USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 726 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 57 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 50 SER OG : rot -64:sc= 1.03 USER MOD Set 2.2: A 51 ASN : amide:sc= -3.57! C(o=-2.5!,f=-3.7!) USER MOD Set 3.1: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 32 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.028) USER MOD Single : A 1 LEU N :NH3+ -179:sc= -1.66 (180deg=-1.71) USER MOD Single : A 5 THR OG1 : rot 49:sc= 0.367 USER MOD Single : A 7 LYS NZ :NH3+ -136:sc= -0.0116 (180deg=-0.131) USER MOD Single : A 11 THR OG1 : rot 108:sc= 0.153 USER MOD Single : A 13 LYS NZ :NH3+ -129:sc= -0.445 (180deg=-3.46!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -0.0646 (180deg=-0.451) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -42:sc= 0.695 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 52:sc= -0.112 USER MOD Single : A 49 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.29) USER MOD Single : A 52 HIS : no HD1:sc= -0.631 X(o=-0.63,f=-0.23) USER MOD Single : A 59 TYR OH : rot -29:sc= 1.05 USER MOD Single : A 60 ASN : amide:sc= -0.0682 X(o=-0.068,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot -124:sc= 0.257 USER MOD Single : A 80 THR OG1 : rot -63:sc= 1.21 USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= -0.0167 (180deg=-0.38) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -8.896 18.383 -2.700 1.00 0.00 N ATOM 2 CA LEU A 1 -9.494 18.277 -4.058 1.00 0.00 C ATOM 3 C LEU A 1 -10.440 17.084 -4.152 1.00 0.00 C ATOM 4 O LEU A 1 -10.108 16.062 -4.755 1.00 0.00 O ATOM 5 CB LEU A 1 -8.363 18.141 -5.082 1.00 0.00 C ATOM 6 CG LEU A 1 -7.165 17.304 -4.625 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.600 16.499 -5.783 1.00 0.00 C ATOM 8 CD2 LEU A 1 -6.093 18.200 -4.023 1.00 0.00 C ATOM 0 H1 LEU A 1 -8.270 19.213 -2.660 1.00 0.00 H new ATOM 0 H2 LEU A 1 -9.653 18.486 -1.994 1.00 0.00 H new ATOM 0 H3 LEU A 1 -8.346 17.525 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 1 -10.078 19.174 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -8.769 17.698 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -8.010 19.138 -5.344 1.00 0.00 H new ATOM 0 HG LEU A 1 -7.504 16.606 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -5.750 15.911 -5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -7.369 15.831 -6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -6.276 17.176 -6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -5.248 17.591 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -5.759 18.920 -4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -6.503 18.732 -3.164 1.00 0.00 H new ATOM 22 N PHE A 2 -11.620 17.224 -3.551 1.00 0.00 N ATOM 23 CA PHE A 2 -12.630 16.165 -3.558 1.00 0.00 C ATOM 24 C PHE A 2 -12.007 14.796 -3.288 1.00 0.00 C ATOM 25 O PHE A 2 -12.135 13.874 -4.092 1.00 0.00 O ATOM 26 CB PHE A 2 -13.383 16.150 -4.893 1.00 0.00 C ATOM 27 CG PHE A 2 -12.492 16.051 -6.100 1.00 0.00 C ATOM 28 CD1 PHE A 2 -11.952 17.190 -6.675 1.00 0.00 C ATOM 29 CD2 PHE A 2 -12.198 14.818 -6.663 1.00 0.00 C ATOM 30 CE1 PHE A 2 -11.135 17.103 -7.786 1.00 0.00 C ATOM 31 CE2 PHE A 2 -11.382 14.725 -7.775 1.00 0.00 C ATOM 32 CZ PHE A 2 -10.850 15.868 -8.336 1.00 0.00 C ATOM 0 H PHE A 2 -11.902 18.066 -3.050 1.00 0.00 H new ATOM 0 HA PHE A 2 -13.336 16.377 -2.755 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -14.077 15.309 -4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -13.982 17.058 -4.970 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -12.172 18.158 -6.250 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -12.611 13.920 -6.228 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -10.720 17.999 -8.224 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -11.161 13.759 -8.204 1.00 0.00 H new ATOM 0 HZ PHE A 2 -10.211 15.797 -9.204 1.00 0.00 H new ATOM 42 N ILE A 3 -11.332 14.674 -2.150 1.00 0.00 N ATOM 43 CA ILE A 3 -10.686 13.423 -1.766 1.00 0.00 C ATOM 44 C ILE A 3 -9.468 13.142 -2.646 1.00 0.00 C ATOM 45 O ILE A 3 -9.507 13.346 -3.859 1.00 0.00 O ATOM 46 CB ILE A 3 -11.680 12.230 -1.824 1.00 0.00 C ATOM 47 CG1 ILE A 3 -11.622 11.430 -0.522 1.00 0.00 C ATOM 48 CG2 ILE A 3 -11.407 11.320 -3.018 1.00 0.00 C ATOM 49 CD1 ILE A 3 -10.303 10.717 -0.308 1.00 0.00 C ATOM 0 H ILE A 3 -11.218 15.430 -1.474 1.00 0.00 H new ATOM 0 HA ILE A 3 -10.350 13.534 -0.735 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.682 12.641 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -11.802 12.103 0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -12.427 10.695 -0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.124 10.499 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.506 11.891 -3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.396 10.919 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.334 10.170 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.130 10.019 -1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.495 11.448 -0.277 1.00 0.00 H new ATOM 61 N ALA A 4 -8.391 12.677 -2.025 1.00 0.00 N ATOM 62 CA ALA A 4 -7.163 12.370 -2.750 1.00 0.00 C ATOM 63 C ALA A 4 -7.066 10.880 -3.062 1.00 0.00 C ATOM 64 O ALA A 4 -7.049 10.046 -2.157 1.00 0.00 O ATOM 65 CB ALA A 4 -5.952 12.824 -1.950 1.00 0.00 C ATOM 0 H ALA A 4 -8.342 12.504 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.184 12.911 -3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.042 12.589 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.008 13.900 -1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.937 12.309 -0.989 1.00 0.00 H new ATOM 71 N THR A 5 -7.003 10.554 -4.349 1.00 0.00 N ATOM 72 CA THR A 5 -6.906 9.166 -4.784 1.00 0.00 C ATOM 73 C THR A 5 -5.789 8.995 -5.808 1.00 0.00 C ATOM 74 O THR A 5 -5.994 9.196 -7.005 1.00 0.00 O ATOM 75 CB THR A 5 -8.236 8.703 -5.381 1.00 0.00 C ATOM 76 OG1 THR A 5 -8.693 9.622 -6.358 1.00 0.00 O ATOM 77 CG2 THR A 5 -9.333 8.546 -4.351 1.00 0.00 C ATOM 0 H THR A 5 -7.017 11.234 -5.110 1.00 0.00 H new ATOM 0 HA THR A 5 -6.674 8.553 -3.913 1.00 0.00 H new ATOM 0 HB THR A 5 -8.031 7.727 -5.821 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.962 9.833 -6.976 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.248 8.216 -4.842 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.032 7.807 -3.609 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.510 9.503 -3.859 1.00 0.00 H new ATOM 85 N LEU A 6 -4.603 8.626 -5.331 1.00 0.00 N ATOM 86 CA LEU A 6 -3.454 8.431 -6.207 1.00 0.00 C ATOM 87 C LEU A 6 -2.987 6.979 -6.184 1.00 0.00 C ATOM 88 O LEU A 6 -3.178 6.269 -5.198 1.00 0.00 O ATOM 89 CB LEU A 6 -2.307 9.355 -5.789 1.00 0.00 C ATOM 90 CG LEU A 6 -2.244 10.689 -6.536 1.00 0.00 C ATOM 91 CD1 LEU A 6 -1.093 11.537 -6.017 1.00 0.00 C ATOM 92 CD2 LEU A 6 -2.102 10.453 -8.032 1.00 0.00 C ATOM 0 H LEU A 6 -4.414 8.456 -4.343 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.760 8.677 -7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.395 9.558 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.364 8.828 -5.937 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.174 11.229 -6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.064 12.482 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.236 11.733 -4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.153 11.005 -6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.059 11.412 -8.549 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.187 9.894 -8.227 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.959 9.884 -8.394 1.00 0.00 H new ATOM 104 N LYS A 7 -2.371 6.546 -7.281 1.00 0.00 N ATOM 105 CA LYS A 7 -1.873 5.180 -7.391 1.00 0.00 C ATOM 106 C LYS A 7 -0.557 5.145 -8.163 1.00 0.00 C ATOM 107 O LYS A 7 -0.230 6.080 -8.894 1.00 0.00 O ATOM 108 CB LYS A 7 -2.906 4.289 -8.083 1.00 0.00 C ATOM 109 CG LYS A 7 -3.486 4.898 -9.349 1.00 0.00 C ATOM 110 CD LYS A 7 -2.906 4.251 -10.597 1.00 0.00 C ATOM 111 CE LYS A 7 -3.792 3.124 -11.103 1.00 0.00 C ATOM 112 NZ LYS A 7 -3.348 1.797 -10.593 1.00 0.00 N ATOM 0 H LYS A 7 -2.205 7.122 -8.106 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.697 4.802 -6.384 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.442 3.334 -8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.717 4.079 -7.386 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.570 4.780 -9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.282 5.969 -9.365 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.790 5.003 -11.378 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.911 3.863 -10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.822 3.305 -10.795 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.782 3.116 -12.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.368 1.103 -11.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.380 1.874 -10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.986 1.486 -9.833 1.00 0.00 H new ATOM 126 N GLY A 8 0.194 4.063 -7.993 1.00 0.00 N ATOM 127 CA GLY A 8 1.466 3.929 -8.680 1.00 0.00 C ATOM 128 C GLY A 8 1.650 2.560 -9.306 1.00 0.00 C ATOM 129 O GLY A 8 1.810 1.564 -8.600 1.00 0.00 O ATOM 0 H GLY A 8 -0.054 3.277 -7.393 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.538 4.692 -9.456 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.277 4.114 -7.975 1.00 0.00 H new ATOM 133 N ILE A 9 1.631 2.511 -10.635 1.00 0.00 N ATOM 134 CA ILE A 9 1.801 1.255 -11.353 1.00 0.00 C ATOM 135 C ILE A 9 3.278 0.893 -11.476 1.00 0.00 C ATOM 136 O ILE A 9 3.900 1.107 -12.516 1.00 0.00 O ATOM 137 CB ILE A 9 1.169 1.323 -12.760 1.00 0.00 C ATOM 138 CG1 ILE A 9 1.301 -0.024 -13.476 1.00 0.00 C ATOM 139 CG2 ILE A 9 1.812 2.432 -13.581 1.00 0.00 C ATOM 140 CD1 ILE A 9 0.431 -0.143 -14.707 1.00 0.00 C ATOM 0 H ILE A 9 1.500 3.326 -11.234 1.00 0.00 H new ATOM 0 HA ILE A 9 1.291 0.483 -10.777 1.00 0.00 H new ATOM 0 HB ILE A 9 0.108 1.549 -12.650 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.342 -0.174 -13.761 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.043 -0.823 -12.780 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.354 2.465 -14.570 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.663 3.389 -13.080 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.880 2.238 -13.682 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.577 -1.123 -15.162 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.615 -0.025 -14.426 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.704 0.633 -15.422 1.00 0.00 H new ATOM 152 N PHE A 10 3.833 0.344 -10.402 1.00 0.00 N ATOM 153 CA PHE A 10 5.237 -0.047 -10.379 1.00 0.00 C ATOM 154 C PHE A 10 5.449 -1.349 -11.151 1.00 0.00 C ATOM 155 O PHE A 10 4.602 -2.241 -11.125 1.00 0.00 O ATOM 156 CB PHE A 10 5.710 -0.209 -8.935 1.00 0.00 C ATOM 157 CG PHE A 10 6.041 1.092 -8.261 1.00 0.00 C ATOM 158 CD1 PHE A 10 5.041 1.996 -7.941 1.00 0.00 C ATOM 159 CD2 PHE A 10 7.352 1.410 -7.945 1.00 0.00 C ATOM 160 CE1 PHE A 10 5.341 3.192 -7.318 1.00 0.00 C ATOM 161 CE2 PHE A 10 7.659 2.606 -7.323 1.00 0.00 C ATOM 162 CZ PHE A 10 6.652 3.497 -7.008 1.00 0.00 C ATOM 0 H PHE A 10 3.331 0.159 -9.534 1.00 0.00 H new ATOM 0 HA PHE A 10 5.822 0.736 -10.861 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.935 -0.718 -8.363 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.591 -0.851 -8.920 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.014 1.763 -8.182 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.143 0.716 -8.187 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.552 3.887 -7.074 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.685 2.843 -7.084 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.889 4.431 -6.520 1.00 0.00 H new ATOM 172 N THR A 11 6.581 -1.451 -11.842 1.00 0.00 N ATOM 173 CA THR A 11 6.890 -2.646 -12.620 1.00 0.00 C ATOM 174 C THR A 11 8.377 -2.755 -12.906 1.00 0.00 C ATOM 175 O THR A 11 9.106 -1.759 -12.899 1.00 0.00 O ATOM 176 CB THR A 11 6.101 -2.648 -13.931 1.00 0.00 C ATOM 177 OG1 THR A 11 6.359 -3.829 -14.669 1.00 0.00 O ATOM 178 CG2 THR A 11 6.420 -1.470 -14.824 1.00 0.00 C ATOM 0 H THR A 11 7.296 -0.724 -11.879 1.00 0.00 H new ATOM 0 HA THR A 11 6.597 -3.512 -12.026 1.00 0.00 H new ATOM 0 HB THR A 11 5.053 -2.586 -13.637 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.571 -4.411 -14.640 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.826 -1.533 -15.736 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.185 -0.543 -14.301 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.480 -1.483 -15.079 1.00 0.00 H new ATOM 186 N LEU A 12 8.820 -3.983 -13.145 1.00 0.00 N ATOM 187 CA LEU A 12 10.218 -4.249 -13.423 1.00 0.00 C ATOM 188 C LEU A 12 11.088 -3.747 -12.280 1.00 0.00 C ATOM 189 O LEU A 12 10.686 -2.877 -11.513 1.00 0.00 O ATOM 190 CB LEU A 12 10.640 -3.582 -14.733 1.00 0.00 C ATOM 191 CG LEU A 12 11.782 -4.282 -15.476 1.00 0.00 C ATOM 192 CD1 LEU A 12 11.297 -4.840 -16.805 1.00 0.00 C ATOM 193 CD2 LEU A 12 12.946 -3.325 -15.692 1.00 0.00 C ATOM 0 H LEU A 12 8.225 -4.811 -13.151 1.00 0.00 H new ATOM 0 HA LEU A 12 10.350 -5.327 -13.521 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.774 -3.531 -15.393 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.940 -2.556 -14.521 1.00 0.00 H new ATOM 0 HG LEU A 12 12.129 -5.113 -14.862 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.124 -5.333 -17.316 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.499 -5.561 -16.627 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.920 -4.027 -17.425 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.747 -3.840 -16.221 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.611 -2.472 -16.282 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.314 -2.976 -14.727 1.00 0.00 H new ATOM 205 N LYS A 13 12.282 -4.297 -12.171 1.00 0.00 N ATOM 206 CA LYS A 13 13.205 -3.890 -11.119 1.00 0.00 C ATOM 207 C LYS A 13 13.425 -2.378 -11.150 1.00 0.00 C ATOM 208 O LYS A 13 13.801 -1.775 -10.145 1.00 0.00 O ATOM 209 CB LYS A 13 14.536 -4.634 -11.251 1.00 0.00 C ATOM 210 CG LYS A 13 14.592 -5.915 -10.427 1.00 0.00 C ATOM 211 CD LYS A 13 15.327 -5.722 -9.105 1.00 0.00 C ATOM 212 CE LYS A 13 14.912 -4.438 -8.398 1.00 0.00 C ATOM 213 NZ LYS A 13 15.794 -3.293 -8.760 1.00 0.00 N ATOM 0 H LYS A 13 12.638 -5.023 -12.792 1.00 0.00 H new ATOM 0 HA LYS A 13 12.763 -4.150 -10.157 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.707 -4.877 -12.300 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.346 -3.974 -10.940 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.578 -6.261 -10.229 1.00 0.00 H new ATOM 0 HG3 LYS A 13 15.088 -6.695 -11.005 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.129 -6.573 -8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.401 -5.703 -9.288 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.881 -4.198 -8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.942 -4.592 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.132 -2.828 -7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.608 -3.641 -9.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.259 -2.610 -9.333 1.00 0.00 H new ATOM 227 N ASP A 14 13.169 -1.767 -12.310 1.00 0.00 N ATOM 228 CA ASP A 14 13.318 -0.324 -12.466 1.00 0.00 C ATOM 229 C ASP A 14 12.054 0.409 -12.008 1.00 0.00 C ATOM 230 O ASP A 14 11.957 1.630 -12.130 1.00 0.00 O ATOM 231 CB ASP A 14 13.623 0.025 -13.923 1.00 0.00 C ATOM 232 CG ASP A 14 14.036 1.474 -14.097 1.00 0.00 C ATOM 233 OD1 ASP A 14 13.140 2.338 -14.204 1.00 0.00 O ATOM 234 OD2 ASP A 14 15.255 1.746 -14.125 1.00 0.00 O ATOM 0 H ASP A 14 12.858 -2.252 -13.152 1.00 0.00 H new ATOM 0 HA ASP A 14 14.150 -0.002 -11.841 1.00 0.00 H new ATOM 0 HB2 ASP A 14 14.419 -0.623 -14.290 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.742 -0.175 -14.533 1.00 0.00 H new ATOM 239 N LEU A 15 11.086 -0.348 -11.480 1.00 0.00 N ATOM 240 CA LEU A 15 9.827 0.213 -11.003 1.00 0.00 C ATOM 241 C LEU A 15 10.006 1.529 -10.228 1.00 0.00 C ATOM 242 O LEU A 15 9.193 2.437 -10.396 1.00 0.00 O ATOM 243 CB LEU A 15 9.059 -0.814 -10.156 1.00 0.00 C ATOM 244 CG LEU A 15 9.651 -1.145 -8.782 1.00 0.00 C ATOM 245 CD1 LEU A 15 8.595 -1.775 -7.886 1.00 0.00 C ATOM 246 CD2 LEU A 15 10.847 -2.078 -8.919 1.00 0.00 C ATOM 0 H LEU A 15 11.157 -1.360 -11.374 1.00 0.00 H new ATOM 0 HA LEU A 15 9.242 0.453 -11.891 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.044 -0.445 -10.010 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.983 -1.739 -10.727 1.00 0.00 H new ATOM 0 HG LEU A 15 9.990 -0.215 -8.326 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.032 -2.004 -6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.766 -1.079 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.229 -2.694 -8.345 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.251 -2.299 -7.931 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.532 -3.005 -9.398 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.615 -1.598 -9.526 1.00 0.00 H new ATOM 258 N PRO A 16 11.044 1.674 -9.364 1.00 0.00 N ATOM 259 CA PRO A 16 11.255 2.914 -8.595 1.00 0.00 C ATOM 260 C PRO A 16 11.330 4.156 -9.479 1.00 0.00 C ATOM 261 O PRO A 16 12.398 4.747 -9.652 1.00 0.00 O ATOM 262 CB PRO A 16 12.598 2.690 -7.889 1.00 0.00 C ATOM 263 CG PRO A 16 13.223 1.536 -8.592 1.00 0.00 C ATOM 264 CD PRO A 16 12.083 0.677 -9.041 1.00 0.00 C ATOM 0 HA PRO A 16 10.424 3.098 -7.914 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.228 3.577 -7.952 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.455 2.475 -6.830 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.821 1.870 -9.440 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.891 0.987 -7.928 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.348 0.071 -9.907 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.759 -0.009 -8.259 1.00 0.00 H new ATOM 272 N GLU A 17 10.189 4.550 -10.029 1.00 0.00 N ATOM 273 CA GLU A 17 10.115 5.719 -10.894 1.00 0.00 C ATOM 274 C GLU A 17 10.347 6.997 -10.097 1.00 0.00 C ATOM 275 O GLU A 17 9.445 7.819 -9.936 1.00 0.00 O ATOM 276 CB GLU A 17 8.756 5.776 -11.590 1.00 0.00 C ATOM 277 CG GLU A 17 7.579 5.655 -10.636 1.00 0.00 C ATOM 278 CD GLU A 17 6.749 6.923 -10.569 1.00 0.00 C ATOM 279 OE1 GLU A 17 5.918 7.137 -11.478 1.00 0.00 O ATOM 280 OE2 GLU A 17 6.928 7.699 -9.608 1.00 0.00 O ATOM 0 H GLU A 17 9.298 4.074 -9.890 1.00 0.00 H new ATOM 0 HA GLU A 17 10.898 5.636 -11.648 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.676 6.716 -12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.700 4.974 -12.326 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.945 4.826 -10.951 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.948 5.413 -9.639 1.00 0.00 H new ATOM 287 N GLU A 18 11.567 7.154 -9.602 1.00 0.00 N ATOM 288 CA GLU A 18 11.931 8.328 -8.821 1.00 0.00 C ATOM 289 C GLU A 18 13.388 8.267 -8.392 1.00 0.00 C ATOM 290 O GLU A 18 14.130 9.240 -8.525 1.00 0.00 O ATOM 291 CB GLU A 18 11.023 8.455 -7.594 1.00 0.00 C ATOM 292 CG GLU A 18 10.195 9.729 -7.581 1.00 0.00 C ATOM 293 CD GLU A 18 10.858 10.848 -6.802 1.00 0.00 C ATOM 294 OE1 GLU A 18 11.271 10.606 -5.649 1.00 0.00 O ATOM 295 OE2 GLU A 18 10.965 11.967 -7.346 1.00 0.00 O ATOM 0 H GLU A 18 12.323 6.481 -9.728 1.00 0.00 H new ATOM 0 HA GLU A 18 11.798 9.207 -9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.353 7.596 -7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.636 8.420 -6.693 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.024 10.057 -8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.218 9.518 -7.146 1.00 0.00 H new ATOM 302 N PHE A 19 13.788 7.117 -7.879 1.00 0.00 N ATOM 303 CA PHE A 19 15.163 6.922 -7.429 1.00 0.00 C ATOM 304 C PHE A 19 15.446 5.458 -7.089 1.00 0.00 C ATOM 305 O PHE A 19 15.927 4.700 -7.931 1.00 0.00 O ATOM 306 CB PHE A 19 15.453 7.814 -6.218 1.00 0.00 C ATOM 307 CG PHE A 19 16.103 9.120 -6.576 1.00 0.00 C ATOM 308 CD1 PHE A 19 17.278 9.144 -7.312 1.00 0.00 C ATOM 309 CD2 PHE A 19 15.540 10.322 -6.180 1.00 0.00 C ATOM 310 CE1 PHE A 19 17.878 10.343 -7.645 1.00 0.00 C ATOM 311 CE2 PHE A 19 16.137 11.525 -6.510 1.00 0.00 C ATOM 312 CZ PHE A 19 17.308 11.535 -7.243 1.00 0.00 C ATOM 0 H PHE A 19 13.185 6.303 -7.762 1.00 0.00 H new ATOM 0 HA PHE A 19 15.824 7.203 -8.249 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.519 8.014 -5.693 1.00 0.00 H new ATOM 0 HB3 PHE A 19 16.099 7.274 -5.526 1.00 0.00 H new ATOM 0 HD1 PHE A 19 17.729 8.215 -7.628 1.00 0.00 H new ATOM 0 HD2 PHE A 19 14.624 10.320 -5.607 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.793 10.348 -8.220 1.00 0.00 H new ATOM 0 HE2 PHE A 19 15.688 12.456 -6.195 1.00 0.00 H new ATOM 0 HZ PHE A 19 17.777 12.473 -7.501 1.00 0.00 H new ATOM 322 N ARG A 20 15.154 5.068 -5.848 1.00 0.00 N ATOM 323 CA ARG A 20 15.392 3.700 -5.400 1.00 0.00 C ATOM 324 C ARG A 20 14.077 2.976 -5.110 1.00 0.00 C ATOM 325 O ARG A 20 13.084 3.598 -4.735 1.00 0.00 O ATOM 326 CB ARG A 20 16.276 3.702 -4.150 1.00 0.00 C ATOM 327 CG ARG A 20 17.652 3.092 -4.376 1.00 0.00 C ATOM 328 CD ARG A 20 17.938 1.979 -3.381 1.00 0.00 C ATOM 329 NE ARG A 20 17.890 2.456 -2.001 1.00 0.00 N ATOM 330 CZ ARG A 20 17.508 1.708 -0.966 1.00 0.00 C ATOM 331 NH1 ARG A 20 17.158 0.440 -1.143 1.00 0.00 N ATOM 332 NH2 ARG A 20 17.481 2.231 0.252 1.00 0.00 N ATOM 0 H ARG A 20 14.753 5.681 -5.138 1.00 0.00 H new ATOM 0 HA ARG A 20 15.903 3.167 -6.201 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.395 4.728 -3.801 1.00 0.00 H new ATOM 0 HB3 ARG A 20 15.770 3.152 -3.356 1.00 0.00 H new ATOM 0 HG2 ARG A 20 17.715 2.699 -5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.414 3.866 -4.286 1.00 0.00 H new ATOM 0 HD2 ARG A 20 17.211 1.178 -3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 20 18.921 1.554 -3.584 1.00 0.00 H new ATOM 0 HE ARG A 20 18.166 3.421 -1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.180 0.030 -2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.867 -0.125 -0.345 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.752 3.204 0.395 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.189 1.661 1.046 1.00 0.00 H new ATOM 346 N PRO A 21 14.058 1.642 -5.288 1.00 0.00 N ATOM 347 CA PRO A 21 12.863 0.824 -5.051 1.00 0.00 C ATOM 348 C PRO A 21 12.549 0.647 -3.570 1.00 0.00 C ATOM 349 O PRO A 21 13.380 0.164 -2.800 1.00 0.00 O ATOM 350 CB PRO A 21 13.228 -0.520 -5.681 1.00 0.00 C ATOM 351 CG PRO A 21 14.712 -0.587 -5.588 1.00 0.00 C ATOM 352 CD PRO A 21 15.203 0.827 -5.739 1.00 0.00 C ATOM 0 HA PRO A 21 11.969 1.286 -5.471 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.760 -1.348 -5.149 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.893 -0.577 -6.717 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.024 -1.008 -4.632 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.123 -1.228 -6.368 1.00 0.00 H new ATOM 0 HD2 PRO A 21 16.090 1.011 -5.132 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.472 1.050 -6.772 1.00 0.00 H new ATOM 360 N PHE A 22 11.336 1.030 -3.182 1.00 0.00 N ATOM 361 CA PHE A 22 10.899 0.905 -1.796 1.00 0.00 C ATOM 362 C PHE A 22 10.477 -0.530 -1.502 1.00 0.00 C ATOM 363 O PHE A 22 10.757 -1.062 -0.429 1.00 0.00 O ATOM 364 CB PHE A 22 9.739 1.866 -1.520 1.00 0.00 C ATOM 365 CG PHE A 22 9.172 1.749 -0.134 1.00 0.00 C ATOM 366 CD1 PHE A 22 10.008 1.630 0.965 1.00 0.00 C ATOM 367 CD2 PHE A 22 7.801 1.758 0.070 1.00 0.00 C ATOM 368 CE1 PHE A 22 9.489 1.520 2.241 1.00 0.00 C ATOM 369 CE2 PHE A 22 7.276 1.650 1.343 1.00 0.00 C ATOM 370 CZ PHE A 22 8.121 1.532 2.430 1.00 0.00 C ATOM 0 H PHE A 22 10.638 1.430 -3.809 1.00 0.00 H new ATOM 0 HA PHE A 22 11.732 1.164 -1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.081 2.889 -1.677 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.946 1.681 -2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.079 1.623 0.822 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.136 1.850 -0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.152 1.425 3.088 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.206 1.658 1.489 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.712 1.449 3.426 1.00 0.00 H new ATOM 380 N VAL A 23 9.813 -1.153 -2.469 1.00 0.00 N ATOM 381 CA VAL A 23 9.363 -2.532 -2.321 1.00 0.00 C ATOM 382 C VAL A 23 10.532 -3.505 -2.440 1.00 0.00 C ATOM 383 O VAL A 23 10.382 -4.699 -2.184 1.00 0.00 O ATOM 384 CB VAL A 23 8.299 -2.895 -3.374 1.00 0.00 C ATOM 385 CG1 VAL A 23 7.024 -2.099 -3.143 1.00 0.00 C ATOM 386 CG2 VAL A 23 8.837 -2.662 -4.777 1.00 0.00 C ATOM 0 H VAL A 23 9.574 -0.725 -3.364 1.00 0.00 H new ATOM 0 HA VAL A 23 8.921 -2.615 -1.328 1.00 0.00 H new ATOM 0 HB VAL A 23 8.060 -3.954 -3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.285 -2.369 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.630 -2.323 -2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.242 -1.033 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.072 -2.924 -5.508 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.107 -1.612 -4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.719 -3.283 -4.936 1.00 0.00 H new ATOM 396 N ASP A 24 11.701 -2.990 -2.826 1.00 0.00 N ATOM 397 CA ASP A 24 12.892 -3.819 -2.969 1.00 0.00 C ATOM 398 C ASP A 24 13.086 -4.698 -1.739 1.00 0.00 C ATOM 399 O ASP A 24 13.604 -5.812 -1.833 1.00 0.00 O ATOM 400 CB ASP A 24 14.127 -2.942 -3.186 1.00 0.00 C ATOM 401 CG ASP A 24 15.022 -3.467 -4.292 1.00 0.00 C ATOM 402 OD1 ASP A 24 14.508 -4.167 -5.189 1.00 0.00 O ATOM 403 OD2 ASP A 24 16.237 -3.178 -4.259 1.00 0.00 O ATOM 0 H ASP A 24 11.845 -2.004 -3.044 1.00 0.00 H new ATOM 0 HA ASP A 24 12.758 -4.463 -3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.811 -1.928 -3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.696 -2.885 -2.258 1.00 0.00 H new ATOM 408 N TYR A 25 12.655 -4.193 -0.587 1.00 0.00 N ATOM 409 CA TYR A 25 12.768 -4.936 0.659 1.00 0.00 C ATOM 410 C TYR A 25 12.023 -6.261 0.549 1.00 0.00 C ATOM 411 O TYR A 25 12.462 -7.281 1.081 1.00 0.00 O ATOM 412 CB TYR A 25 12.229 -4.100 1.828 1.00 0.00 C ATOM 413 CG TYR A 25 10.721 -4.112 1.961 1.00 0.00 C ATOM 414 CD1 TYR A 25 9.910 -3.595 0.959 1.00 0.00 C ATOM 415 CD2 TYR A 25 10.110 -4.639 3.092 1.00 0.00 C ATOM 416 CE1 TYR A 25 8.533 -3.602 1.079 1.00 0.00 C ATOM 417 CE2 TYR A 25 8.733 -4.650 3.221 1.00 0.00 C ATOM 418 CZ TYR A 25 7.950 -4.130 2.212 1.00 0.00 C ATOM 419 OH TYR A 25 6.580 -4.138 2.336 1.00 0.00 O ATOM 0 H TYR A 25 12.225 -3.273 -0.493 1.00 0.00 H new ATOM 0 HA TYR A 25 13.820 -5.149 0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.667 -4.470 2.755 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.563 -3.070 1.706 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.363 -3.180 0.071 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.721 -5.047 3.884 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.917 -3.196 0.290 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.274 -5.063 4.107 1.00 0.00 H new ATOM 0 HH TYR A 25 6.331 -4.545 3.192 1.00 0.00 H new ATOM 429 N LYS A 26 10.904 -6.241 -0.169 1.00 0.00 N ATOM 430 CA LYS A 26 10.111 -7.444 -0.374 1.00 0.00 C ATOM 431 C LYS A 26 10.902 -8.452 -1.202 1.00 0.00 C ATOM 432 O LYS A 26 10.719 -9.663 -1.071 1.00 0.00 O ATOM 433 CB LYS A 26 8.795 -7.105 -1.076 1.00 0.00 C ATOM 434 CG LYS A 26 7.806 -8.258 -1.107 1.00 0.00 C ATOM 435 CD LYS A 26 6.493 -7.849 -1.754 1.00 0.00 C ATOM 436 CE LYS A 26 5.877 -8.997 -2.535 1.00 0.00 C ATOM 437 NZ LYS A 26 5.445 -10.108 -1.643 1.00 0.00 N ATOM 0 H LYS A 26 10.528 -5.405 -0.617 1.00 0.00 H new ATOM 0 HA LYS A 26 9.882 -7.881 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.333 -6.255 -0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.008 -6.793 -2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.238 -9.095 -1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.619 -8.606 -0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.796 -7.515 -0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.662 -7.003 -2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.020 -8.632 -3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.600 -9.373 -3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.030 -10.871 -2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.267 -10.474 -1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.736 -9.756 -0.969 1.00 0.00 H new ATOM 451 N ALA A 27 11.791 -7.938 -2.049 1.00 0.00 N ATOM 452 CA ALA A 27 12.625 -8.780 -2.895 1.00 0.00 C ATOM 453 C ALA A 27 13.636 -9.557 -2.058 1.00 0.00 C ATOM 454 O ALA A 27 14.072 -10.642 -2.442 1.00 0.00 O ATOM 455 CB ALA A 27 13.341 -7.933 -3.937 1.00 0.00 C ATOM 0 H ALA A 27 11.951 -6.937 -2.166 1.00 0.00 H new ATOM 0 HA ALA A 27 11.982 -9.497 -3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.961 -8.574 -4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.606 -7.421 -4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.970 -7.196 -3.437 1.00 0.00 H new ATOM 461 N GLY A 28 14.004 -8.995 -0.909 1.00 0.00 N ATOM 462 CA GLY A 28 14.960 -9.651 -0.036 1.00 0.00 C ATOM 463 C GLY A 28 14.434 -9.826 1.375 1.00 0.00 C ATOM 464 O GLY A 28 15.211 -9.928 2.325 1.00 0.00 O ATOM 0 H GLY A 28 13.657 -8.098 -0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.214 -10.627 -0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.880 -9.068 -0.007 1.00 0.00 H new ATOM 468 N LEU A 29 13.112 -9.857 1.516 1.00 0.00 N ATOM 469 CA LEU A 29 12.487 -10.018 2.825 1.00 0.00 C ATOM 470 C LEU A 29 12.488 -11.479 3.273 1.00 0.00 C ATOM 471 O LEU A 29 12.127 -11.784 4.410 1.00 0.00 O ATOM 472 CB LEU A 29 11.053 -9.485 2.796 1.00 0.00 C ATOM 473 CG LEU A 29 10.448 -9.183 4.169 1.00 0.00 C ATOM 474 CD1 LEU A 29 11.346 -8.236 4.949 1.00 0.00 C ATOM 475 CD2 LEU A 29 9.054 -8.597 4.019 1.00 0.00 C ATOM 0 H LEU A 29 12.454 -9.773 0.741 1.00 0.00 H new ATOM 0 HA LEU A 29 13.073 -9.444 3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.032 -8.574 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.421 -10.214 2.289 1.00 0.00 H new ATOM 0 HG LEU A 29 10.369 -10.117 4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.901 -8.032 5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.325 -8.694 5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 29 11.456 -7.302 4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.639 -8.388 5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.108 -7.672 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.414 -9.310 3.499 1.00 0.00 H new ATOM 487 N GLU A 30 12.895 -12.378 2.382 1.00 0.00 N ATOM 488 CA GLU A 30 12.936 -13.800 2.704 1.00 0.00 C ATOM 489 C GLU A 30 13.820 -14.560 1.721 1.00 0.00 C ATOM 490 O GLU A 30 13.464 -15.644 1.256 1.00 0.00 O ATOM 491 CB GLU A 30 11.523 -14.387 2.702 1.00 0.00 C ATOM 492 CG GLU A 30 11.412 -15.709 3.444 1.00 0.00 C ATOM 493 CD GLU A 30 11.347 -16.899 2.506 1.00 0.00 C ATOM 494 OE1 GLU A 30 10.694 -16.785 1.447 1.00 0.00 O ATOM 495 OE2 GLU A 30 11.949 -17.944 2.831 1.00 0.00 O ATOM 0 H GLU A 30 13.200 -12.149 1.436 1.00 0.00 H new ATOM 0 HA GLU A 30 13.364 -13.907 3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.839 -13.668 3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.200 -14.530 1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.268 -15.821 4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.521 -15.696 4.071 1.00 0.00 H new ATOM 502 N LYS A 31 14.976 -13.985 1.413 1.00 0.00 N ATOM 503 CA LYS A 31 15.919 -14.604 0.489 1.00 0.00 C ATOM 504 C LYS A 31 15.267 -14.853 -0.865 1.00 0.00 C ATOM 505 O LYS A 31 15.434 -15.916 -1.464 1.00 0.00 O ATOM 506 CB LYS A 31 16.449 -15.919 1.066 1.00 0.00 C ATOM 507 CG LYS A 31 16.848 -15.825 2.529 1.00 0.00 C ATOM 508 CD LYS A 31 17.404 -17.144 3.039 1.00 0.00 C ATOM 509 CE LYS A 31 16.349 -18.239 3.029 1.00 0.00 C ATOM 510 NZ LYS A 31 16.797 -19.436 2.263 1.00 0.00 N ATOM 0 H LYS A 31 15.284 -13.089 1.790 1.00 0.00 H new ATOM 0 HA LYS A 31 16.755 -13.918 0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.685 -16.689 0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 31 17.312 -16.240 0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 31 17.595 -15.041 2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.982 -15.538 3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 31 18.249 -17.447 2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 31 17.782 -17.012 4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 31 16.118 -18.530 4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.428 -17.852 2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.050 -20.159 2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 16.993 -19.165 1.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 17.661 -19.821 2.695 1.00 0.00 H new ATOM 524 N LYS A 32 14.524 -13.863 -1.340 1.00 0.00 N ATOM 525 CA LYS A 32 13.843 -13.964 -2.625 1.00 0.00 C ATOM 526 C LYS A 32 14.671 -13.327 -3.742 1.00 0.00 C ATOM 527 O LYS A 32 14.384 -13.518 -4.923 1.00 0.00 O ATOM 528 CB LYS A 32 12.465 -13.303 -2.549 1.00 0.00 C ATOM 529 CG LYS A 32 11.686 -13.363 -3.853 1.00 0.00 C ATOM 530 CD LYS A 32 10.188 -13.420 -3.604 1.00 0.00 C ATOM 531 CE LYS A 32 9.652 -12.081 -3.123 1.00 0.00 C ATOM 532 NZ LYS A 32 8.177 -11.978 -3.295 1.00 0.00 N ATOM 0 H LYS A 32 14.377 -12.978 -0.854 1.00 0.00 H new ATOM 0 HA LYS A 32 13.719 -15.022 -2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.882 -13.787 -1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.588 -12.260 -2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.922 -12.489 -4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.995 -14.239 -4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.676 -13.709 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.970 -14.188 -2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.905 -11.946 -2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.139 -11.276 -3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.836 -11.103 -2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.946 -11.962 -4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.717 -12.797 -2.848 1.00 0.00 H new ATOM 546 N LYS A 33 15.701 -12.572 -3.361 1.00 0.00 N ATOM 547 CA LYS A 33 16.568 -11.912 -4.333 1.00 0.00 C ATOM 548 C LYS A 33 15.803 -10.856 -5.121 1.00 0.00 C ATOM 549 O LYS A 33 14.632 -10.592 -4.852 1.00 0.00 O ATOM 550 CB LYS A 33 17.176 -12.939 -5.291 1.00 0.00 C ATOM 551 CG LYS A 33 17.732 -14.169 -4.591 1.00 0.00 C ATOM 552 CD LYS A 33 19.091 -14.564 -5.145 1.00 0.00 C ATOM 553 CE LYS A 33 19.016 -14.895 -6.627 1.00 0.00 C ATOM 554 NZ LYS A 33 17.845 -15.759 -6.944 1.00 0.00 N ATOM 0 H LYS A 33 15.954 -12.403 -2.387 1.00 0.00 H new ATOM 0 HA LYS A 33 17.370 -11.418 -3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.415 -13.251 -6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.974 -12.464 -5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.818 -13.972 -3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.036 -15.000 -4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 33 19.799 -13.750 -4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.471 -15.427 -4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.952 -13.972 -7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.933 -15.399 -6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.946 -16.142 -7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.798 -16.543 -6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.972 -15.196 -6.885 1.00 0.00 H new ATOM 568 N LEU A 34 16.476 -10.255 -6.097 1.00 0.00 N ATOM 569 CA LEU A 34 15.859 -9.225 -6.928 1.00 0.00 C ATOM 570 C LEU A 34 15.481 -9.783 -8.297 1.00 0.00 C ATOM 571 O LEU A 34 16.345 -10.202 -9.069 1.00 0.00 O ATOM 572 CB LEU A 34 16.799 -8.024 -7.093 1.00 0.00 C ATOM 573 CG LEU A 34 18.288 -8.315 -6.890 1.00 0.00 C ATOM 574 CD1 LEU A 34 19.136 -7.253 -7.571 1.00 0.00 C ATOM 575 CD2 LEU A 34 18.616 -8.391 -5.406 1.00 0.00 C ATOM 0 H LEU A 34 17.447 -10.462 -6.332 1.00 0.00 H new ATOM 0 HA LEU A 34 14.951 -8.893 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 34 16.661 -7.612 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 34 16.499 -7.251 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 34 18.517 -9.279 -7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 34 20.192 -7.476 -7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.920 -7.245 -8.639 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.906 -6.276 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 34 19.678 -8.599 -5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.372 -7.441 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.033 -9.188 -4.945 1.00 0.00 H new ATOM 587 N SER A 35 14.184 -9.786 -8.590 1.00 0.00 N ATOM 588 CA SER A 35 13.689 -10.292 -9.866 1.00 0.00 C ATOM 589 C SER A 35 13.394 -9.145 -10.828 1.00 0.00 C ATOM 590 O SER A 35 12.628 -8.237 -10.509 1.00 0.00 O ATOM 591 CB SER A 35 12.426 -11.128 -9.649 1.00 0.00 C ATOM 592 OG SER A 35 12.351 -11.605 -8.317 1.00 0.00 O ATOM 0 H SER A 35 13.457 -9.444 -7.961 1.00 0.00 H new ATOM 0 HA SER A 35 14.463 -10.921 -10.305 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.545 -10.526 -9.873 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.421 -11.970 -10.341 1.00 0.00 H new ATOM 0 HG SER A 35 11.534 -12.135 -8.205 1.00 0.00 H new ATOM 598 N ASP A 36 14.006 -9.196 -12.006 1.00 0.00 N ATOM 599 CA ASP A 36 13.808 -8.163 -13.017 1.00 0.00 C ATOM 600 C ASP A 36 12.388 -8.203 -13.578 1.00 0.00 C ATOM 601 O ASP A 36 11.932 -7.243 -14.201 1.00 0.00 O ATOM 602 CB ASP A 36 14.822 -8.333 -14.151 1.00 0.00 C ATOM 603 CG ASP A 36 14.869 -9.754 -14.677 1.00 0.00 C ATOM 604 OD1 ASP A 36 13.965 -10.130 -15.455 1.00 0.00 O ATOM 605 OD2 ASP A 36 15.808 -10.492 -14.312 1.00 0.00 O ATOM 0 H ASP A 36 14.644 -9.942 -12.285 1.00 0.00 H new ATOM 0 HA ASP A 36 13.959 -7.194 -12.541 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.568 -7.655 -14.966 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.812 -8.047 -13.795 1.00 0.00 H new ATOM 610 N ASP A 37 11.692 -9.315 -13.356 1.00 0.00 N ATOM 611 CA ASP A 37 10.326 -9.470 -13.843 1.00 0.00 C ATOM 612 C ASP A 37 9.313 -9.190 -12.735 1.00 0.00 C ATOM 613 O ASP A 37 8.181 -9.673 -12.781 1.00 0.00 O ATOM 614 CB ASP A 37 10.118 -10.881 -14.396 1.00 0.00 C ATOM 615 CG ASP A 37 9.313 -10.886 -15.682 1.00 0.00 C ATOM 616 OD1 ASP A 37 8.294 -10.167 -15.747 1.00 0.00 O ATOM 617 OD2 ASP A 37 9.702 -11.608 -16.624 1.00 0.00 O ATOM 0 H ASP A 37 12.051 -10.120 -12.843 1.00 0.00 H new ATOM 0 HA ASP A 37 10.169 -8.746 -14.642 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.088 -11.344 -14.576 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.608 -11.489 -13.649 1.00 0.00 H new ATOM 622 N ASP A 38 9.725 -8.408 -11.742 1.00 0.00 N ATOM 623 CA ASP A 38 8.851 -8.065 -10.626 1.00 0.00 C ATOM 624 C ASP A 38 7.698 -7.180 -11.090 1.00 0.00 C ATOM 625 O ASP A 38 7.769 -6.558 -12.150 1.00 0.00 O ATOM 626 CB ASP A 38 9.647 -7.355 -9.529 1.00 0.00 C ATOM 627 CG ASP A 38 8.872 -7.245 -8.230 1.00 0.00 C ATOM 628 OD1 ASP A 38 8.743 -8.269 -7.528 1.00 0.00 O ATOM 629 OD2 ASP A 38 8.394 -6.134 -7.915 1.00 0.00 O ATOM 0 H ASP A 38 10.658 -8.000 -11.688 1.00 0.00 H new ATOM 0 HA ASP A 38 8.435 -8.989 -10.224 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.576 -7.897 -9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.921 -6.357 -9.871 1.00 0.00 H new ATOM 634 N GLU A 39 6.637 -7.126 -10.290 1.00 0.00 N ATOM 635 CA GLU A 39 5.470 -6.317 -10.622 1.00 0.00 C ATOM 636 C GLU A 39 4.621 -6.048 -9.383 1.00 0.00 C ATOM 637 O GLU A 39 4.124 -6.976 -8.745 1.00 0.00 O ATOM 638 CB GLU A 39 4.627 -7.015 -11.691 1.00 0.00 C ATOM 639 CG GLU A 39 5.196 -6.889 -13.094 1.00 0.00 C ATOM 640 CD GLU A 39 4.117 -6.765 -14.152 1.00 0.00 C ATOM 641 OE1 GLU A 39 3.617 -7.812 -14.615 1.00 0.00 O ATOM 642 OE2 GLU A 39 3.774 -5.622 -14.519 1.00 0.00 O ATOM 0 H GLU A 39 6.562 -7.633 -9.408 1.00 0.00 H new ATOM 0 HA GLU A 39 5.821 -5.362 -11.012 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.537 -8.071 -11.438 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.620 -6.597 -11.678 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.847 -6.016 -13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.814 -7.760 -13.311 1.00 0.00 H new ATOM 649 N ILE A 40 4.458 -4.771 -9.049 1.00 0.00 N ATOM 650 CA ILE A 40 3.667 -4.379 -7.888 1.00 0.00 C ATOM 651 C ILE A 40 3.029 -3.006 -8.093 1.00 0.00 C ATOM 652 O ILE A 40 3.469 -2.227 -8.937 1.00 0.00 O ATOM 653 CB ILE A 40 4.525 -4.345 -6.606 1.00 0.00 C ATOM 654 CG1 ILE A 40 5.371 -5.616 -6.497 1.00 0.00 C ATOM 655 CG2 ILE A 40 3.640 -4.184 -5.380 1.00 0.00 C ATOM 656 CD1 ILE A 40 6.238 -5.660 -5.256 1.00 0.00 C ATOM 0 H ILE A 40 4.863 -3.991 -9.566 1.00 0.00 H new ATOM 0 HA ILE A 40 2.884 -5.129 -7.774 1.00 0.00 H new ATOM 0 HB ILE A 40 5.197 -3.488 -6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.711 -6.484 -6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.007 -5.696 -7.378 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.260 -4.162 -4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.079 -3.253 -5.456 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.946 -5.022 -5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.810 -6.588 -5.244 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.923 -4.812 -5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.606 -5.612 -4.369 1.00 0.00 H new ATOM 668 N ALA A 41 1.989 -2.718 -7.318 1.00 0.00 N ATOM 669 CA ALA A 41 1.294 -1.439 -7.420 1.00 0.00 C ATOM 670 C ALA A 41 0.768 -0.988 -6.060 1.00 0.00 C ATOM 671 O ALA A 41 0.340 -1.805 -5.246 1.00 0.00 O ATOM 672 CB ALA A 41 0.153 -1.538 -8.421 1.00 0.00 C ATOM 0 H ALA A 41 1.609 -3.351 -6.614 1.00 0.00 H new ATOM 0 HA ALA A 41 2.008 -0.693 -7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.357 -0.577 -8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.550 -1.806 -9.400 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.553 -2.302 -8.094 1.00 0.00 H new ATOM 678 N ILE A 42 0.800 0.321 -5.824 1.00 0.00 N ATOM 679 CA ILE A 42 0.323 0.884 -4.565 1.00 0.00 C ATOM 680 C ILE A 42 -0.763 1.927 -4.809 1.00 0.00 C ATOM 681 O ILE A 42 -0.607 2.815 -5.647 1.00 0.00 O ATOM 682 CB ILE A 42 1.465 1.530 -3.750 1.00 0.00 C ATOM 683 CG1 ILE A 42 2.517 2.157 -4.678 1.00 0.00 C ATOM 684 CG2 ILE A 42 2.097 0.505 -2.817 1.00 0.00 C ATOM 685 CD1 ILE A 42 3.496 1.166 -5.281 1.00 0.00 C ATOM 0 H ILE A 42 1.151 1.011 -6.488 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.088 0.053 -3.991 1.00 0.00 H new ATOM 0 HB ILE A 42 1.043 2.330 -3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.005 2.680 -5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.077 2.906 -4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.900 0.976 -2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.342 0.124 -2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.502 -0.320 -3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.202 1.695 -5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.039 0.660 -4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.951 0.430 -5.872 1.00 0.00 H new ATOM 697 N ILE A 43 -1.865 1.811 -4.075 1.00 0.00 N ATOM 698 CA ILE A 43 -2.979 2.741 -4.214 1.00 0.00 C ATOM 699 C ILE A 43 -3.215 3.519 -2.923 1.00 0.00 C ATOM 700 O ILE A 43 -3.556 2.939 -1.891 1.00 0.00 O ATOM 701 CB ILE A 43 -4.279 2.006 -4.602 1.00 0.00 C ATOM 702 CG1 ILE A 43 -3.997 0.956 -5.680 1.00 0.00 C ATOM 703 CG2 ILE A 43 -5.327 2.999 -5.083 1.00 0.00 C ATOM 704 CD1 ILE A 43 -3.477 1.543 -6.974 1.00 0.00 C ATOM 0 H ILE A 43 -2.010 1.081 -3.377 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.711 3.437 -5.009 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.667 1.497 -3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.270 0.240 -5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.913 0.402 -5.884 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.238 2.465 -5.353 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.546 3.711 -4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.949 3.534 -5.954 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.299 0.742 -7.691 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.213 2.237 -7.380 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.544 2.073 -6.784 1.00 0.00 H new ATOM 716 N SER A 44 -3.030 4.834 -2.986 1.00 0.00 N ATOM 717 CA SER A 44 -3.221 5.693 -1.823 1.00 0.00 C ATOM 718 C SER A 44 -4.630 6.268 -1.795 1.00 0.00 C ATOM 719 O SER A 44 -5.184 6.629 -2.834 1.00 0.00 O ATOM 720 CB SER A 44 -2.197 6.828 -1.826 1.00 0.00 C ATOM 721 OG SER A 44 -2.515 7.798 -2.809 1.00 0.00 O ATOM 0 H SER A 44 -2.747 5.329 -3.832 1.00 0.00 H new ATOM 0 HA SER A 44 -3.078 5.085 -0.930 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.167 7.298 -0.843 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.203 6.425 -2.017 1.00 0.00 H new ATOM 0 HG SER A 44 -2.795 7.348 -3.634 1.00 0.00 H new ATOM 727 N ILE A 45 -5.210 6.349 -0.601 1.00 0.00 N ATOM 728 CA ILE A 45 -6.558 6.883 -0.449 1.00 0.00 C ATOM 729 C ILE A 45 -6.740 7.531 0.915 1.00 0.00 C ATOM 730 O ILE A 45 -7.825 7.476 1.497 1.00 0.00 O ATOM 731 CB ILE A 45 -7.621 5.781 -0.627 1.00 0.00 C ATOM 732 CG1 ILE A 45 -7.310 4.590 0.281 1.00 0.00 C ATOM 733 CG2 ILE A 45 -7.692 5.342 -2.082 1.00 0.00 C ATOM 734 CD1 ILE A 45 -8.351 3.493 0.216 1.00 0.00 C ATOM 0 H ILE A 45 -4.770 6.053 0.270 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.690 7.635 -1.226 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.593 6.185 -0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.340 4.176 0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.226 4.940 1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.447 4.564 -2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.957 6.195 -2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.722 4.953 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.066 2.681 0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.319 3.891 0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.419 3.116 -0.804 1.00 0.00 H new ATOM 746 N LYS A 46 -5.669 8.141 1.425 1.00 0.00 N ATOM 747 CA LYS A 46 -5.700 8.798 2.729 1.00 0.00 C ATOM 748 C LYS A 46 -6.462 7.953 3.746 1.00 0.00 C ATOM 749 O LYS A 46 -7.187 8.478 4.591 1.00 0.00 O ATOM 750 CB LYS A 46 -6.324 10.195 2.617 1.00 0.00 C ATOM 751 CG LYS A 46 -7.836 10.196 2.427 1.00 0.00 C ATOM 752 CD LYS A 46 -8.506 11.267 3.277 1.00 0.00 C ATOM 753 CE LYS A 46 -9.282 12.257 2.423 1.00 0.00 C ATOM 754 NZ LYS A 46 -9.582 13.514 3.162 1.00 0.00 N ATOM 0 H LYS A 46 -4.767 8.193 0.951 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.673 8.906 3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.083 10.760 3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.864 10.719 1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.071 10.364 1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.237 9.217 2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.181 10.796 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.750 11.799 3.855 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.707 12.491 1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.214 11.799 2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.112 14.162 2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.152 13.294 4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.692 13.965 3.455 1.00 0.00 H new ATOM 768 N GLY A 47 -6.295 6.639 3.647 1.00 0.00 N ATOM 769 CA GLY A 47 -6.973 5.728 4.550 1.00 0.00 C ATOM 770 C GLY A 47 -6.404 5.754 5.956 1.00 0.00 C ATOM 771 O GLY A 47 -6.087 4.704 6.517 1.00 0.00 O ATOM 0 H GLY A 47 -5.699 6.187 2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.032 5.984 4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.904 4.715 4.155 1.00 0.00 H new ATOM 775 N THR A 48 -6.275 6.952 6.531 1.00 0.00 N ATOM 776 CA THR A 48 -5.739 7.111 7.882 1.00 0.00 C ATOM 777 C THR A 48 -4.554 6.179 8.120 1.00 0.00 C ATOM 778 O THR A 48 -4.338 5.705 9.236 1.00 0.00 O ATOM 779 CB THR A 48 -6.829 6.843 8.921 1.00 0.00 C ATOM 780 OG1 THR A 48 -7.521 5.643 8.625 1.00 0.00 O ATOM 781 CG2 THR A 48 -7.853 7.954 9.013 1.00 0.00 C ATOM 0 H THR A 48 -6.536 7.828 6.079 1.00 0.00 H new ATOM 0 HA THR A 48 -5.391 8.139 7.984 1.00 0.00 H new ATOM 0 HB THR A 48 -6.307 6.771 9.875 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.876 4.916 8.497 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.597 7.701 9.768 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.357 8.884 9.290 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.343 8.078 8.047 1.00 0.00 H new ATOM 789 N GLN A 49 -3.795 5.913 7.062 1.00 0.00 N ATOM 790 CA GLN A 49 -2.641 5.030 7.158 1.00 0.00 C ATOM 791 C GLN A 49 -1.538 5.451 6.190 1.00 0.00 C ATOM 792 O GLN A 49 -0.538 6.037 6.602 1.00 0.00 O ATOM 793 CB GLN A 49 -3.057 3.586 6.877 1.00 0.00 C ATOM 794 CG GLN A 49 -3.591 2.857 8.099 1.00 0.00 C ATOM 795 CD GLN A 49 -2.581 2.803 9.229 1.00 0.00 C ATOM 796 OE1 GLN A 49 -2.892 3.139 10.373 1.00 0.00 O ATOM 797 NE2 GLN A 49 -1.364 2.379 8.913 1.00 0.00 N ATOM 0 H GLN A 49 -3.959 6.296 6.131 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.248 5.102 8.172 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.821 3.582 6.099 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.199 3.040 6.484 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.496 3.354 8.448 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.873 1.842 7.819 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.151 2.111 7.952 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.642 2.321 9.631 1.00 0.00 H new ATOM 806 N SER A 50 -1.730 5.140 4.903 1.00 0.00 N ATOM 807 CA SER A 50 -0.759 5.469 3.855 1.00 0.00 C ATOM 808 C SER A 50 -0.822 4.430 2.743 1.00 0.00 C ATOM 809 O SER A 50 0.048 3.567 2.636 1.00 0.00 O ATOM 810 CB SER A 50 0.670 5.539 4.411 1.00 0.00 C ATOM 811 OG SER A 50 1.630 5.407 3.376 1.00 0.00 O ATOM 0 H SER A 50 -2.559 4.655 4.560 1.00 0.00 H new ATOM 0 HA SER A 50 -1.018 6.451 3.459 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.816 6.488 4.927 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.815 4.749 5.148 1.00 0.00 H new ATOM 0 HG SER A 50 1.550 4.520 2.967 1.00 0.00 H new ATOM 817 N ASN A 51 -1.865 4.516 1.924 1.00 0.00 N ATOM 818 CA ASN A 51 -2.061 3.584 0.817 1.00 0.00 C ATOM 819 C ASN A 51 -1.863 2.137 1.262 1.00 0.00 C ATOM 820 O ASN A 51 -1.738 1.852 2.454 1.00 0.00 O ATOM 821 CB ASN A 51 -1.106 3.917 -0.338 1.00 0.00 C ATOM 822 CG ASN A 51 0.341 3.574 -0.029 1.00 0.00 C ATOM 823 OD1 ASN A 51 1.074 4.383 0.541 1.00 0.00 O ATOM 824 ND2 ASN A 51 0.759 2.372 -0.408 1.00 0.00 N ATOM 0 H ASN A 51 -2.592 5.226 2.006 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.089 3.692 0.472 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.420 3.374 -1.230 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.180 4.980 -0.569 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.722 2.087 -0.230 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.117 1.733 -0.878 1.00 0.00 H new ATOM 831 N HIS A 52 -1.831 1.228 0.293 1.00 0.00 N ATOM 832 CA HIS A 52 -1.645 -0.192 0.573 1.00 0.00 C ATOM 833 C HIS A 52 -0.960 -0.886 -0.599 1.00 0.00 C ATOM 834 O HIS A 52 -1.296 -0.642 -1.757 1.00 0.00 O ATOM 835 CB HIS A 52 -2.990 -0.859 0.865 1.00 0.00 C ATOM 836 CG HIS A 52 -3.939 -0.828 -0.294 1.00 0.00 C ATOM 837 ND1 HIS A 52 -4.923 0.129 -0.436 1.00 0.00 N ATOM 838 CD2 HIS A 52 -4.051 -1.643 -1.370 1.00 0.00 C ATOM 839 CE1 HIS A 52 -5.599 -0.100 -1.548 1.00 0.00 C ATOM 840 NE2 HIS A 52 -5.089 -1.168 -2.133 1.00 0.00 N ATOM 0 H HIS A 52 -1.932 1.450 -0.697 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.008 -0.285 1.452 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.817 -1.896 1.154 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.454 -0.363 1.717 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -3.438 -2.505 -1.587 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -6.428 0.487 -1.916 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -5.414 -1.575 -3.010 1.00 0.00 H new ATOM 849 N VAL A 53 0.006 -1.747 -0.293 1.00 0.00 N ATOM 850 CA VAL A 53 0.739 -2.469 -1.326 1.00 0.00 C ATOM 851 C VAL A 53 -0.146 -3.507 -2.007 1.00 0.00 C ATOM 852 O VAL A 53 -0.898 -4.226 -1.348 1.00 0.00 O ATOM 853 CB VAL A 53 1.984 -3.172 -0.750 1.00 0.00 C ATOM 854 CG1 VAL A 53 2.820 -3.783 -1.865 1.00 0.00 C ATOM 855 CG2 VAL A 53 2.814 -2.198 0.073 1.00 0.00 C ATOM 0 H VAL A 53 0.299 -1.961 0.660 1.00 0.00 H new ATOM 0 HA VAL A 53 1.057 -1.728 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 53 1.651 -3.977 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.694 -4.274 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.222 -4.515 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.143 -2.998 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.689 -2.712 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.136 -1.370 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.213 -1.813 0.897 1.00 0.00 H new ATOM 865 N LEU A 54 -0.051 -3.578 -3.330 1.00 0.00 N ATOM 866 CA LEU A 54 -0.842 -4.527 -4.104 1.00 0.00 C ATOM 867 C LEU A 54 0.052 -5.360 -5.017 1.00 0.00 C ATOM 868 O LEU A 54 0.562 -4.867 -6.022 1.00 0.00 O ATOM 869 CB LEU A 54 -1.894 -3.789 -4.933 1.00 0.00 C ATOM 870 CG LEU A 54 -3.134 -4.611 -5.287 1.00 0.00 C ATOM 871 CD1 LEU A 54 -2.747 -5.835 -6.102 1.00 0.00 C ATOM 872 CD2 LEU A 54 -3.878 -5.022 -4.025 1.00 0.00 C ATOM 0 H LEU A 54 0.566 -2.989 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.345 -5.198 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.210 -2.902 -4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.430 -3.444 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.797 -3.992 -5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.642 -6.408 -6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.257 -5.519 -7.023 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.064 -6.457 -5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.758 -5.606 -4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.222 -5.624 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.188 -4.131 -3.479 1.00 0.00 H new ATOM 884 N PHE A 55 0.237 -6.626 -4.658 1.00 0.00 N ATOM 885 CA PHE A 55 1.070 -7.529 -5.444 1.00 0.00 C ATOM 886 C PHE A 55 0.356 -7.955 -6.723 1.00 0.00 C ATOM 887 O PHE A 55 -0.801 -8.376 -6.689 1.00 0.00 O ATOM 888 CB PHE A 55 1.443 -8.762 -4.618 1.00 0.00 C ATOM 889 CG PHE A 55 2.340 -9.725 -5.345 1.00 0.00 C ATOM 890 CD1 PHE A 55 3.425 -9.265 -6.075 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.098 -11.088 -5.298 1.00 0.00 C ATOM 892 CE1 PHE A 55 4.251 -10.149 -6.745 1.00 0.00 C ATOM 893 CE2 PHE A 55 2.920 -11.976 -5.965 1.00 0.00 C ATOM 894 CZ PHE A 55 3.998 -11.505 -6.690 1.00 0.00 C ATOM 0 H PHE A 55 -0.178 -7.050 -3.828 1.00 0.00 H new ATOM 0 HA PHE A 55 1.980 -6.996 -5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.937 -8.439 -3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.531 -9.280 -4.322 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.627 -8.205 -6.121 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.257 -11.461 -4.733 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.093 -9.779 -7.311 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.720 -13.036 -5.920 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.642 -12.197 -7.213 1.00 0.00 H new ATOM 904 N LEU A 56 1.053 -7.842 -7.849 1.00 0.00 N ATOM 905 CA LEU A 56 0.488 -8.217 -9.140 1.00 0.00 C ATOM 906 C LEU A 56 1.139 -9.490 -9.666 1.00 0.00 C ATOM 907 O LEU A 56 2.325 -9.503 -9.997 1.00 0.00 O ATOM 908 CB LEU A 56 0.671 -7.080 -10.148 1.00 0.00 C ATOM 909 CG LEU A 56 0.306 -5.688 -9.630 1.00 0.00 C ATOM 910 CD1 LEU A 56 1.144 -4.626 -10.322 1.00 0.00 C ATOM 911 CD2 LEU A 56 -1.177 -5.416 -9.834 1.00 0.00 C ATOM 0 H LEU A 56 2.011 -7.494 -7.893 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.577 -8.405 -9.005 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.711 -7.068 -10.474 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.064 -7.294 -11.028 1.00 0.00 H new ATOM 0 HG LEU A 56 0.518 -5.651 -8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.871 -3.642 -9.941 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.200 -4.811 -10.126 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.963 -4.662 -11.396 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.419 -4.421 -9.460 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.414 -5.472 -10.896 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.761 -6.160 -9.292 1.00 0.00 H new ATOM 923 N SER A 57 0.356 -10.562 -9.742 1.00 0.00 N ATOM 924 CA SER A 57 0.856 -11.843 -10.227 1.00 0.00 C ATOM 925 C SER A 57 1.043 -11.819 -11.740 1.00 0.00 C ATOM 926 O SER A 57 2.167 -11.873 -12.238 1.00 0.00 O ATOM 927 CB SER A 57 -0.104 -12.969 -9.837 1.00 0.00 C ATOM 928 OG SER A 57 0.453 -14.238 -10.132 1.00 0.00 O ATOM 0 H SER A 57 -0.628 -10.568 -9.474 1.00 0.00 H new ATOM 0 HA SER A 57 1.826 -12.024 -9.764 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.330 -12.906 -8.773 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.047 -12.849 -10.371 1.00 0.00 H new ATOM 0 HG SER A 57 -0.179 -14.941 -9.872 1.00 0.00 H new ATOM 934 N SER A 58 -0.067 -11.739 -12.467 1.00 0.00 N ATOM 935 CA SER A 58 -0.026 -11.709 -13.925 1.00 0.00 C ATOM 936 C SER A 58 -0.748 -10.480 -14.465 1.00 0.00 C ATOM 937 O SER A 58 -1.471 -9.801 -13.736 1.00 0.00 O ATOM 938 CB SER A 58 -0.657 -12.979 -14.500 1.00 0.00 C ATOM 939 OG SER A 58 -0.205 -14.132 -13.809 1.00 0.00 O ATOM 0 H SER A 58 -1.006 -11.694 -12.071 1.00 0.00 H new ATOM 0 HA SER A 58 1.018 -11.659 -14.233 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.743 -12.912 -14.431 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.409 -13.065 -15.558 1.00 0.00 H new ATOM 0 HG SER A 58 -0.624 -14.930 -14.194 1.00 0.00 H new ATOM 945 N TYR A 59 -0.547 -10.200 -15.749 1.00 0.00 N ATOM 946 CA TYR A 59 -1.179 -9.053 -16.389 1.00 0.00 C ATOM 947 C TYR A 59 -1.028 -9.125 -17.906 1.00 0.00 C ATOM 948 O TYR A 59 -0.073 -8.592 -18.471 1.00 0.00 O ATOM 949 CB TYR A 59 -0.571 -7.751 -15.862 1.00 0.00 C ATOM 950 CG TYR A 59 -1.600 -6.750 -15.389 1.00 0.00 C ATOM 951 CD1 TYR A 59 -2.117 -6.811 -14.100 1.00 0.00 C ATOM 952 CD2 TYR A 59 -2.054 -5.741 -16.230 1.00 0.00 C ATOM 953 CE1 TYR A 59 -3.057 -5.897 -13.663 1.00 0.00 C ATOM 954 CE2 TYR A 59 -2.994 -4.824 -15.800 1.00 0.00 C ATOM 955 CZ TYR A 59 -3.491 -4.905 -14.518 1.00 0.00 C ATOM 956 OH TYR A 59 -4.426 -3.992 -14.087 1.00 0.00 O ATOM 0 H TYR A 59 0.049 -10.752 -16.366 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.242 -9.072 -16.148 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.104 -7.983 -15.038 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.031 -7.296 -16.649 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.778 -7.586 -13.428 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.666 -5.673 -17.236 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.449 -5.959 -12.659 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.338 -4.047 -16.467 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.998 -4.406 -13.407 1.00 0.00 H new ATOM 966 N ASN A 60 -1.976 -9.789 -18.559 1.00 0.00 N ATOM 967 CA ASN A 60 -1.948 -9.930 -20.010 1.00 0.00 C ATOM 968 C ASN A 60 -3.011 -9.052 -20.667 1.00 0.00 C ATOM 969 O ASN A 60 -3.499 -9.361 -21.754 1.00 0.00 O ATOM 970 CB ASN A 60 -2.159 -11.395 -20.405 1.00 0.00 C ATOM 971 CG ASN A 60 -0.925 -12.006 -21.040 1.00 0.00 C ATOM 972 OD1 ASN A 60 -0.416 -13.027 -20.578 1.00 0.00 O ATOM 973 ND2 ASN A 60 -0.437 -11.379 -22.104 1.00 0.00 N ATOM 0 H ASN A 60 -2.773 -10.238 -18.107 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.970 -9.603 -20.362 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.432 -11.971 -19.521 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.995 -11.464 -21.101 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.393 -11.741 -22.573 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.892 -10.535 -22.452 1.00 0.00 H new ATOM 980 N SER A 61 -3.362 -7.957 -20.000 1.00 0.00 N ATOM 981 CA SER A 61 -4.364 -7.033 -20.521 1.00 0.00 C ATOM 982 C SER A 61 -5.687 -7.748 -20.784 1.00 0.00 C ATOM 983 O SER A 61 -6.326 -7.533 -21.815 1.00 0.00 O ATOM 984 CB SER A 61 -3.860 -6.376 -21.808 1.00 0.00 C ATOM 985 OG SER A 61 -2.948 -5.330 -21.523 1.00 0.00 O ATOM 0 H SER A 61 -2.968 -7.688 -19.099 1.00 0.00 H new ATOM 0 HA SER A 61 -4.535 -6.263 -19.769 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.376 -7.124 -22.436 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.704 -5.982 -22.374 1.00 0.00 H new ATOM 0 HG SER A 61 -2.639 -4.928 -22.362 1.00 0.00 H new ATOM 991 N VAL A 62 -6.093 -8.604 -19.849 1.00 0.00 N ATOM 992 CA VAL A 62 -7.339 -9.352 -19.988 1.00 0.00 C ATOM 993 C VAL A 62 -8.536 -8.587 -19.428 1.00 0.00 C ATOM 994 O VAL A 62 -9.561 -9.185 -19.105 1.00 0.00 O ATOM 995 CB VAL A 62 -7.254 -10.727 -19.299 1.00 0.00 C ATOM 996 CG1 VAL A 62 -6.195 -11.594 -19.962 1.00 0.00 C ATOM 997 CG2 VAL A 62 -6.969 -10.568 -17.816 1.00 0.00 C ATOM 0 H VAL A 62 -5.579 -8.796 -18.989 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.486 -9.494 -21.059 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.218 -11.224 -19.408 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.150 -12.561 -19.461 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.450 -11.741 -21.012 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.225 -11.103 -19.889 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.913 -11.551 -17.349 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.021 -10.048 -17.681 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.769 -9.991 -17.352 1.00 0.00 H new ATOM 1007 N ASP A 63 -8.409 -7.265 -19.325 1.00 0.00 N ATOM 1008 CA ASP A 63 -9.492 -6.427 -18.813 1.00 0.00 C ATOM 1009 C ASP A 63 -9.732 -6.676 -17.327 1.00 0.00 C ATOM 1010 O ASP A 63 -9.586 -5.773 -16.506 1.00 0.00 O ATOM 1011 CB ASP A 63 -10.780 -6.678 -19.598 1.00 0.00 C ATOM 1012 CG ASP A 63 -11.836 -5.624 -19.327 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -11.474 -4.528 -18.851 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -13.027 -5.895 -19.591 1.00 0.00 O ATOM 0 H ASP A 63 -7.568 -6.752 -19.589 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.193 -5.387 -18.941 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.555 -6.697 -20.664 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.175 -7.660 -19.338 1.00 0.00 H new ATOM 1019 N GLU A 64 -10.107 -7.907 -16.989 1.00 0.00 N ATOM 1020 CA GLU A 64 -10.371 -8.276 -15.601 1.00 0.00 C ATOM 1021 C GLU A 64 -9.256 -7.788 -14.682 1.00 0.00 C ATOM 1022 O GLU A 64 -9.505 -7.415 -13.535 1.00 0.00 O ATOM 1023 CB GLU A 64 -10.519 -9.794 -15.476 1.00 0.00 C ATOM 1024 CG GLU A 64 -11.453 -10.403 -16.509 1.00 0.00 C ATOM 1025 CD GLU A 64 -11.864 -11.820 -16.160 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -11.113 -12.758 -16.501 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -12.937 -11.992 -15.543 1.00 0.00 O ATOM 0 H GLU A 64 -10.235 -8.666 -17.658 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.302 -7.797 -15.297 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.536 -10.255 -15.571 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.888 -10.033 -14.479 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.344 -9.782 -16.599 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.963 -10.400 -17.483 1.00 0.00 H new ATOM 1034 N ILE A 65 -8.028 -7.795 -15.188 1.00 0.00 N ATOM 1035 CA ILE A 65 -6.882 -7.351 -14.399 1.00 0.00 C ATOM 1036 C ILE A 65 -6.902 -5.838 -14.178 1.00 0.00 C ATOM 1037 O ILE A 65 -6.311 -5.333 -13.223 1.00 0.00 O ATOM 1038 CB ILE A 65 -5.538 -7.753 -15.051 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -5.239 -6.891 -16.286 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -5.549 -9.228 -15.419 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -6.222 -7.082 -17.419 1.00 0.00 C ATOM 0 H ILE A 65 -7.800 -8.101 -16.134 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.966 -7.853 -13.435 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.745 -7.580 -14.324 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.237 -5.841 -15.992 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.236 -7.123 -16.645 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.597 -9.496 -15.877 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.701 -9.826 -14.520 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.357 -9.421 -16.124 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.944 -6.439 -18.254 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.208 -8.123 -17.741 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.224 -6.821 -17.079 1.00 0.00 H new ATOM 1053 N ARG A 66 -7.578 -5.121 -15.069 1.00 0.00 N ATOM 1054 CA ARG A 66 -7.669 -3.667 -14.976 1.00 0.00 C ATOM 1055 C ARG A 66 -8.685 -3.240 -13.922 1.00 0.00 C ATOM 1056 O ARG A 66 -8.320 -2.718 -12.869 1.00 0.00 O ATOM 1057 CB ARG A 66 -8.048 -3.077 -16.336 1.00 0.00 C ATOM 1058 CG ARG A 66 -8.133 -1.560 -16.342 1.00 0.00 C ATOM 1059 CD ARG A 66 -9.102 -1.060 -17.402 1.00 0.00 C ATOM 1060 NE ARG A 66 -9.919 0.049 -16.917 1.00 0.00 N ATOM 1061 CZ ARG A 66 -11.070 0.421 -17.473 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -11.545 -0.225 -18.532 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -11.750 1.442 -16.969 1.00 0.00 N ATOM 0 H ARG A 66 -8.072 -5.523 -15.866 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.692 -3.288 -14.676 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.314 -3.394 -17.077 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.010 -3.487 -16.645 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.452 -1.209 -15.361 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.144 -1.140 -16.525 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.544 -0.741 -18.282 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.751 -1.878 -17.715 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.588 0.569 -16.104 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.027 -1.011 -18.924 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.428 0.065 -18.953 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.391 1.942 -16.156 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.632 1.727 -17.395 1.00 0.00 H new ATOM 1077 N LYS A 67 -9.964 -3.458 -14.216 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.038 -3.089 -13.296 1.00 0.00 C ATOM 1079 C LYS A 67 -10.795 -3.659 -11.901 1.00 0.00 C ATOM 1080 O LYS A 67 -11.198 -3.064 -10.901 1.00 0.00 O ATOM 1081 CB LYS A 67 -12.383 -3.583 -13.830 1.00 0.00 C ATOM 1082 CG LYS A 67 -12.398 -5.066 -14.163 1.00 0.00 C ATOM 1083 CD LYS A 67 -13.559 -5.782 -13.492 1.00 0.00 C ATOM 1084 CE LYS A 67 -14.217 -6.780 -14.430 1.00 0.00 C ATOM 1085 NZ LYS A 67 -15.433 -6.216 -15.079 1.00 0.00 N ATOM 0 H LYS A 67 -10.283 -3.888 -15.084 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.055 -2.002 -13.222 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.156 -3.378 -13.089 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.640 -3.016 -14.725 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.466 -5.196 -15.243 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.459 -5.520 -13.846 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.203 -6.299 -12.601 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.297 -5.051 -13.162 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.504 -7.082 -15.197 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.486 -7.678 -13.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.852 -6.928 -15.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.125 -5.951 -14.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.173 -5.374 -15.631 1.00 0.00 H new ATOM 1099 N GLU A 68 -10.140 -4.812 -11.841 1.00 0.00 N ATOM 1100 CA GLU A 68 -9.850 -5.459 -10.566 1.00 0.00 C ATOM 1101 C GLU A 68 -8.891 -4.617 -9.731 1.00 0.00 C ATOM 1102 O GLU A 68 -9.157 -4.331 -8.563 1.00 0.00 O ATOM 1103 CB GLU A 68 -9.258 -6.850 -10.798 1.00 0.00 C ATOM 1104 CG GLU A 68 -8.936 -7.597 -9.512 1.00 0.00 C ATOM 1105 CD GLU A 68 -10.163 -8.228 -8.884 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -11.108 -8.561 -9.629 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -10.179 -8.389 -7.645 1.00 0.00 O ATOM 0 H GLU A 68 -9.800 -5.318 -12.659 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.787 -5.558 -10.018 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.960 -7.441 -11.386 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.348 -6.754 -11.390 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.199 -8.373 -9.721 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.481 -6.909 -8.800 1.00 0.00 H new ATOM 1114 N LEU A 69 -7.773 -4.226 -10.333 1.00 0.00 N ATOM 1115 CA LEU A 69 -6.774 -3.419 -9.642 1.00 0.00 C ATOM 1116 C LEU A 69 -7.288 -2.005 -9.392 1.00 0.00 C ATOM 1117 O LEU A 69 -7.144 -1.467 -8.294 1.00 0.00 O ATOM 1118 CB LEU A 69 -5.477 -3.369 -10.451 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.368 -2.507 -9.847 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -3.555 -3.310 -8.842 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.469 -1.953 -10.941 1.00 0.00 C ATOM 0 H LEU A 69 -7.536 -4.455 -11.298 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.574 -3.886 -8.678 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.102 -4.385 -10.570 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.704 -2.994 -11.449 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.829 -1.669 -9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.770 -2.680 -8.423 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.208 -3.658 -8.041 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.104 -4.168 -9.341 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.685 -1.342 -10.493 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.016 -2.777 -11.492 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.060 -1.342 -11.623 1.00 0.00 H new ATOM 1133 N GLU A 70 -7.890 -1.407 -10.416 1.00 0.00 N ATOM 1134 CA GLU A 70 -8.424 -0.055 -10.305 1.00 0.00 C ATOM 1135 C GLU A 70 -9.398 0.050 -9.135 1.00 0.00 C ATOM 1136 O GLU A 70 -9.322 0.980 -8.331 1.00 0.00 O ATOM 1137 CB GLU A 70 -9.124 0.349 -11.604 1.00 0.00 C ATOM 1138 CG GLU A 70 -8.166 0.646 -12.745 1.00 0.00 C ATOM 1139 CD GLU A 70 -7.806 2.115 -12.837 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -7.408 2.695 -11.805 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -7.924 2.687 -13.941 1.00 0.00 O ATOM 0 H GLU A 70 -8.020 -1.838 -11.331 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.591 0.624 -10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.799 -0.451 -11.907 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.738 1.230 -11.417 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.256 0.061 -12.612 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.616 0.327 -13.685 1.00 0.00 H new ATOM 1148 N GLU A 71 -10.311 -0.912 -9.045 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.298 -0.929 -7.973 1.00 0.00 C ATOM 1150 C GLU A 71 -10.680 -1.440 -6.675 1.00 0.00 C ATOM 1151 O GLU A 71 -11.033 -0.984 -5.588 1.00 0.00 O ATOM 1152 CB GLU A 71 -12.490 -1.805 -8.361 1.00 0.00 C ATOM 1153 CG GLU A 71 -13.525 -1.082 -9.208 1.00 0.00 C ATOM 1154 CD GLU A 71 -14.703 -1.966 -9.568 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -15.556 -2.206 -8.688 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -14.773 -2.418 -10.731 1.00 0.00 O ATOM 0 H GLU A 71 -10.387 -1.689 -9.701 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.643 0.093 -7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.128 -2.675 -8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.969 -2.175 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.884 -0.206 -8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.053 -0.721 -10.122 1.00 0.00 H new ATOM 1163 N ALA A 72 -9.754 -2.387 -6.797 1.00 0.00 N ATOM 1164 CA ALA A 72 -9.087 -2.958 -5.632 1.00 0.00 C ATOM 1165 C ALA A 72 -8.402 -1.875 -4.802 1.00 0.00 C ATOM 1166 O ALA A 72 -8.179 -2.048 -3.604 1.00 0.00 O ATOM 1167 CB ALA A 72 -8.078 -4.011 -6.065 1.00 0.00 C ATOM 0 H ALA A 72 -9.449 -2.774 -7.690 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.845 -3.431 -5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.588 -4.429 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.591 -4.806 -6.606 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.331 -3.554 -6.714 1.00 0.00 H new ATOM 1173 N GLY A 73 -8.069 -0.761 -5.447 1.00 0.00 N ATOM 1174 CA GLY A 73 -7.413 0.330 -4.752 1.00 0.00 C ATOM 1175 C GLY A 73 -8.396 1.327 -4.170 1.00 0.00 C ATOM 1176 O GLY A 73 -8.237 1.775 -3.035 1.00 0.00 O ATOM 0 H GLY A 73 -8.242 -0.595 -6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.794 -0.074 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.744 0.845 -5.442 1.00 0.00 H new ATOM 1180 N ALA A 74 -9.413 1.677 -4.951 1.00 0.00 N ATOM 1181 CA ALA A 74 -10.423 2.629 -4.507 1.00 0.00 C ATOM 1182 C ALA A 74 -11.719 1.922 -4.122 1.00 0.00 C ATOM 1183 O ALA A 74 -12.809 2.465 -4.298 1.00 0.00 O ATOM 1184 CB ALA A 74 -10.685 3.662 -5.592 1.00 0.00 C ATOM 0 H ALA A 74 -9.559 1.316 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.042 3.136 -3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.441 4.367 -5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.763 4.199 -5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.039 3.161 -6.493 1.00 0.00 H new ATOM 1190 N LYS A 75 -11.593 0.707 -3.598 1.00 0.00 N ATOM 1191 CA LYS A 75 -12.755 -0.072 -3.188 1.00 0.00 C ATOM 1192 C LYS A 75 -13.406 0.533 -1.950 1.00 0.00 C ATOM 1193 O LYS A 75 -12.767 1.266 -1.195 1.00 0.00 O ATOM 1194 CB LYS A 75 -12.355 -1.523 -2.910 1.00 0.00 C ATOM 1195 CG LYS A 75 -13.526 -2.419 -2.543 1.00 0.00 C ATOM 1196 CD LYS A 75 -14.545 -2.503 -3.672 1.00 0.00 C ATOM 1197 CE LYS A 75 -14.593 -3.896 -4.282 1.00 0.00 C ATOM 1198 NZ LYS A 75 -15.990 -4.350 -4.522 1.00 0.00 N ATOM 0 H LYS A 75 -10.698 0.241 -3.447 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.478 -0.053 -4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.860 -1.930 -3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.627 -1.541 -2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.160 -3.418 -2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.009 -2.037 -1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.532 -2.237 -3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.294 -1.776 -4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.044 -3.899 -5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.092 -4.600 -3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.979 -5.303 -4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.508 -4.372 -3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.461 -3.693 -5.176 1.00 0.00 H new ATOM 1212 N ILE A 76 -14.682 0.219 -1.743 1.00 0.00 N ATOM 1213 CA ILE A 76 -15.416 0.731 -0.592 1.00 0.00 C ATOM 1214 C ILE A 76 -15.500 -0.317 0.512 1.00 0.00 C ATOM 1215 O ILE A 76 -16.042 -1.404 0.311 1.00 0.00 O ATOM 1216 CB ILE A 76 -16.845 1.170 -0.975 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -17.519 0.108 -1.856 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -16.813 2.524 -1.676 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -17.279 0.288 -3.342 1.00 0.00 C ATOM 0 H ILE A 76 -15.227 -0.386 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.866 1.600 -0.231 1.00 0.00 H new ATOM 0 HB ILE A 76 -17.435 1.272 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -17.159 -0.877 -1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -18.593 0.125 -1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -17.828 2.821 -1.940 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -16.379 3.269 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -16.209 2.451 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -17.789 -0.503 -3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -17.665 1.257 -3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -16.209 0.240 -3.546 1.00 0.00 H new ATOM 1231 N ASN A 77 -14.959 0.017 1.679 1.00 0.00 N ATOM 1232 CA ASN A 77 -14.972 -0.895 2.818 1.00 0.00 C ATOM 1233 C ASN A 77 -14.182 -2.164 2.508 1.00 0.00 C ATOM 1234 O ASN A 77 -14.521 -2.909 1.589 1.00 0.00 O ATOM 1235 CB ASN A 77 -16.412 -1.254 3.193 1.00 0.00 C ATOM 1236 CG ASN A 77 -16.950 -0.387 4.314 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -17.671 0.583 4.074 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -16.599 -0.730 5.548 1.00 0.00 N ATOM 0 H ASN A 77 -14.506 0.913 1.861 1.00 0.00 H new ATOM 0 HA ASN A 77 -14.499 -0.392 3.661 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -17.050 -1.147 2.316 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -16.456 -2.301 3.494 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -16.928 -0.182 6.343 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -16.000 -1.541 5.701 1.00 0.00 H new ATOM 1245 N HIS A 78 -13.126 -2.401 3.280 1.00 0.00 N ATOM 1246 CA HIS A 78 -12.288 -3.579 3.088 1.00 0.00 C ATOM 1247 C HIS A 78 -12.808 -4.760 3.901 1.00 0.00 C ATOM 1248 O HIS A 78 -13.728 -4.615 4.707 1.00 0.00 O ATOM 1249 CB HIS A 78 -10.842 -3.272 3.484 1.00 0.00 C ATOM 1250 CG HIS A 78 -10.207 -2.204 2.647 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -10.096 -0.893 3.058 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -9.644 -2.259 1.417 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -9.495 -0.188 2.117 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -9.210 -0.993 1.111 1.00 0.00 N ATOM 0 H HIS A 78 -12.831 -1.793 4.044 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.322 -3.847 2.032 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -10.817 -2.966 4.530 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -10.251 -4.184 3.405 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.553 -3.136 0.793 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -9.274 0.868 2.163 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -8.743 -0.719 0.246 1.00 0.00 H new ATOM 1263 N THR A 79 -12.215 -5.929 3.682 1.00 0.00 N ATOM 1264 CA THR A 79 -12.616 -7.138 4.394 1.00 0.00 C ATOM 1265 C THR A 79 -11.548 -7.548 5.407 1.00 0.00 C ATOM 1266 O THR A 79 -10.703 -6.740 5.790 1.00 0.00 O ATOM 1267 CB THR A 79 -12.867 -8.274 3.399 1.00 0.00 C ATOM 1268 OG1 THR A 79 -13.372 -9.419 4.062 1.00 0.00 O ATOM 1269 CG2 THR A 79 -11.625 -8.691 2.641 1.00 0.00 C ATOM 0 H THR A 79 -11.454 -6.065 3.016 1.00 0.00 H new ATOM 0 HA THR A 79 -13.539 -6.931 4.935 1.00 0.00 H new ATOM 0 HB THR A 79 -13.592 -7.879 2.687 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.796 -10.188 3.871 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.873 -9.500 1.953 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.240 -7.841 2.078 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.867 -9.033 3.345 1.00 0.00 H new ATOM 1277 N THR A 80 -11.591 -8.807 5.840 1.00 0.00 N ATOM 1278 CA THR A 80 -10.624 -9.314 6.807 1.00 0.00 C ATOM 1279 C THR A 80 -9.419 -9.935 6.105 1.00 0.00 C ATOM 1280 O THR A 80 -8.962 -11.017 6.474 1.00 0.00 O ATOM 1281 CB THR A 80 -11.282 -10.346 7.726 1.00 0.00 C ATOM 1282 OG1 THR A 80 -10.319 -10.961 8.561 1.00 0.00 O ATOM 1283 CG2 THR A 80 -12.003 -11.444 6.973 1.00 0.00 C ATOM 0 H THR A 80 -12.284 -9.491 5.536 1.00 0.00 H new ATOM 0 HA THR A 80 -10.276 -8.473 7.406 1.00 0.00 H new ATOM 0 HB THR A 80 -12.012 -9.787 8.311 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.673 -11.450 8.010 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.447 -12.142 7.683 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.788 -11.007 6.355 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.294 -11.975 6.337 1.00 0.00 H new ATOM 1291 N LEU A 81 -8.908 -9.243 5.091 1.00 0.00 N ATOM 1292 CA LEU A 81 -7.755 -9.726 4.337 1.00 0.00 C ATOM 1293 C LEU A 81 -8.010 -11.121 3.770 1.00 0.00 C ATOM 1294 O LEU A 81 -7.072 -11.863 3.480 1.00 0.00 O ATOM 1295 CB LEU A 81 -6.512 -9.746 5.230 1.00 0.00 C ATOM 1296 CG LEU A 81 -5.177 -9.820 4.482 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -4.211 -8.766 5.003 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -4.569 -11.210 4.609 1.00 0.00 C ATOM 0 H LEU A 81 -9.274 -8.346 4.772 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.589 -9.044 3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.514 -8.850 5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.581 -10.600 5.904 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.365 -9.621 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.269 -8.835 4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.641 -7.775 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.030 -8.932 6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.621 -11.243 4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.397 -11.437 5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.252 -11.946 4.186 1.00 0.00 H new ATOM 1310 N LYS A 82 -9.283 -11.471 3.611 1.00 0.00 N ATOM 1311 CA LYS A 82 -9.652 -12.777 3.076 1.00 0.00 C ATOM 1312 C LYS A 82 -9.534 -12.793 1.557 1.00 0.00 C ATOM 1313 O LYS A 82 -8.920 -13.691 0.981 1.00 0.00 O ATOM 1314 CB LYS A 82 -11.077 -13.142 3.494 1.00 0.00 C ATOM 1315 CG LYS A 82 -11.493 -14.544 3.078 1.00 0.00 C ATOM 1316 CD LYS A 82 -11.188 -15.561 4.166 1.00 0.00 C ATOM 1317 CE LYS A 82 -12.271 -16.625 4.254 1.00 0.00 C ATOM 1318 NZ LYS A 82 -12.616 -17.178 2.915 1.00 0.00 N ATOM 0 H LYS A 82 -10.074 -10.871 3.844 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.963 -13.517 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.163 -13.053 4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.770 -12.422 3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.560 -14.557 2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.972 -14.822 2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.227 -16.034 3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.097 -15.052 5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.935 -17.432 4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.163 -16.198 4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.036 -18.123 3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.298 -16.549 2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.755 -17.249 2.336 1.00 0.00 H new ATOM 1332 N ILE A 83 -10.123 -11.791 0.911 1.00 0.00 N ATOM 1333 CA ILE A 83 -10.077 -11.692 -0.542 1.00 0.00 C ATOM 1334 C ILE A 83 -8.638 -11.669 -1.039 1.00 0.00 C ATOM 1335 O ILE A 83 -8.339 -12.155 -2.129 1.00 0.00 O ATOM 1336 CB ILE A 83 -10.808 -10.432 -1.046 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -10.204 -9.177 -0.413 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -12.296 -10.525 -0.742 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -9.168 -8.500 -1.284 1.00 0.00 C ATOM 0 H ILE A 83 -10.636 -11.039 1.370 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.583 -12.573 -0.938 1.00 0.00 H new ATOM 0 HB ILE A 83 -10.683 -10.365 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -11.003 -8.469 -0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -9.747 -9.444 0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.798 -9.628 -1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.715 -11.400 -1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.443 -10.613 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.783 -7.618 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.349 -9.192 -1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.625 -8.201 -2.228 1.00 0.00 H new ATOM 1351 N LEU A 84 -7.747 -11.110 -0.226 1.00 0.00 N ATOM 1352 CA LEU A 84 -6.337 -11.038 -0.580 1.00 0.00 C ATOM 1353 C LEU A 84 -5.710 -12.424 -0.524 1.00 0.00 C ATOM 1354 O LEU A 84 -4.946 -12.809 -1.410 1.00 0.00 O ATOM 1355 CB LEU A 84 -5.597 -10.089 0.365 1.00 0.00 C ATOM 1356 CG LEU A 84 -5.828 -8.599 0.100 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -6.974 -8.077 0.953 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -4.557 -7.806 0.366 1.00 0.00 C ATOM 0 H LEU A 84 -7.977 -10.702 0.680 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.254 -10.653 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.899 -10.311 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.528 -10.293 0.297 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.097 -8.473 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.124 -7.016 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.885 -8.624 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.735 -8.216 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.740 -6.749 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.257 -7.938 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.762 -8.162 -0.289 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.047 -13.175 0.519 1.00 0.00 N ATOM 1371 CA GLU A 85 -5.525 -14.524 0.687 1.00 0.00 C ATOM 1372 C GLU A 85 -6.143 -15.471 -0.339 1.00 0.00 C ATOM 1373 O GLU A 85 -5.554 -16.496 -0.684 1.00 0.00 O ATOM 1374 CB GLU A 85 -5.804 -15.030 2.104 1.00 0.00 C ATOM 1375 CG GLU A 85 -4.622 -14.875 3.047 1.00 0.00 C ATOM 1376 CD GLU A 85 -3.391 -15.615 2.564 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -2.639 -15.045 1.745 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -3.178 -16.764 3.003 1.00 0.00 O ATOM 0 H GLU A 85 -6.679 -12.872 1.260 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.447 -14.496 0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.658 -14.490 2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.085 -16.082 2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.386 -13.817 3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.899 -15.244 4.035 1.00 0.00 H new ATOM 1385 N GLY A 86 -7.331 -15.122 -0.825 1.00 0.00 N ATOM 1386 CA GLY A 86 -8.004 -15.952 -1.806 1.00 0.00 C ATOM 1387 C GLY A 86 -7.768 -15.482 -3.228 1.00 0.00 C ATOM 1388 O GLY A 86 -7.912 -16.256 -4.175 1.00 0.00 O ATOM 0 H GLY A 86 -7.839 -14.279 -0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.658 -16.981 -1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.075 -15.955 -1.601 1.00 0.00 H new ATOM 1392 N HIS A 87 -7.407 -14.210 -3.383 1.00 0.00 N ATOM 1393 CA HIS A 87 -7.155 -13.644 -4.704 1.00 0.00 C ATOM 1394 C HIS A 87 -5.699 -13.206 -4.850 1.00 0.00 C ATOM 1395 O HIS A 87 -5.373 -12.389 -5.712 1.00 0.00 O ATOM 1396 CB HIS A 87 -8.085 -12.455 -4.955 1.00 0.00 C ATOM 1397 CG HIS A 87 -8.645 -12.417 -6.344 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -9.879 -12.935 -6.672 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -8.130 -11.917 -7.492 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -10.101 -12.757 -7.962 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -9.055 -12.141 -8.482 1.00 0.00 N ATOM 0 H HIS A 87 -7.283 -13.554 -2.612 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.353 -14.419 -5.444 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -8.908 -12.490 -4.241 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.539 -11.531 -4.767 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.172 -11.433 -7.607 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.986 -13.063 -8.499 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -8.951 -11.875 -9.461 1.00 0.00 H new ATOM 1410 N LEU A 88 -4.825 -13.753 -4.009 1.00 0.00 N ATOM 1411 CA LEU A 88 -3.407 -13.415 -4.056 1.00 0.00 C ATOM 1412 C LEU A 88 -2.563 -14.518 -3.426 1.00 0.00 C ATOM 1413 O LEU A 88 -2.495 -14.571 -2.180 1.00 0.00 O ATOM 1414 CB LEU A 88 -3.154 -12.088 -3.336 1.00 0.00 C ATOM 1415 CG LEU A 88 -1.987 -11.267 -3.885 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -2.430 -10.449 -5.089 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -1.420 -10.362 -2.801 1.00 0.00 C ATOM 1418 OXT LEU A 88 -1.978 -15.319 -4.183 1.00 0.00 O ATOM 0 H LEU A 88 -5.074 -14.431 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.117 -13.314 -5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.060 -11.484 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.970 -12.293 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.203 -11.952 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.586 -9.871 -5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.790 -11.118 -5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.231 -9.771 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.590 -9.784 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.197 -9.683 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.066 -10.970 -1.968 1.00 0.00 H new TER 1430 LEU A 88