 16 -12.656 0.648 2.461 1.00 0.00 C ATOM 249 O LEU A 16 -13.820 1.038 2.529 1.00 0.00 O ATOM 250 CB LEU A 16 -10.747 1.420 3.875 1.00 0.00 C ATOM 251 CG LEU A 16 -10.806 2.258 5.154 1.00 0.00 C ATOM 252 CD1 LEU A 16 -9.483 2.964 5.394 1.00 0.00 C ATOM 253 CD2 LEU A 16 -11.938 3.268 5.080 1.00 0.00 C ATOM 0 H LEU A 16 -10.251 -1.019 3.870 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.528 0.411 4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.779 0.921 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.800 2.091 3.017 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.996 1.587 5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.546 3.554 6.308 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.689 2.224 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.263 3.621 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.963 3.854 5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.778 3.932 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.886 2.744 4.958 1.00 0.00 H new ATOM 265 N LEU A 17 -12.001 0.494 1.311 1.00 0.00 N ATOM 266 CA LEU A 17 -12.642 0.784 0.012 1.00 0.00 C ATOM 267 C LEU A 17 -14.041 0.192 -0.064 1.00 0.00 C ATOM 268 O LEU A 17 -15.016 0.873 -0.368 1.00 0.00 O ATOM 269 CB LEU A 17 -11.850 0.197 -1.142 1.00 0.00 C ATOM 270 CG LEU A 17 -11.375 1.205 -2.182 1.00 0.00 C ATOM 271 CD1 LEU A 17 -12.534 1.628 -3.065 1.00 0.00 C ATOM 272 CD2 LEU A 17 -10.745 2.409 -1.504 1.00 0.00 C ATOM 0 H LEU A 17 -11.035 0.173 1.243 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.682 1.871 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.980 -0.322 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.465 -0.552 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.618 0.735 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.184 2.348 -3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.942 0.754 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.310 2.086 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.411 3.119 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.480 2.887 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.892 2.086 -0.908 1.00 0.00 H new ATOM 284 N LYS A 18 -14.116 -1.084 0.215 1.00 0.00 N ATOM 285 CA LYS A 18 -15.376 -1.802 0.184 1.00 0.00 C ATOM 286 C LYS A 18 -16.181 -1.534 1.447 1.00 0.00 C ATOM 287 O LYS A 18 -17.411 -1.570 1.435 1.00 0.00 O ATOM 288 CB LYS A 18 -15.115 -3.281 -0.002 1.00 0.00 C ATOM 289 CG LYS A 18 -14.214 -3.850 1.063 1.00 0.00 C ATOM 290 CD LYS A 18 -14.578 -5.289 1.347 1.00 0.00 C ATOM 291 CE LYS A 18 -14.261 -5.674 2.775 1.00 0.00 C ATOM 292 NZ LYS A 18 -14.123 -7.146 2.925 1.00 0.00 N ATOM 0 H LYS A 18 -13.312 -1.658 0.470 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.969 -1.448 -0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.064 -3.817 0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.664 -3.446 -0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.175 -3.788 0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.300 -3.259 1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.641 -5.440 1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.036 -5.943 0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.337 -5.187 3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.050 -5.313 3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.532 -7.357 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.063 -7.572 3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.677 -7.541 2.073 1.00 0.00 H new ATOM 306 N ALA A 19 -15.466 -1.215 2.518 1.00 0.00 N ATOM 307 CA ALA A 19 -16.088 -0.875 3.790 1.00 0.00 C ATOM 308 C ALA A 19 -16.940 0.373 3.614 1.00 0.00 C ATOM 309 O ALA A 19 -17.882 0.603 4.372 1.00 0.00 O ATOM 310 CB ALA A 19 -15.042 -0.659 4.876 1.00 0.00 C ATOM 0 H ALA A 19 -14.447 -1.185 2.530 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.719 -1.706 4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.538 -0.407 5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.460 -1.571 5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.379 0.156 4.585 1.00 0.00 H new ATOM 316 N TYR A 20 -16.619 1.169 2.583 1.00 0.00 N ATOM 317 CA TYR A 20 -17.384 2.357 2.305 1.00 0.00 C ATOM 318 C TYR A 20 -18.555 2.005 1.392 1.00 0.00 C ATOM 319 O TYR A 20 -19.669 2.445 1.666 1.00 0.00 O ATOM 320 CB TYR A 20 -16.505 3.521 1.774 1.00 0.00 C ATOM 321 CG TYR A 20 -16.038 3.472 0.324 1.00 0.00 C ATOM 322 CD1 TYR A 20 -16.899 3.185 -0.728 1.00 0.00 C ATOM 323 CD2 TYR A 20 -14.705 3.737 0.017 1.00 0.00 C ATOM 324 CE1 TYR A 20 -16.446 3.150 -2.035 1.00 0.00 C ATOM 325 CE2 TYR A 20 -14.250 3.708 -1.283 1.00 0.00 C ATOM 326 CZ TYR A 20 -15.123 3.408 -2.304 1.00 0.00 C ATOM 327 OH TYR A 20 -14.672 3.377 -3.603 1.00 0.00 O ATOM 0 H TYR A 20 -15.842 1.001 1.945 1.00 0.00 H new ATOM 0 HA TYR A 20 -17.797 2.739 3.239 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -17.062 4.448 1.913 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -15.619 3.584 2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.940 2.986 -0.522 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -14.015 3.970 0.814 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.129 2.921 -2.840 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.213 3.920 -1.500 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.925 4.003 -3.705 1.00 0.00 H new ATOM 337 N ASP A 21 -18.328 1.172 0.341 1.00 0.00 N ATOM 338 CA ASP A 21 -19.448 0.763 -0.545 1.00 0.00 C ATOM 339 C ASP A 21 -19.004 0.150 -1.877 1.00 0.00 C ATOM 340 O ASP A 21 -19.771 0.160 -2.844 1.00 0.00 O ATOM 341 CB ASP A 21 -20.361 1.963 -0.858 1.00 0.00 C ATOM 342 CG ASP A 21 -21.834 1.634 -0.709 1.00 0.00 C ATOM 343 OD1 ASP A 21 -22.261 1.304 0.416 1.00 0.00 O ATOM 344 OD2 ASP A 21 -22.561 1.711 -1.720 1.00 0.00 O ATOM 0 H ASP A 21 -17.417 0.784 0.094 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.978 -0.007 0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -20.109 2.789 -0.193 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -20.170 2.303 -1.876 1.00 0.00 H new ATOM 349 N VAL A 22 -17.786 -0.365 -1.966 1.00 0.00 N ATOM 350 CA VAL A 22 -17.323 -0.921 -3.234 1.00 0.00 C ATOM 351 C VAL A 22 -16.261 -1.994 -3.094 1.00 0.00 C ATOM 352 O VAL A 22 -15.083 -1.680 -2.896 1.00 0.00 O ATOM 353 CB VAL A 22 -16.753 0.208 -4.123 1.00 0.00 C ATOM 354 CG1 VAL A 22 -16.061 -0.357 -5.355 1.00 0.00 C ATOM 355 CG2 VAL A 22 -17.845 1.183 -4.534 1.00 0.00 C ATOM 0 H VAL A 22 -17.115 -0.411 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 22 -18.198 -1.391 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.013 0.747 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.671 0.461 -5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.240 -1.004 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -16.776 -0.933 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.417 1.967 -5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -18.615 0.652 -5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -18.288 1.630 -3.644 1.00 0.00 H new ATOM 365 N ASN A 23 -16.667 -3.265 -3.228 1.00 0.00 N ATOM 366 CA ASN A 23 -15.717 -4.385 -3.174 1.00 0.00 C ATOM 367 C ASN A 23 -14.781 -4.308 -4.387 1.00 0.00 C ATOM 368 O ASN A 23 -14.613 -5.271 -5.132 1.00 0.00 O ATOM 369 CB ASN A 23 -16.442 -5.728 -3.167 1.00 0.00 C ATOM 370 CG ASN A 23 -16.983 -6.091 -1.802 1.00 0.00 C ATOM 371 OD1 ASN A 23 -16.245 -6.547 -0.933 1.00 0.00 O ATOM 372 ND2 ASN A 23 -18.276 -5.894 -1.602 1.00 0.00 N ATOM 0 H ASN A 23 -17.638 -3.541 -3.373 1.00 0.00 H new ATOM 0 HA ASN A 23 -15.143 -4.309 -2.250 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -17.264 -5.697 -3.883 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -15.758 -6.508 -3.501 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -18.693 -6.123 -0.700 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -18.856 -5.513 -2.350 1.00 0.00 H new ATOM 379 N ILE A 24 -14.193 -3.126 -4.536 1.00 0.00 N ATOM 380 CA ILE A 24 -13.258 -2.715 -5.558 1.00 0.00 C ATOM 381 C ILE A 24 -13.406 -3.239 -6.988 1.00 0.00 C ATOM 382 O ILE A 24 -12.616 -2.843 -7.845 1.00 0.00 O ATOM 383 CB ILE A 24 -11.852 -2.888 -5.070 1.00 0.00 C ATOM 384 CG1 ILE A 24 -11.694 -4.188 -4.299 1.00 0.00 C ATOM 385 CG2 ILE A 24 -11.477 -1.686 -4.218 1.00 0.00 C ATOM 386 CD1 ILE A 24 -11.924 -5.380 -5.169 1.00 0.00 C ATOM 0 H ILE A 24 -14.381 -2.367 -3.881 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.532 -1.669 -5.697 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.176 -2.946 -5.923 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.693 -4.238 -3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.397 -4.205 -3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.455 -1.801 -3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -11.551 -0.778 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -12.156 -1.616 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.802 -6.289 -4.580 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.935 -5.344 -5.576 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.204 -5.378 -5.987 1.00 0.00 H new ATOM 398 N SER A 25 -14.362 -4.108 -7.253 1.00 0.00 N ATOM 399 CA SER A 25 -14.545 -4.653 -8.606 1.00 0.00 C ATOM 400 C SER A 25 -14.287 -3.562 -9.657 1.00 0.00 C ATOM 401 O SER A 25 -13.401 -3.710 -10.507 1.00 0.00 O ATOM 402 CB SER A 25 -15.961 -5.231 -8.756 1.00 0.00 C ATOM 403 OG SER A 25 -16.719 -4.548 -9.745 1.00 0.00 O ATOM 0 H SER A 25 -15.026 -4.457 -6.562 1.00 0.00 H new ATOM 0 HA SER A 25 -13.827 -5.457 -8.764 1.00 0.00 H new ATOM 0 HB2 SER A 25 -15.894 -6.287 -9.017 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.479 -5.171 -7.799 1.00 0.00 H new ATOM 0 HG SER A 25 -17.611 -4.949 -9.808 1.00 0.00 H new ATOM 409 N GLY A 26 -15.040 -2.461 -9.569 1.00 0.00 N ATOM 410 CA GLY A 26 -14.861 -1.350 -10.495 1.00 0.00 C ATOM 411 C GLY A 26 -13.692 -0.447 -10.118 1.00 0.00 C ATOM 412 O GLY A 26 -13.066 0.155 -10.994 1.00 0.00 O ATOM 0 H GLY A 26 -15.771 -2.320 -8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.701 -1.743 -11.499 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.776 -0.758 -10.526 1.00 0.00 H new ATOM 416 N LEU A 27 -13.388 -0.355 -8.816 1.00 0.00 N ATOM 417 CA LEU A 27 -12.280 0.469 -8.336 1.00 0.00 C ATOM 418 C LEU A 27 -10.970 -0.027 -8.935 1.00 0.00 C ATOM 419 O LEU A 27 -10.262 0.728 -9.589 1.00 0.00 O ATOM 420 CB LEU A 27 -12.212 0.440 -6.804 1.00 0.00 C ATOM 421 CG LEU A 27 -10.952 1.048 -6.172 1.00 0.00 C ATOM 422 CD1 LEU A 27 -9.820 0.034 -6.168 1.00 0.00 C ATOM 423 CD2 LEU A 27 -10.533 2.316 -6.901 1.00 0.00 C ATOM 0 H LEU A 27 -13.897 -0.843 -8.079 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.446 1.499 -8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.081 0.968 -6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.294 -0.596 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.184 1.315 -5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.934 0.480 -5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.118 -0.842 -5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.595 -0.264 -7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.638 2.726 -6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.322 2.083 -7.945 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.338 3.049 -6.848 1.00 0.00 H new ATOM 435 N VAL A 28 -10.672 -1.309 -8.722 1.00 0.00 N ATOM 436 CA VAL A 28 -9.460 -1.924 -9.262 1.00 0.00 C ATOM 437 C VAL A 28 -9.280 -1.525 -10.734 1.00 0.00 C ATOM 438 O VAL A 28 -8.377 -0.766 -11.079 1.00 0.00 O ATOM 439 CB VAL A 28 -9.534 -3.462 -9.131 1.00 0.00 C ATOM 440 CG1 VAL A 28 -8.315 -4.124 -9.752 1.00 0.00 C ATOM 441 CG2 VAL A 28 -9.681 -3.866 -7.670 1.00 0.00 C ATOM 0 H VAL A 28 -11.256 -1.943 -8.177 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.602 -1.568 -8.692 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.414 -3.806 -9.675 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.394 -5.206 -9.645 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.261 -3.867 -10.810 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.414 -3.775 -9.247 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.732 -4.952 -7.596 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.823 -3.503 -7.104 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.594 -3.432 -7.263 1.00 0.00 H new ATOM 451 N SER A 29 -10.182 -2.021 -11.578 1.00 0.00 N ATOM 452 CA SER A 29 -10.201 -1.722 -13.007 1.00 0.00 C ATOM 453 C SER A 29 -10.134 -0.213 -13.299 1.00 0.00 C ATOM 454 O SER A 29 -9.404 0.212 -14.198 1.00 0.00 O ATOM 455 CB SER A 29 -11.475 -2.300 -13.628 1.00 0.00 C ATOM 456 OG SER A 29 -12.620 -2.021 -12.841 1.00 0.00 O ATOM 0 H SER A 29 -10.930 -2.650 -11.284 1.00 0.00 H new ATOM 0 HA SER A 29 -9.313 -2.178 -13.445 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.612 -1.886 -14.627 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.367 -3.379 -13.742 1.00 0.00 H new ATOM 0 HG SER A 29 -13.429 -2.224 -13.356 1.00 0.00 H new ATOM 462 N THR A 30 -10.875 0.602 -12.536 1.00 0.00 N ATOM 463 CA THR A 30 -10.868 2.047 -12.734 1.00 0.00 C ATOM 464 C THR A 30 -9.506 2.579 -12.384 1.00 0.00 C ATOM 465 O THR A 30 -8.828 3.198 -13.210 1.00 0.00 O ATOM 466 CB THR A 30 -11.922 2.732 -11.862 1.00 0.00 C ATOM 467 OG1 THR A 30 -13.223 2.306 -12.212 1.00 0.00 O ATOM 468 CG2 THR A 30 -11.889 4.241 -11.959 1.00 0.00 C ATOM 0 H THR A 30 -11.482 0.282 -11.781 1.00 0.00 H new ATOM 0 HA THR A 30 -11.104 2.257 -13.777 1.00 0.00 H new ATOM 0 HB THR A 30 -11.678 2.444 -10.839 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.537 1.644 -11.561 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.661 4.664 -11.316 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.912 4.605 -11.640 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.070 4.543 -12.991 1.00 0.00 H new ATOM 476 N THR A 31 -9.102 2.309 -11.148 1.00 0.00 N ATOM 477 CA THR A 31 -7.812 2.731 -10.674 1.00 0.00 C ATOM 478 C THR A 31 -6.746 2.253 -11.646 1.00 0.00 C ATOM 479 O THR A 31 -5.819 2.989 -11.981 1.00 0.00 O ATOM 480 CB THR A 31 -7.545 2.223 -9.249 1.00 0.00 C ATOM 481 OG1 THR A 31 -7.692 3.272 -8.311 1.00 0.00 O ATOM 482 CG2 THR A 31 -6.163 1.640 -9.047 1.00 0.00 C ATOM 0 H THR A 31 -9.659 1.798 -10.463 1.00 0.00 H new ATOM 0 HA THR A 31 -7.786 3.820 -10.626 1.00 0.00 H new ATOM 0 HB THR A 31 -8.278 1.431 -9.098 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.880 3.820 -8.304 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.057 1.305 -8.015 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.023 0.794 -9.719 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.412 2.401 -9.261 1.00 0.00 H new ATOM 490 N MET A 32 -6.910 1.015 -12.111 1.00 0.00 N ATOM 491 CA MET A 32 -5.997 0.421 -13.066 1.00 0.00 C ATOM 492 C MET A 32 -5.730 1.357 -14.234 1.00 0.00 C ATOM 493 O MET A 32 -4.591 1.586 -14.575 1.00 0.00 O ATOM 494 CB MET A 32 -6.563 -0.892 -13.583 1.00 0.00 C ATOM 495 CG MET A 32 -5.843 -2.100 -13.036 1.00 0.00 C ATOM 496 SD MET A 32 -6.948 -3.220 -12.176 1.00 0.00 S ATOM 497 CE MET A 32 -5.745 -4.297 -11.427 1.00 0.00 C ATOM 0 H MET A 32 -7.678 0.404 -11.833 1.00 0.00 H new ATOM 0 HA MET A 32 -5.053 0.236 -12.553 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.619 -0.955 -13.320 1.00 0.00 H new ATOM 0 HB3 MET A 32 -6.505 -0.903 -14.671 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.356 -2.631 -13.854 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.057 -1.774 -12.355 1.00 0.00 H new ATOM 0 HE1 MET A 32 -6.251 -5.153 -10.981 1.00 0.00 H new ATOM 0 HE2 MET A 32 -5.045 -4.645 -12.187 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.201 -3.754 -10.654 1.00 0.00 H new ATOM 507 N GLN A 33 -6.778 1.907 -14.846 1.00 0.00 N ATOM 508 CA GLN A 33 -6.581 2.825 -15.972 1.00 0.00 C ATOM 509 C GLN A 33 -5.711 4.005 -15.549 1.00 0.00 C ATOM 510 O GLN A 33 -4.775 4.381 -16.257 1.00 0.00 O ATOM 511 CB GLN A 33 -7.926 3.308 -16.532 1.00 0.00 C ATOM 512 CG GLN A 33 -8.106 4.826 -16.548 1.00 0.00 C ATOM 513 CD GLN A 33 -9.165 5.284 -17.533 1.00 0.00 C ATOM 514 OE1 GLN A 33 -8.862 5.644 -18.667 1.00 0.00 O ATOM 515 NE2 GLN A 33 -10.418 5.279 -17.102 1.00 0.00 N ATOM 0 H GLN A 33 -7.751 1.740 -14.591 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.066 2.285 -16.767 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.036 2.933 -17.549 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.729 2.867 -15.941 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.376 5.165 -15.548 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.156 5.297 -16.799 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.629 4.973 -16.152 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.171 5.582 -17.720 1.00 0.00 H new ATOM 524 N ASN A 34 -6.009 4.577 -14.387 1.00 0.00 N ATOM 525 CA ASN A 34 -5.228 5.700 -13.884 1.00 0.00 C ATOM 526 C ASN A 34 -3.806 5.234 -13.575 1.00 0.00 C ATOM 527 O ASN A 34 -2.835 5.819 -14.066 1.00 0.00 O ATOM 528 CB ASN A 34 -5.928 6.343 -12.663 1.00 0.00 C ATOM 529 CG ASN A 34 -5.203 6.154 -11.343 1.00 0.00 C ATOM 530 OD1 ASN A 34 -4.056 6.563 -11.185 1.00 0.00 O ATOM 531 ND2 ASN A 34 -5.883 5.557 -10.380 1.00 0.00 N ATOM 0 H ASN A 34 -6.777 4.285 -13.782 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.160 6.477 -14.645 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.044 7.411 -12.849 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.931 5.924 -12.574 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.457 5.421 -9.463 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.834 5.232 -10.553 1.00 0.00 H new ATOM 538 N GLU A 35 -3.694 4.159 -12.797 1.00 0.00 N ATOM 539 CA GLU A 35 -2.394 3.590 -12.457 1.00 0.00 C ATOM 540 C GLU A 35 -1.697 3.056 -13.709 1.00 0.00 C ATOM 541 O GLU A 35 -0.478 3.027 -13.784 1.00 0.00 O ATOM 542 CB GLU A 35 -2.558 2.476 -11.423 1.00 0.00 C ATOM 543 CG GLU A 35 -2.344 2.946 -9.994 1.00 0.00 C ATOM 544 CD GLU A 35 -0.883 3.139 -9.649 1.00 0.00 C ATOM 545 OE1 GLU A 35 -0.243 4.034 -10.242 1.00 0.00 O ATOM 546 OE2 GLU A 35 -0.378 2.399 -8.782 1.00 0.00 O ATOM 0 H GLU A 35 -4.489 3.665 -12.391 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.774 4.377 -12.028 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.558 2.051 -11.512 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.851 1.677 -11.645 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.875 3.886 -9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.781 2.219 -9.309 1.00 0.00 H new ATOM 553 N ALA A 36 -2.479 2.645 -14.695 1.00 0.00 N ATOM 554 CA ALA A 36 -1.945 2.127 -15.946 1.00 0.00 C ATOM 555 C ALA A 36 -1.335 3.249 -16.769 1.00 0.00 C ATOM 556 O ALA A 36 -0.233 3.116 -17.306 1.00 0.00 O ATOM 557 CB ALA A 36 -3.045 1.438 -16.733 1.00 0.00 C ATOM 0 H ALA A 36 -3.498 2.661 -14.652 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.164 1.402 -15.719 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.637 1.053 -17.668 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.450 0.613 -16.147 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.839 2.152 -16.950 1.00 0.00 H new ATOM 563 N ARG A 37 -2.052 4.363 -16.867 1.00 0.00 N ATOM 564 CA ARG A 37 -1.558 5.499 -17.623 1.00 0.00 C ATOM 565 C ARG A 37 -0.442 6.199 -16.890 1.00 0.00 C ATOM 566 O ARG A 37 0.641 6.412 -17.435 1.00 0.00 O ATOM 567 CB ARG A 37 -2.649 6.518 -17.839 1.00 0.00 C ATOM 568 CG ARG A 37 -3.079 6.660 -19.282 1.00 0.00 C ATOM 569 CD ARG A 37 -3.672 8.028 -19.542 1.00 0.00 C ATOM 570 NE ARG A 37 -2.720 8.917 -20.221 1.00 0.00 N ATOM 571 CZ ARG A 37 -2.708 10.239 -20.102 1.00 0.00 C ATOM 572 NH1 ARG A 37 -3.587 10.850 -19.333 1.00 0.00 N ATOM 573 NH2 ARG A 37 -1.808 10.951 -20.752 1.00 0.00 N ATOM 0 H ARG A 37 -2.967 4.500 -16.436 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.202 5.106 -18.575 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.515 6.241 -17.238 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.305 7.486 -17.476 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.223 6.501 -19.937 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.812 5.891 -19.524 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.570 7.925 -20.151 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.978 8.477 -18.597 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.019 8.489 -20.826 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.284 10.307 -18.823 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.570 11.866 -19.247 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.122 10.486 -21.346 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.798 11.967 -20.661 1.00 0.00 H new ATOM 587 N ARG A 38 -0.741 6.618 -15.668 1.00 0.00 N ATOM 588 CA ARG A 38 0.219 7.362 -14.884 1.00 0.00 C ATOM 589 C ARG A 38 1.235 6.480 -14.134 1.00 0.00 C ATOM 590 O ARG A 38 2.375 6.902 -13.940 1.00 0.00 O ATOM 591 CB ARG A 38 -0.500 8.285 -13.895 1.00 0.00 C ATOM 592 CG ARG A 38 -0.125 9.754 -14.053 1.00 0.00 C ATOM 593 CD ARG A 38 0.971 10.156 -13.081 1.00 0.00 C ATOM 594 NE ARG A 38 1.455 11.521 -13.318 1.00 0.00 N ATOM 595 CZ ARG A 38 2.374 12.124 -12.571 1.00 0.00 C ATOM 596 NH1 ARG A 38 2.889 11.512 -11.518 1.00 0.00 N ATOM 597 NH2 ARG A 38 2.773 13.344 -12.870 1.00 0.00 N ATOM 0 H ARG A 38 -1.635 6.454 -15.206 1.00 0.00 H new ATOM 0 HA ARG A 38 0.794 7.950 -15.600 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.577 8.177 -14.026 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.269 7.966 -12.879 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.208 9.938 -15.075 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.005 10.375 -13.888 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.595 10.079 -12.061 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.804 9.458 -13.167 1.00 0.00 H new ATOM 0 HE ARG A 38 1.062 12.039 -14.104 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.581 10.571 -11.274 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.594 11.981 -10.950 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.376 13.827 -13.676 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.478 13.805 -12.295 1.00 0.00 H new ATOM 1184 N LYS B 102 -4.537 -12.946 5.539 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.634 -12.388 4.186 1.00 0.00 C ATOM 1186 C LYS B 102 -6.060 -12.516 3.651 1.00 0.00 C ATOM 1187 O LYS B 102 -6.709 -13.548 3.844 1.00 0.00 O ATOM 1188 CB LYS B 102 -3.662 -13.102 3.237 1.00 0.00 C ATOM 1189 CG LYS B 102 -2.431 -12.277 2.889 1.00 0.00 C ATOM 1190 CD LYS B 102 -1.165 -12.886 3.476 1.00 0.00 C ATOM 1191 CE LYS B 102 -0.235 -11.813 4.021 1.00 0.00 C ATOM 1192 NZ LYS B 102 0.889 -12.402 4.806 1.00 0.00 N ATOM 0 HA LYS B 102 -4.369 -11.332 4.238 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -3.343 -14.039 3.694 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.188 -13.359 2.318 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -2.333 -12.207 1.806 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -2.555 -11.261 3.264 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -1.429 -13.580 4.274 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -0.648 -13.463 2.710 1.00 0.00 H new ATOM 0 HE2 LYS B 102 0.167 -11.226 3.195 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -0.801 -11.128 4.653 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 1.501 -11.640 5.161 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 0.507 -12.941 5.609 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 1.444 -13.036 4.196 1.00 0.00 H new ATOM 1206 N GLN B 103 -6.546 -11.479 2.970 1.00 0.00 N ATOM 1207 CA GLN B 103 -7.896 -11.512 2.410 1.00 0.00 C ATOM 1208 C GLN B 103 -7.869 -11.480 0.890 1.00 0.00 C ATOM 1209 O GLN B 103 -7.399 -10.520 0.278 1.00 0.00 O ATOM 1210 CB GLN B 103 -8.763 -10.365 2.970 1.00 0.00 C ATOM 1211 CG GLN B 103 -10.027 -10.093 2.157 1.00 0.00 C ATOM 1212 CD GLN B 103 -11.234 -10.873 2.646 1.00 0.00 C ATOM 1213 OE1 GLN B 103 -11.399 -11.103 3.840 1.00 0.00 O ATOM 1214 NE2 GLN B 103 -12.087 -11.286 1.721 1.00 0.00 N ATOM 0 H GLN B 103 -6.032 -10.616 2.794 1.00 0.00 H new ATOM 0 HA GLN B 103 -8.351 -12.455 2.714 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -9.046 -10.604 3.995 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -8.164 -9.455 3.008 1.00 0.00 H new ATOM 0 HG2 GLN B 103 -10.252 -9.027 2.194 1.00 0.00 H new ATOM 0 HG3 GLN B 103 -9.840 -10.343 1.113 1.00 0.00 H new ATOM 0 HE21 GLN B 103 -11.915 -11.075 0.738 1.00 0.00 H new ATOM 0 HE22 GLN B 103 -12.916 -11.815 1.992 1.00 0.00 H new ATOM 1223 N ARG B 104 -8.368 -12.555 0.291 1.00 0.00 N ATOM 1224 CA ARG B 104 -8.390 -12.671 -1.156 1.00 0.00 C ATOM 1225 C ARG B 104 -9.535 -11.888 -1.773 1.00 0.00 C ATOM 1226 O ARG B 104 -10.692 -12.307 -1.726 1.00 0.00 O ATOM 1227 CB ARG B 104 -8.511 -14.131 -1.587 1.00 0.00 C ATOM 1228 CG ARG B 104 -7.555 -14.496 -2.704 1.00 0.00 C ATOM 1229 CD ARG B 104 -7.353 -15.989 -2.797 1.00 0.00 C ATOM 1230 NE ARG B 104 -5.938 -16.365 -2.669 1.00 0.00 N ATOM 1231 CZ ARG B 104 -5.204 -16.209 -1.569 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -5.734 -15.722 -0.465 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -3.932 -16.558 -1.572 1.00 0.00 N ATOM 0 H ARG B 104 -8.761 -13.355 0.786 1.00 0.00 H new ATOM 0 HA ARG B 104 -7.447 -12.256 -1.511 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -8.322 -14.775 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -9.533 -14.325 -1.912 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -7.942 -14.121 -3.652 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -6.595 -14.008 -2.536 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -7.931 -16.482 -2.015 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -7.738 -16.348 -3.752 1.00 0.00 H new ATOM 0 HE ARG B 104 -5.484 -16.777 -3.484 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -6.719 -15.459 -0.445 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -5.159 -15.608 0.370 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -3.512 -16.947 -2.416 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -3.369 -16.439 -0.730 1.00 0.00 H new ATOM 1247 N ILE B 105 -9.195 -10.776 -2.396 1.00 0.00 N ATOM 1248 CA ILE B 105 -10.178 -9.959 -3.084 1.00 0.00 C ATOM 1249 C ILE B 105 -9.843 -9.988 -4.557 1.00 0.00 C ATOM 1250 O ILE B 105 -8.766 -9.559 -4.954 1.00 0.00 O ATOM 1251 CB ILE B 105 -10.212 -8.507 -2.563 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -9.134 -7.653 -3.231 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -10.030 -8.508 -1.058 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -9.365 -6.173 -3.126 1.00 0.00 C ATOM 0 H ILE B 105 -8.242 -10.416 -2.440 1.00 0.00 H new ATOM 0 HA ILE B 105 -11.172 -10.366 -2.899 1.00 0.00 H new ATOM 0 HB ILE B 105 -11.179 -8.070 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -8.169 -7.891 -2.783 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -9.072 -7.925 -4.285 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -10.054 -7.483 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -10.834 -9.080 -0.595 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -9.071 -8.962 -0.808 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -8.555 -5.642 -3.626 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -10.313 -5.918 -3.600 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -9.396 -5.883 -2.076 1.00 0.00 H new ATOM 1266 N THR B 106 -10.717 -10.542 -5.366 1.00 0.00 N ATOM 1267 CA THR B 106 -10.422 -10.645 -6.781 1.00 0.00 C ATOM 1268 C THR B 106 -11.496 -10.006 -7.651 1.00 0.00 C ATOM 1269 O THR B 106 -12.681 -10.310 -7.521 1.00 0.00 O ATOM 1270 CB THR B 106 -10.192 -12.118 -7.195 1.00 0.00 C ATOM 1271 OG1 THR B 106 -10.687 -12.344 -8.498 1.00 0.00 O ATOM 1272 CG2 THR B 106 -10.818 -13.168 -6.274 1.00 0.00 C ATOM 0 H THR B 106 -11.619 -10.921 -5.080 1.00 0.00 H new ATOM 0 HA THR B 106 -9.501 -10.086 -6.948 1.00 0.00 H new ATOM 0 HB THR B 106 -9.111 -12.244 -7.131 1.00 0.00 H new ATOM 0 HG1 THR B 106 -11.656 -12.484 -8.460 1.00 0.00 H new ATOM 0 HG21 THR B 106 -10.597 -14.165 -6.655 1.00 0.00 H new ATOM 0 HG22 THR B 106 -10.406 -13.064 -5.270 1.00 0.00 H new ATOM 0 HG23 THR B 106 -11.898 -13.024 -6.240 1.00 0.00 H new ATOM 1280 N VAL B 107 -11.052 -9.188 -8.609 1.00 0.00 N ATOM 1281 CA VAL B 107 -11.953 -8.594 -9.591 1.00 0.00 C ATOM 1282 C VAL B 107 -11.811 -9.422 -10.857 1.00 0.00 C ATOM 1283 O VAL B 107 -10.845 -9.263 -11.604 1.00 0.00 O ATOM 1284 CB VAL B 107 -11.677 -7.076 -9.895 1.00 0.00 C ATOM 1285 CG1 VAL B 107 -10.301 -6.656 -9.416 1.00 0.00 C ATOM 1286 CG2 VAL B 107 -11.843 -6.726 -11.391 1.00 0.00 C ATOM 0 H VAL B 107 -10.073 -8.924 -8.723 1.00 0.00 H new ATOM 0 HA VAL B 107 -12.965 -8.609 -9.187 1.00 0.00 H new ATOM 0 HB VAL B 107 -12.432 -6.518 -9.341 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -10.143 -5.601 -9.642 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -10.227 -6.811 -8.340 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -9.542 -7.253 -9.922 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -11.640 -5.666 -11.541 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -11.144 -7.317 -11.983 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -12.863 -6.949 -11.706 1.00 0.00 H new ATOM 1296 N THR B 108 -12.737 -10.340 -11.086 1.00 0.00 N ATOM 1297 CA THR B 108 -12.670 -11.189 -12.258 1.00 0.00 C ATOM 1298 C THR B 108 -12.936 -10.342 -13.491 1.00 0.00 C ATOM 1299 O THR B 108 -14.014 -10.386 -14.084 1.00 0.00 O ATOM 1300 CB THR B 108 -13.665 -12.329 -12.121 1.00 0.00 C ATOM 1301 OG1 THR B 108 -14.981 -11.850 -11.945 1.00 0.00 O ATOM 1302 CG2 THR B 108 -13.351 -13.231 -10.971 1.00 0.00 C ATOM 0 H THR B 108 -13.538 -10.513 -10.478 1.00 0.00 H new ATOM 0 HA THR B 108 -11.680 -11.633 -12.357 1.00 0.00 H new ATOM 0 HB THR B 108 -13.587 -12.892 -13.051 1.00 0.00 H new ATOM 0 HG1 THR B 108 -15.196 -11.214 -12.659 1.00 0.00 H new ATOM 0 HG21 THR B 108 -14.093 -14.027 -10.920 1.00 0.00 H new ATOM 0 HG22 THR B 108 -12.361 -13.666 -11.109 1.00 0.00 H new ATOM 0 HG23 THR B 108 -13.369 -12.658 -10.044 1.00 0.00 H new ATOM 1310 N VAL B 109 -11.947 -9.516 -13.811 1.00 0.00 N ATOM 1311 CA VAL B 109 -12.030 -8.568 -14.911 1.00 0.00 C ATOM 1312 C VAL B 109 -11.274 -9.042 -16.172 1.00 0.00 C ATOM 1313 O VAL B 109 -11.473 -10.171 -16.607 1.00 0.00 O ATOM 1314 CB VAL B 109 -11.545 -7.184 -14.410 1.00 0.00 C ATOM 1315 CG1 VAL B 109 -10.067 -7.201 -14.015 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -11.841 -6.092 -15.419 1.00 0.00 C ATOM 0 H VAL B 109 -11.059 -9.487 -13.310 1.00 0.00 H new ATOM 0 HA VAL B 109 -13.069 -8.489 -15.229 1.00 0.00 H new ATOM 0 HB VAL B 109 -12.111 -6.957 -13.507 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -9.771 -6.210 -13.670 1.00 0.00 H new ATOM 0 HG12 VAL B 109 -9.913 -7.925 -13.215 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -9.463 -7.480 -14.878 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -11.487 -5.135 -15.034 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -11.333 -6.316 -16.357 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -12.916 -6.038 -15.592 1.00 0.00 H new ATOM 1326 N ASP B 110 -10.444 -8.174 -16.766 1.00 0.00 N ATOM 1327 CA ASP B 110 -9.694 -8.465 -17.976 1.00 0.00 C ATOM 1328 C ASP B 110 -9.398 -7.130 -18.643 1.00 0.00 C ATOM 1329 O ASP B 110 -8.404 -6.479 -18.320 1.00 0.00 O ATOM 1330 CB ASP B 110 -10.467 -9.394 -18.943 1.00 0.00 C ATOM 1331 CG ASP B 110 -9.865 -10.781 -19.054 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -8.750 -10.995 -18.538 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -10.508 -11.651 -19.681 1.00 0.00 O ATOM 0 H ASP B 110 -10.278 -7.235 -16.405 1.00 0.00 H new ATOM 0 HA ASP B 110 -8.778 -8.998 -17.719 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -11.500 -9.480 -18.605 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -10.492 -8.937 -19.932 1.00 0.00 H new ATOM 1338 N SER B 111 -10.258 -6.709 -19.566 1.00 0.00 N ATOM 1339 CA SER B 111 -10.061 -5.458 -20.266 1.00 0.00 C ATOM 1340 C SER B 111 -10.503 -4.227 -19.473 1.00 0.00 C ATOM 1341 O SER B 111 -10.348 -3.117 -19.983 1.00 0.00 O ATOM 1342 CB SER B 111 -10.809 -5.494 -21.597 1.00 0.00 C ATOM 1343 OG SER B 111 -10.381 -4.448 -22.455 1.00 0.00 O ATOM 0 H SER B 111 -11.096 -7.221 -19.842 1.00 0.00 H new ATOM 0 HA SER B 111 -8.986 -5.360 -20.420 1.00 0.00 H new ATOM 0 HB2 SER B 111 -10.646 -6.456 -22.083 1.00 0.00 H new ATOM 0 HB3 SER B 111 -11.880 -5.405 -21.417 1.00 0.00 H new ATOM 0 HG SER B 111 -10.146 -3.662 -21.920 1.00 0.00 H new ATOM 1349 N ASP B 112 -11.047 -4.367 -18.242 1.00 0.00 N ATOM 1350 CA ASP B 112 -11.453 -3.171 -17.512 1.00 0.00 C ATOM 1351 C ASP B 112 -10.211 -2.454 -16.972 1.00 0.00 C ATOM 1352 O ASP B 112 -10.089 -2.184 -15.786 1.00 0.00 O ATOM 1353 CB ASP B 112 -12.432 -3.547 -16.392 1.00 0.00 C ATOM 1354 CG ASP B 112 -13.496 -2.495 -16.141 1.00 0.00 C ATOM 1355 OD1 ASP B 112 -13.795 -1.709 -17.062 1.00 0.00 O ATOM 1356 OD2 ASP B 112 -14.037 -2.464 -15.014 1.00 0.00 O ATOM 0 H ASP B 112 -11.204 -5.254 -17.763 1.00 0.00 H new ATOM 0 HA ASP B 112 -11.971 -2.484 -18.181 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -12.917 -4.490 -16.645 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -11.872 -3.713 -15.472 1.00 0.00 H new ATOM 1361 N SER B 113 -9.258 -2.180 -17.861 1.00 0.00 N ATOM 1362 CA SER B 113 -8.005 -1.528 -17.487 1.00 0.00 C ATOM 1363 C SER B 113 -7.146 -2.395 -16.550 1.00 0.00 C ATOM 1364 O SER B 113 -5.978 -2.073 -16.324 1.00 0.00 O ATOM 1365 CB SER B 113 -8.278 -0.168 -16.846 1.00 0.00 C ATOM 1366 OG SER B 113 -8.373 0.840 -17.838 1.00 0.00 O ATOM 0 H SER B 113 -9.332 -2.402 -18.854 1.00 0.00 H new ATOM 0 HA SER B 113 -7.436 -1.386 -18.406 1.00 0.00 H new ATOM 0 HB2 SER B 113 -9.204 -0.210 -16.272 1.00 0.00 H new ATOM 0 HB3 SER B 113 -7.479 0.077 -16.146 1.00 0.00 H new ATOM 0 HG SER B 113 -9.235 1.299 -17.756 1.00 0.00 H new ATOM 1372 N TYR B 114 -7.706 -3.497 -16.009 1.00 0.00 N ATOM 1373 CA TYR B 114 -6.954 -4.374 -15.115 1.00 0.00 C ATOM 1374 C TYR B 114 -5.654 -4.810 -15.773 1.00 0.00 C ATOM 1375 O TYR B 114 -4.563 -4.582 -15.239 1.00 0.00 O ATOM 1376 CB TYR B 114 -7.760 -5.621 -14.740 1.00 0.00 C ATOM 1377 CG TYR B 114 -6.878 -6.841 -14.581 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -6.089 -7.005 -13.450 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -6.794 -7.795 -15.585 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -5.248 -8.086 -13.320 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -5.951 -8.878 -15.468 1.00 0.00 C ATOM 1382 CZ TYR B 114 -5.180 -9.023 -14.335 1.00 0.00 C ATOM 1383 OH TYR B 114 -4.335 -10.105 -14.215 1.00 0.00 O ATOM 0 H TYR B 114 -8.668 -3.791 -16.179 1.00 0.00 H new ATOM 0 HA TYR B 114 -6.743 -3.807 -14.209 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -8.297 -5.439 -13.809 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -8.509 -5.813 -15.508 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -6.136 -6.271 -12.659 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -7.399 -7.687 -16.473 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.645 -8.202 -12.432 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -5.895 -9.610 -16.260 1.00 0.00 H new ATOM 0 HH TYR B 114 -4.455 -10.700 -14.984 1.00 0.00 H new ATOM 1393 N GLN B 115 -5.786 -5.485 -16.920 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.629 -6.005 -17.629 1.00 0.00 C ATOM 1395 C GLN B 115 -3.535 -4.934 -17.812 1.00 0.00 C ATOM 1396 O GLN B 115 -2.354 -5.226 -17.661 1.00 0.00 O ATOM 1397 CB GLN B 115 -5.047 -6.581 -18.982 1.00 0.00 C ATOM 1398 CG GLN B 115 -5.958 -7.795 -18.864 1.00 0.00 C ATOM 1399 CD GLN B 115 -6.579 -8.206 -20.186 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -6.454 -7.508 -21.188 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -7.255 -9.343 -20.194 1.00 0.00 N ATOM 0 H GLN B 115 -6.681 -5.679 -17.369 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.204 -6.803 -17.020 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -5.557 -5.808 -19.557 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.154 -6.858 -19.542 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -5.387 -8.632 -18.462 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -6.752 -7.578 -18.149 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -7.336 -9.894 -19.340 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -7.696 -9.668 -21.054 1.00 0.00 H new ATOM 1410 N LEU B 116 -3.936 -3.700 -18.135 1.00 0.00 N ATOM 1411 CA LEU B 116 -2.981 -2.591 -18.334 1.00 0.00 C ATOM 1412 C LEU B 116 -2.023 -2.416 -17.136 1.00 0.00 C ATOM 1413 O LEU B 116 -0.890 -1.973 -17.304 1.00 0.00 O ATOM 1414 CB LEU B 116 -3.743 -1.277 -18.579 1.00 0.00 C ATOM 1415 CG LEU B 116 -3.340 -0.503 -19.842 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -4.082 0.825 -19.916 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -1.839 -0.268 -19.877 1.00 0.00 C ATOM 0 H LEU B 116 -4.913 -3.438 -18.265 1.00 0.00 H new ATOM 0 HA LEU B 116 -2.376 -2.842 -19.205 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.808 -1.501 -18.636 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -3.599 -0.628 -17.715 1.00 0.00 H new ATOM 0 HG LEU B 116 -3.614 -1.105 -20.708 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -3.783 1.359 -20.818 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -5.156 0.641 -19.943 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -3.839 1.427 -19.040 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -1.578 0.282 -20.781 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -1.541 0.309 -19.002 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -1.320 -1.227 -19.873 1.00 0.00 H new ATOM 1429 N LEU B 117 -2.479 -2.797 -15.944 1.00 0.00 N ATOM 1430 CA LEU B 117 -1.639 -2.699 -14.742 1.00 0.00 C ATOM 1431 C LEU B 117 -0.625 -3.830 -14.696 1.00 0.00 C ATOM 1432 O LEU B 117 0.586 -3.606 -14.614 1.00 0.00 O ATOM 1433 CB LEU B 117 -2.468 -2.717 -13.467 1.00 0.00 C ATOM 1434 CG LEU B 117 -2.419 -1.416 -12.668 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -1.018 -1.170 -12.140 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -2.860 -0.249 -13.527 1.00 0.00 C ATOM 0 H LEU B 117 -3.413 -3.173 -15.781 1.00 0.00 H new ATOM 0 HA LEU B 117 -1.117 -1.744 -14.801 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -3.505 -2.933 -13.725 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -2.121 -3.533 -12.833 1.00 0.00 H new ATOM 0 HG LEU B 117 -3.102 -1.508 -11.823 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -1.001 -0.239 -11.573 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.723 -1.995 -11.492 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -0.322 -1.099 -12.975 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -2.819 0.670 -12.942 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -2.198 -0.160 -14.388 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -3.881 -0.415 -13.870 1.00 0.00 H new ATOM 1448 N LYS B 118 -1.142 -5.047 -14.771 1.00 0.00 N ATOM 1449 CA LYS B 118 -0.321 -6.250 -14.760 1.00 0.00 C ATOM 1450 C LYS B 118 0.571 -6.289 -15.988 1.00 0.00 C ATOM 1451 O LYS B 118 1.650 -6.885 -15.974 1.00 0.00 O ATOM 1452 CB LYS B 118 -1.216 -7.482 -14.698 1.00 0.00 C ATOM 1453 CG LYS B 118 -2.306 -7.458 -15.750 1.00 0.00 C ATOM 1454 CD LYS B 118 -2.607 -8.859 -16.258 1.00 0.00 C ATOM 1455 CE LYS B 118 -2.814 -8.892 -17.759 1.00 0.00 C ATOM 1456 NZ LYS B 118 -2.941 -10.292 -18.261 1.00 0.00 N ATOM 0 H LYS B 118 -2.143 -5.229 -14.841 1.00 0.00 H new ATOM 0 HA LYS B 118 0.320 -6.241 -13.878 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -0.607 -8.377 -14.830 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -1.670 -7.548 -13.709 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -3.211 -7.018 -15.331 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -1.999 -6.824 -16.582 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -1.786 -9.524 -15.992 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -3.500 -9.240 -15.761 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -3.711 -8.329 -18.016 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -1.976 -8.401 -18.254 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -3.297 -10.279 -19.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -2.010 -10.755 -18.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -3.605 -10.818 -17.657 1.00 0.00 H new ATOM 1470 N ALA B 119 0.111 -5.619 -17.035 1.00 0.00 N ATOM 1471 CA ALA B 119 0.852 -5.525 -18.281 1.00 0.00 C ATOM 1472 C ALA B 119 2.257 -4.979 -18.025 1.00 0.00 C ATOM 1473 O ALA B 119 3.198 -5.284 -18.760 1.00 0.00 O ATOM 1474 CB ALA B 119 0.106 -4.650 -19.279 1.00 0.00 C ATOM 0 H ALA B 119 -0.783 -5.128 -17.043 1.00 0.00 H new ATOM 0 HA ALA B 119 0.945 -6.524 -18.707 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.675 -4.590 -20.207 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.874 -5.083 -19.481 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -0.018 -3.650 -18.864 1.00 0.00 H new ATOM 1480 N TYR B 120 2.385 -4.180 -16.960 1.00 0.00 N ATOM 1481 CA TYR B 120 3.663 -3.604 -16.575 1.00 0.00 C ATOM 1482 C TYR B 120 4.407 -4.556 -15.640 1.00 0.00 C ATOM 1483 O TYR B 120 5.613 -4.742 -15.799 1.00 0.00 O ATOM 1484 CB TYR B 120 3.461 -2.244 -15.897 1.00 0.00 C ATOM 1485 CG TYR B 120 2.656 -1.259 -16.717 1.00 0.00 C ATOM 1486 CD1 TYR B 120 2.613 -1.343 -18.104 1.00 0.00 C ATOM 1487 CD2 TYR B 120 1.936 -0.247 -16.101 1.00 0.00 C ATOM 1488 CE1 TYR B 120 1.875 -0.444 -18.848 1.00 0.00 C ATOM 1489 CE2 TYR B 120 1.200 0.650 -16.835 1.00 0.00 C ATOM 1490 CZ TYR B 120 1.170 0.549 -18.208 1.00 0.00 C ATOM 1491 OH TYR B 120 0.435 1.447 -18.945 1.00 0.00 O ATOM 0 H TYR B 120 1.609 -3.921 -16.351 1.00 0.00 H new ATOM 0 HA TYR B 120 4.260 -3.453 -17.474 1.00 0.00 H new ATOM 0 HB2 TYR B 120 2.962 -2.397 -14.940 1.00 0.00 H new ATOM 0 HB3 TYR B 120 4.437 -1.809 -15.681 1.00 0.00 H new ATOM 0 HD1 TYR B 120 3.165 -2.123 -18.607 1.00 0.00 H new ATOM 0 HD2 TYR B 120 1.954 -0.163 -15.024 1.00 0.00 H new ATOM 0 HE1 TYR B 120 1.851 -0.520 -19.925 1.00 0.00 H new ATOM 0 HE2 TYR B 120 0.646 1.432 -16.337 1.00 0.00 H new ATOM 0 HH TYR B 120 0.441 2.319 -18.499 1.00 0.00 H new ATOM 1501 N ASP B 121 3.658 -5.150 -14.680 1.00 0.00 N ATOM 1502 CA ASP B 121 4.201 -6.114 -13.692 1.00 0.00 C ATOM 1503 C ASP B 121 3.889 -5.653 -12.268 1.00 0.00 C ATOM 1504 O ASP B 121 4.778 -5.326 -11.478 1.00 0.00 O ATOM 1505 CB ASP B 121 5.710 -6.333 -13.862 1.00 0.00 C ATOM 1506 CG ASP B 121 6.231 -7.514 -13.067 1.00 0.00 C ATOM 1507 OD1 ASP B 121 6.011 -8.664 -13.503 1.00 0.00 O ATOM 1508 OD2 ASP B 121 6.870 -7.292 -12.018 1.00 0.00 O ATOM 0 H ASP B 121 2.659 -4.974 -14.569 1.00 0.00 H new ATOM 0 HA ASP B 121 3.712 -7.071 -13.875 1.00 0.00 H new ATOM 0 HB2 ASP B 121 5.932 -6.487 -14.918 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.239 -5.432 -13.552 1.00 0.00 H new ATOM 1513 N VAL B 122 2.601 -5.602 -11.964 1.00 0.00 N ATOM 1514 CA VAL B 122 2.134 -5.154 -10.660 1.00 0.00 C ATOM 1515 C VAL B 122 0.722 -5.626 -10.354 1.00 0.00 C ATOM 1516 O VAL B 122 0.399 -5.837 -9.186 1.00 0.00 O ATOM 1517 CB VAL B 122 2.211 -3.616 -10.582 1.00 0.00 C ATOM 1518 CG1 VAL B 122 1.039 -2.967 -11.302 1.00 0.00 C ATOM 1519 CG2 VAL B 122 2.290 -3.142 -9.141 1.00 0.00 C ATOM 0 H VAL B 122 1.855 -5.867 -12.608 1.00 0.00 H new ATOM 0 HA VAL B 122 2.786 -5.597 -9.908 1.00 0.00 H new ATOM 0 HB VAL B 122 3.126 -3.308 -11.088 1.00 0.00 H new ATOM 0 HG11 VAL B 122 1.122 -1.883 -11.229 1.00 0.00 H new ATOM 0 HG12 VAL B 122 1.048 -3.262 -12.351 1.00 0.00 H new ATOM 0 HG13 VAL B 122 0.105 -3.291 -10.843 1.00 0.00 H new ATOM 0 HG21 VAL B 122 2.343 -2.054 -9.118 1.00 0.00 H new ATOM 0 HG22 VAL B 122 1.404 -3.473 -8.600 1.00 0.00 H new ATOM 0 HG23 VAL B 122 3.180 -3.559 -8.669 1.00 0.00 H new ATOM 1529 N ASN B 123 -0.135 -5.751 -11.380 1.00 0.00 N ATOM 1530 CA ASN B 123 -1.522 -6.155 -11.189 1.00 0.00 C ATOM 1531 C ASN B 123 -2.181 -5.223 -10.180 1.00 0.00 C ATOM 1532 O ASN B 123 -2.521 -4.088 -10.525 1.00 0.00 O ATOM 1533 CB ASN B 123 -1.660 -7.655 -10.820 1.00 0.00 C ATOM 1534 CG ASN B 123 -0.801 -8.102 -9.651 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -1.181 -7.926 -8.493 1.00 0.00 O ATOM 1536 ND2 ASN B 123 0.353 -8.687 -9.941 1.00 0.00 N ATOM 0 H ASN B 123 0.118 -5.575 -12.352 1.00 0.00 H new ATOM 0 HA ASN B 123 -2.052 -6.059 -12.137 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -2.704 -7.863 -10.587 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -1.403 -8.255 -11.693 1.00 0.00 H new ATOM 0 HD21 ASN B 123 0.963 -9.011 -9.191 1.00 0.00 H new ATOM 0 HD22 ASN B 123 0.630 -8.813 -10.914 1.00 0.00 H new ATOM 1543 N ILE B 124 -2.354 -5.668 -8.949 1.00 0.00 N ATOM 1544 CA ILE B 124 -2.963 -4.807 -7.956 1.00 0.00 C ATOM 1545 C ILE B 124 -2.667 -5.171 -6.506 1.00 0.00 C ATOM 1546 O ILE B 124 -3.212 -4.532 -5.604 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.480 -4.712 -8.131 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.988 -5.775 -9.095 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -4.856 -3.324 -8.614 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.641 -7.165 -8.645 1.00 0.00 C ATOM 0 H ILE B 124 -2.089 -6.596 -8.620 1.00 0.00 H new ATOM 0 HA ILE B 124 -2.492 -3.843 -8.146 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.953 -4.890 -7.165 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -6.070 -5.687 -9.193 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.563 -5.599 -10.083 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -5.937 -3.262 -8.737 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.531 -2.584 -7.883 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.370 -3.127 -9.570 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -5.025 -7.887 -9.366 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -3.558 -7.265 -8.573 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -5.088 -7.354 -7.669 1.00 0.00 H new ATOM 1562 N SER B 125 -1.850 -6.201 -6.269 1.00 0.00 N ATOM 1563 CA SER B 125 -1.562 -6.618 -4.888 1.00 0.00 C ATOM 1564 C SER B 125 -1.400 -5.393 -3.982 1.00 0.00 C ATOM 1565 O SER B 125 -2.221 -5.147 -3.086 1.00 0.00 O ATOM 1566 CB SER B 125 -0.296 -7.482 -4.847 1.00 0.00 C ATOM 1567 OG SER B 125 0.885 -6.689 -4.781 1.00 0.00 O ATOM 0 H SER B 125 -1.386 -6.751 -6.992 1.00 0.00 H new ATOM 0 HA SER B 125 -2.401 -7.210 -4.522 1.00 0.00 H new ATOM 0 HB2 SER B 125 -0.337 -8.145 -3.983 1.00 0.00 H new ATOM 0 HB3 SER B 125 -0.259 -8.115 -5.734 1.00 0.00 H new ATOM 0 HG SER B 125 1.671 -7.274 -4.755 1.00 0.00 H new ATOM 1573 N GLY B 126 -0.369 -4.602 -4.252 1.00 0.00 N ATOM 1574 CA GLY B 126 -0.141 -3.400 -3.486 1.00 0.00 C ATOM 1575 C GLY B 126 -0.922 -2.230 -4.036 1.00 0.00 C ATOM 1576 O GLY B 126 -1.366 -1.373 -3.285 1.00 0.00 O ATOM 0 H GLY B 126 0.313 -4.775 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -0.425 -3.571 -2.448 1.00 0.00 H new ATOM 0 HA3 GLY B 126 0.923 -3.162 -3.491 1.00 0.00 H new ATOM 1580 N LEU B 127 -1.114 -2.201 -5.353 1.00 0.00 N ATOM 1581 CA LEU B 127 -1.851 -1.135 -5.984 1.00 0.00 C ATOM 1582 C LEU B 127 -3.247 -1.010 -5.394 1.00 0.00 C ATOM 1583 O LEU B 127 -3.579 0.006 -4.804 1.00 0.00 O ATOM 1584 CB LEU B 127 -1.956 -1.440 -7.471 1.00 0.00 C ATOM 1585 CG LEU B 127 -2.314 -0.277 -8.372 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -2.946 -0.820 -9.632 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -3.258 0.665 -7.659 1.00 0.00 C ATOM 0 H LEU B 127 -0.764 -2.911 -5.996 1.00 0.00 H new ATOM 0 HA LEU B 127 -1.329 -0.193 -5.818 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -1.002 -1.850 -7.804 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -2.704 -2.221 -7.608 1.00 0.00 H new ATOM 0 HG LEU B 127 -1.417 0.285 -8.631 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -3.210 0.006 -10.292 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -2.240 -1.478 -10.139 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -3.845 -1.381 -9.376 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -3.508 1.497 -8.317 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -4.169 0.131 -7.387 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -2.779 1.047 -6.758 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.054 -2.054 -5.551 1.00 0.00 N ATOM 1600 CA VAL B 128 -5.417 -2.043 -5.039 1.00 0.00 C ATOM 1601 C VAL B 128 -5.475 -1.733 -3.540 1.00 0.00 C ATOM 1602 O VAL B 128 -5.960 -0.671 -3.152 1.00 0.00 O ATOM 1603 CB VAL B 128 -6.139 -3.372 -5.348 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -7.156 -3.714 -4.278 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -6.823 -3.275 -6.694 1.00 0.00 C ATOM 0 H VAL B 128 -3.788 -2.916 -6.028 1.00 0.00 H new ATOM 0 HA VAL B 128 -5.938 -1.237 -5.555 1.00 0.00 H new ATOM 0 HB VAL B 128 -5.394 -4.167 -5.367 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -7.645 -4.656 -4.528 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -6.653 -3.811 -3.316 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -7.903 -2.922 -4.219 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -7.333 -4.214 -6.912 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -7.550 -2.463 -6.675 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -6.080 -3.078 -7.467 1.00 0.00 H new ATOM 1615 N SER B 129 -5.002 -2.657 -2.700 1.00 0.00 N ATOM 1616 CA SER B 129 -5.034 -2.473 -1.255 1.00 0.00 C ATOM 1617 C SER B 129 -4.433 -1.136 -0.799 1.00 0.00 C ATOM 1618 O SER B 129 -4.999 -0.487 0.078 1.00 0.00 O ATOM 1619 CB SER B 129 -4.343 -3.639 -0.567 1.00 0.00 C ATOM 1620 OG SER B 129 -4.911 -3.866 0.716 1.00 0.00 O ATOM 0 H SER B 129 -4.592 -3.541 -3.001 1.00 0.00 H new ATOM 0 HA SER B 129 -6.084 -2.446 -0.962 1.00 0.00 H new ATOM 0 HB2 SER B 129 -4.437 -4.537 -1.177 1.00 0.00 H new ATOM 0 HB3 SER B 129 -3.278 -3.431 -0.468 1.00 0.00 H new ATOM 0 HG SER B 129 -4.560 -4.703 1.086 1.00 0.00 H new ATOM 1626 N THR B 130 -3.314 -0.697 -1.391 1.00 0.00 N ATOM 1627 CA THR B 130 -2.724 0.581 -0.996 1.00 0.00 C ATOM 1628 C THR B 130 -3.536 1.711 -1.590 1.00 0.00 C ATOM 1629 O THR B 130 -3.934 2.632 -0.874 1.00 0.00 O ATOM 1630 CB THR B 130 -1.241 0.693 -1.399 1.00 0.00 C ATOM 1631 OG1 THR B 130 -0.433 0.877 -0.253 1.00 0.00 O ATOM 1632 CG2 THR B 130 -0.938 1.834 -2.354 1.00 0.00 C ATOM 0 H THR B 130 -2.813 -1.196 -2.126 1.00 0.00 H new ATOM 0 HA THR B 130 -2.750 0.645 0.092 1.00 0.00 H new ATOM 0 HB THR B 130 -1.019 -0.243 -1.912 1.00 0.00 H new ATOM 0 HG1 THR B 130 -0.763 0.309 0.474 1.00 0.00 H new ATOM 0 HG21 THR B 130 0.127 1.841 -2.586 1.00 0.00 H new ATOM 0 HG22 THR B 130 -1.509 1.701 -3.273 1.00 0.00 H new ATOM 0 HG23 THR B 130 -1.214 2.780 -1.889 1.00 0.00 H new ATOM 1640 N THR B 131 -3.802 1.637 -2.902 1.00 0.00 N ATOM 1641 CA THR B 131 -4.591 2.670 -3.552 1.00 0.00 C ATOM 1642 C THR B 131 -5.876 2.873 -2.768 1.00 0.00 C ATOM 1643 O THR B 131 -6.359 3.999 -2.624 1.00 0.00 O ATOM 1644 CB THR B 131 -4.906 2.334 -5.020 1.00 0.00 C ATOM 1645 OG1 THR B 131 -3.842 2.726 -5.869 1.00 0.00 O ATOM 1646 CG2 THR B 131 -6.155 3.010 -5.544 1.00 0.00 C ATOM 0 H THR B 131 -3.486 0.886 -3.515 1.00 0.00 H new ATOM 0 HA THR B 131 -4.005 3.589 -3.563 1.00 0.00 H new ATOM 0 HB THR B 131 -5.056 1.254 -5.030 1.00 0.00 H new ATOM 0 HG1 THR B 131 -4.197 2.958 -6.752 1.00 0.00 H new ATOM 0 HG21 THR B 131 -6.313 2.726 -6.584 1.00 0.00 H new ATOM 0 HG22 THR B 131 -7.014 2.700 -4.949 1.00 0.00 H new ATOM 0 HG23 THR B 131 -6.039 4.092 -5.477 1.00 0.00 H new ATOM 1654 N MET B 132 -6.408 1.775 -2.232 1.00 0.00 N ATOM 1655 CA MET B 132 -7.612 1.826 -1.435 1.00 0.00 C ATOM 1656 C MET B 132 -7.470 2.798 -0.276 1.00 0.00 C ATOM 1657 O MET B 132 -8.334 3.611 -0.087 1.00 0.00 O ATOM 1658 CB MET B 132 -7.968 0.444 -0.926 1.00 0.00 C ATOM 1659 CG MET B 132 -8.592 -0.417 -1.993 1.00 0.00 C ATOM 1660 SD MET B 132 -8.082 -2.124 -1.878 1.00 0.00 S ATOM 1661 CE MET B 132 -9.467 -2.873 -2.691 1.00 0.00 C ATOM 0 H MET B 132 -6.015 0.840 -2.342 1.00 0.00 H new ATOM 0 HA MET B 132 -8.419 2.185 -2.073 1.00 0.00 H new ATOM 0 HB2 MET B 132 -7.069 -0.044 -0.548 1.00 0.00 H new ATOM 0 HB3 MET B 132 -8.658 0.535 -0.087 1.00 0.00 H new ATOM 0 HG2 MET B 132 -9.678 -0.359 -1.913 1.00 0.00 H new ATOM 0 HG3 MET B 132 -8.323 -0.026 -2.974 1.00 0.00 H new ATOM 0 HE1 MET B 132 -9.315 -3.951 -2.750 1.00 0.00 H new ATOM 0 HE2 MET B 132 -10.376 -2.665 -2.127 1.00 0.00 H new ATOM 0 HE3 MET B 132 -9.563 -2.464 -3.697 1.00 0.00 H new ATOM 1671 N GLN B 133 -6.389 2.732 0.499 1.00 0.00 N ATOM 1672 CA GLN B 133 -6.220 3.669 1.620 1.00 0.00 C ATOM 1673 C GLN B 133 -6.346 5.122 1.133 1.00 0.00 C ATOM 1674 O GLN B 133 -6.913 5.976 1.821 1.00 0.00 O ATOM 1675 CB GLN B 133 -4.881 3.422 2.337 1.00 0.00 C ATOM 1676 CG GLN B 133 -3.853 4.543 2.201 1.00 0.00 C ATOM 1677 CD GLN B 133 -3.662 5.320 3.488 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -4.620 5.825 4.075 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -2.422 5.419 3.944 1.00 0.00 N ATOM 0 H GLN B 133 -5.631 2.059 0.381 1.00 0.00 H new ATOM 0 HA GLN B 133 -7.016 3.495 2.344 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -5.079 3.259 3.396 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.444 2.502 1.950 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -2.898 4.119 1.892 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.168 5.226 1.412 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -1.654 4.987 3.430 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -2.236 5.927 4.809 1.00 0.00 H new ATOM 1688 N ASN B 134 -5.842 5.385 -0.074 1.00 0.00 N ATOM 1689 CA ASN B 134 -5.924 6.715 -0.674 1.00 0.00 C ATOM 1690 C ASN B 134 -7.348 6.968 -1.169 1.00 0.00 C ATOM 1691 O ASN B 134 -7.950 7.999 -0.859 1.00 0.00 O ATOM 1692 CB ASN B 134 -4.926 6.831 -1.832 1.00 0.00 C ATOM 1693 CG ASN B 134 -3.883 7.909 -1.627 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -4.112 8.896 -0.927 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -2.733 7.735 -2.261 1.00 0.00 N ATOM 0 H ASN B 134 -5.372 4.691 -0.656 1.00 0.00 H new ATOM 0 HA ASN B 134 -5.672 7.465 0.076 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -4.424 5.873 -1.966 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -5.472 7.036 -2.753 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -1.995 8.434 -2.179 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -2.586 6.902 -2.831 1.00 0.00 H new ATOM 1702 N GLU B 135 -7.890 5.992 -1.904 1.00 0.00 N ATOM 1703 CA GLU B 135 -9.261 6.070 -2.411 1.00 0.00 C ATOM 1704 C GLU B 135 -10.255 5.967 -1.244 1.00 0.00 C ATOM 1705 O GLU B 135 -11.392 6.392 -1.342 1.00 0.00 O ATOM 1706 CB GLU B 135 -9.503 4.958 -3.444 1.00 0.00 C ATOM 1707 CG GLU B 135 -10.972 4.632 -3.684 1.00 0.00 C ATOM 1708 CD GLU B 135 -11.641 5.581 -4.657 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -12.039 6.686 -4.232 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -11.774 5.216 -5.841 1.00 0.00 O ATOM 0 H GLU B 135 -7.397 5.137 -2.161 1.00 0.00 H new ATOM 0 HA GLU B 135 -9.411 7.030 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU B 135 -9.049 5.253 -4.390 1.00 0.00 H new ATOM 0 HB3 GLU B 135 -8.992 4.054 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -11.054 3.614 -4.064 1.00 0.00 H new ATOM 0 HG3 GLU B 135 -11.504 4.661 -2.733 1.00 0.00 H new ATOM 1717 N ALA B 136 -9.793 5.394 -0.137 1.00 0.00 N ATOM 1718 CA ALA B 136 -10.596 5.226 1.067 1.00 0.00 C ATOM 1719 C ALA B 136 -10.700 6.551 1.801 1.00 0.00 C ATOM 1720 O ALA B 136 -11.793 6.979 2.170 1.00 0.00 O ATOM 1721 CB ALA B 136 -9.989 4.156 1.968 1.00 0.00 C ATOM 0 H ALA B 136 -8.844 5.031 -0.051 1.00 0.00 H new ATOM 0 HA ALA B 136 -11.597 4.900 0.785 1.00 0.00 H new ATOM 0 HB1 ALA B 136 -10.601 4.043 2.863 1.00 0.00 H new ATOM 0 HB2 ALA B 136 -9.952 3.208 1.432 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -8.979 4.451 2.254 1.00 0.00 H new ATOM 1727 N ARG B 137 -9.557 7.224 1.973 1.00 0.00 N ATOM 1728 CA ARG B 137 -9.546 8.530 2.620 1.00 0.00 C ATOM 1729 C ARG B 137 -10.303 9.522 1.769 1.00 0.00 C ATOM 1730 O ARG B 137 -11.241 10.177 2.221 1.00 0.00 O ATOM 1731 CB ARG B 137 -8.131 9.057 2.771 1.00 0.00 C ATOM 1732 CG ARG B 137 -7.630 9.056 4.202 1.00 0.00 C ATOM 1733 CD ARG B 137 -6.130 8.823 4.266 1.00 0.00 C ATOM 1734 NE ARG B 137 -5.788 7.674 5.110 1.00 0.00 N ATOM 1735 CZ ARG B 137 -5.966 7.622 6.426 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -6.482 8.648 7.079 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -5.625 6.535 7.088 1.00 0.00 N ATOM 0 H ARG B 137 -8.641 6.887 1.676 1.00 0.00 H new ATOM 0 HA ARG B 137 -10.004 8.413 3.602 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -7.460 8.453 2.160 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -8.088 10.074 2.381 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -7.872 10.008 4.674 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -8.144 8.280 4.768 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -5.745 8.661 3.259 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -5.641 9.716 4.654 1.00 0.00 H new ATOM 0 HE ARG B 137 -5.384 6.856 4.654 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -6.749 9.493 6.573 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -6.614 8.596 8.089 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -5.227 5.739 6.590 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -5.759 6.490 8.098 1.00 0.00 H new ATOM 1751 N ARG B 138 -9.850 9.634 0.527 1.00 0.00 N ATOM 1752 CA ARG B 138 -10.444 10.557 -0.411 1.00 0.00 C ATOM 1753 C ARG B 138 -11.862 10.124 -0.802 1.00 0.00 C ATOM 1754 O ARG B 138 -12.725 10.968 -1.040 1.00 0.00 O ATOM 1755 CB ARG B 138 -9.572 10.689 -1.664 1.00 0.00 C ATOM 1756 CG ARG B 138 -8.682 11.923 -1.662 1.00 0.00 C ATOM 1757 CD ARG B 138 -7.212 11.551 -1.780 1.00 0.00 C ATOM 1758 NE ARG B 138 -6.665 11.904 -3.093 1.00 0.00 N ATOM 1759 CZ ARG B 138 -5.627 11.300 -3.663 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -4.968 10.349 -3.031 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -5.236 11.660 -4.868 1.00 0.00 N ATOM 0 H ARG B 138 -9.071 9.093 0.152 1.00 0.00 H new ATOM 0 HA ARG B 138 -10.509 11.528 0.081 1.00 0.00 H new ATOM 0 HB2 ARG B 138 -8.947 9.801 -1.756 1.00 0.00 H new ATOM 0 HB3 ARG B 138 -10.216 10.718 -2.543 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -8.961 12.575 -2.490 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -8.843 12.487 -0.743 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -6.645 12.060 -1.001 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -7.093 10.480 -1.613 1.00 0.00 H new ATOM 0 HE ARG B 138 -7.111 12.665 -3.605 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -5.253 10.068 -2.093 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -4.173 9.894 -3.480 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -5.730 12.402 -5.364 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -4.440 11.197 -5.305 1.00 0.00 H new