USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl -123:sc= 0 (180deg=-0.119) USER MOD Single : A 3 ASN : amide:sc= -0.053 K(o=-0.053,f=-2.5!) USER MOD Single : A 4 LYS NZ :NH3+ 151:sc= -0.085 (180deg=-1.09) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.0032) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ -126:sc= 0.0352 (180deg=0) USER MOD Single : A 11 SER OG : rot -140:sc= 0.0154 USER MOD Single : A 15 THR OG1 : rot -53:sc= 0.369 USER MOD Single : A 21 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.37) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.326 X(o=-0.33,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 30:sc= -0.289 USER MOD Single : A 45 TYR OH : rot 150:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.4!) USER MOD Single : A 57 THR OG1 : rot 90:sc= 0.328 USER MOD Single : A 59 SER OG : rot 180:sc= 0.226 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.045) USER MOD Single : A 69 MET CE :methyl -139:sc= -2.16 (180deg=-6.55!) USER MOD Single : A 73 TYR OH : rot -70:sc= -0.737 USER MOD Single : A 74 SER OG : rot 61:sc= 0.978 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 35:sc= 0.323 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 24.191 3.085 -10.123 1.00 0.00 N ATOM 2 CA GLY A -5 23.813 2.818 -8.748 1.00 0.00 C ATOM 3 C GLY A -5 22.629 3.652 -8.300 1.00 0.00 C ATOM 4 O GLY A -5 21.806 4.063 -9.117 1.00 0.00 O ATOM 0 H1 GLY A -5 24.212 2.193 -10.657 1.00 0.00 H new ATOM 0 H2 GLY A -5 23.499 3.730 -10.554 1.00 0.00 H new ATOM 0 H3 GLY A -5 25.134 3.524 -10.145 1.00 0.00 H new ATOM 0 HA2 GLY A -5 23.571 1.761 -8.640 1.00 0.00 H new ATOM 0 HA3 GLY A -5 24.663 3.019 -8.095 1.00 0.00 H new ATOM 8 N SER A -4 22.541 3.901 -6.997 1.00 0.00 N ATOM 9 CA SER A -4 21.446 4.686 -6.441 1.00 0.00 C ATOM 10 C SER A -4 21.843 6.153 -6.306 1.00 0.00 C ATOM 11 O SER A -4 22.435 6.558 -5.306 1.00 0.00 O ATOM 12 CB SER A -4 21.033 4.130 -5.077 1.00 0.00 C ATOM 13 OG SER A -4 20.334 2.906 -5.216 1.00 0.00 O ATOM 0 H SER A -4 23.215 3.570 -6.307 1.00 0.00 H new ATOM 0 HA SER A -4 20.600 4.618 -7.124 1.00 0.00 H new ATOM 0 HB2 SER A -4 21.918 3.979 -4.459 1.00 0.00 H new ATOM 0 HB3 SER A -4 20.404 4.855 -4.561 1.00 0.00 H new ATOM 0 HG SER A -4 20.083 2.570 -4.330 1.00 0.00 H new ATOM 19 N SER A -3 21.511 6.945 -7.321 1.00 0.00 N ATOM 20 CA SER A -3 21.835 8.367 -7.319 1.00 0.00 C ATOM 21 C SER A -3 20.586 9.209 -7.561 1.00 0.00 C ATOM 22 O SER A -3 19.653 8.777 -8.236 1.00 0.00 O ATOM 23 CB SER A -3 22.887 8.673 -8.387 1.00 0.00 C ATOM 24 OG SER A -3 23.562 9.887 -8.105 1.00 0.00 O ATOM 0 H SER A -3 21.018 6.626 -8.155 1.00 0.00 H new ATOM 0 HA SER A -3 22.238 8.622 -6.339 1.00 0.00 H new ATOM 0 HB2 SER A -3 23.607 7.856 -8.437 1.00 0.00 H new ATOM 0 HB3 SER A -3 22.409 8.737 -9.365 1.00 0.00 H new ATOM 0 HG SER A -3 24.230 10.059 -8.801 1.00 0.00 H new ATOM 30 N GLY A -2 20.578 10.417 -7.004 1.00 0.00 N ATOM 31 CA GLY A -2 19.441 11.302 -7.171 1.00 0.00 C ATOM 32 C GLY A -2 18.184 10.760 -6.517 1.00 0.00 C ATOM 33 O GLY A -2 18.200 10.380 -5.347 1.00 0.00 O ATOM 0 H GLY A -2 21.338 10.797 -6.441 1.00 0.00 H new ATOM 0 HA2 GLY A -2 19.677 12.277 -6.745 1.00 0.00 H new ATOM 0 HA3 GLY A -2 19.257 11.455 -8.234 1.00 0.00 H new ATOM 37 N SER A -1 17.092 10.728 -7.273 1.00 0.00 N ATOM 38 CA SER A -1 15.820 10.235 -6.759 1.00 0.00 C ATOM 39 C SER A -1 16.008 8.912 -6.022 1.00 0.00 C ATOM 40 O SER A -1 16.536 7.949 -6.577 1.00 0.00 O ATOM 41 CB SER A -1 14.818 10.056 -7.901 1.00 0.00 C ATOM 42 OG SER A -1 14.441 11.308 -8.449 1.00 0.00 O ATOM 0 H SER A -1 17.062 11.038 -8.244 1.00 0.00 H new ATOM 0 HA SER A -1 15.431 10.972 -6.056 1.00 0.00 H new ATOM 0 HB2 SER A -1 15.257 9.432 -8.680 1.00 0.00 H new ATOM 0 HB3 SER A -1 13.934 9.534 -7.535 1.00 0.00 H new ATOM 0 HG SER A -1 13.802 11.167 -9.178 1.00 0.00 H new ATOM 48 N SER A 0 15.572 8.874 -4.767 1.00 0.00 N ATOM 49 CA SER A 0 15.696 7.671 -3.951 1.00 0.00 C ATOM 50 C SER A 0 15.009 7.857 -2.602 1.00 0.00 C ATOM 51 O SER A 0 14.569 8.956 -2.262 1.00 0.00 O ATOM 52 CB SER A 0 17.170 7.321 -3.742 1.00 0.00 C ATOM 53 OG SER A 0 17.770 8.187 -2.793 1.00 0.00 O ATOM 0 H SER A 0 15.130 9.662 -4.293 1.00 0.00 H new ATOM 0 HA SER A 0 15.207 6.852 -4.478 1.00 0.00 H new ATOM 0 HB2 SER A 0 17.257 6.289 -3.403 1.00 0.00 H new ATOM 0 HB3 SER A 0 17.702 7.391 -4.691 1.00 0.00 H new ATOM 0 HG SER A 0 18.712 7.942 -2.676 1.00 0.00 H new ATOM 59 N GLY A 1 14.920 6.775 -1.835 1.00 0.00 N ATOM 60 CA GLY A 1 14.285 6.839 -0.532 1.00 0.00 C ATOM 61 C GLY A 1 13.290 5.716 -0.315 1.00 0.00 C ATOM 62 O GLY A 1 12.906 5.029 -1.261 1.00 0.00 O ATOM 0 H GLY A 1 15.277 5.855 -2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.050 6.797 0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.776 7.797 -0.426 1.00 0.00 H new ATOM 66 N MET A 2 12.873 5.529 0.932 1.00 0.00 N ATOM 67 CA MET A 2 11.916 4.481 1.269 1.00 0.00 C ATOM 68 C MET A 2 10.782 4.433 0.250 1.00 0.00 C ATOM 69 O MET A 2 10.430 5.448 -0.349 1.00 0.00 O ATOM 70 CB MET A 2 11.348 4.710 2.671 1.00 0.00 C ATOM 71 CG MET A 2 10.580 6.014 2.810 1.00 0.00 C ATOM 72 SD MET A 2 10.465 6.575 4.519 1.00 0.00 S ATOM 73 CE MET A 2 9.125 7.758 4.400 1.00 0.00 C ATOM 0 H MET A 2 13.182 6.089 1.726 1.00 0.00 H new ATOM 0 HA MET A 2 12.440 3.525 1.249 1.00 0.00 H new ATOM 0 HB2 MET A 2 10.689 3.881 2.927 1.00 0.00 H new ATOM 0 HB3 MET A 2 12.166 4.701 3.391 1.00 0.00 H new ATOM 0 HG2 MET A 2 11.067 6.784 2.211 1.00 0.00 H new ATOM 0 HG3 MET A 2 9.576 5.884 2.406 1.00 0.00 H new ATOM 0 HE1 MET A 2 9.465 8.730 4.756 1.00 0.00 H new ATOM 0 HE2 MET A 2 8.806 7.843 3.361 1.00 0.00 H new ATOM 0 HE3 MET A 2 8.287 7.421 5.010 1.00 0.00 H new ATOM 83 N ASN A 3 10.214 3.246 0.059 1.00 0.00 N ATOM 84 CA ASN A 3 9.121 3.067 -0.889 1.00 0.00 C ATOM 85 C ASN A 3 7.777 3.022 -0.167 1.00 0.00 C ATOM 86 O ASN A 3 7.704 3.217 1.047 1.00 0.00 O ATOM 87 CB ASN A 3 9.322 1.781 -1.693 1.00 0.00 C ATOM 88 CG ASN A 3 10.474 1.887 -2.674 1.00 0.00 C ATOM 89 OD1 ASN A 3 11.455 2.587 -2.422 1.00 0.00 O ATOM 90 ND2 ASN A 3 10.359 1.192 -3.799 1.00 0.00 N ATOM 0 H ASN A 3 10.493 2.395 0.548 1.00 0.00 H new ATOM 0 HA ASN A 3 9.120 3.918 -1.570 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.506 0.953 -1.009 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.406 1.548 -2.236 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.102 1.225 -4.497 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.528 0.625 -3.965 1.00 0.00 H new ATOM 97 N LYS A 4 6.714 2.763 -0.921 1.00 0.00 N ATOM 98 CA LYS A 4 5.373 2.690 -0.355 1.00 0.00 C ATOM 99 C LYS A 4 4.587 1.534 -0.964 1.00 0.00 C ATOM 100 O LYS A 4 4.987 0.965 -1.980 1.00 0.00 O ATOM 101 CB LYS A 4 4.628 4.007 -0.586 1.00 0.00 C ATOM 102 CG LYS A 4 5.185 5.171 0.215 1.00 0.00 C ATOM 103 CD LYS A 4 4.170 6.294 0.349 1.00 0.00 C ATOM 104 CE LYS A 4 4.285 7.288 -0.797 1.00 0.00 C ATOM 105 NZ LYS A 4 3.587 8.568 -0.494 1.00 0.00 N ATOM 0 H LYS A 4 6.756 2.600 -1.927 1.00 0.00 H new ATOM 0 HA LYS A 4 5.467 2.516 0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.667 4.255 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.578 3.870 -0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.478 4.824 1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.085 5.549 -0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.164 5.876 0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.320 6.811 1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.337 7.488 -1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.863 6.850 -1.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.055 9.347 -0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.595 8.503 -0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.622 8.749 0.530 1.00 0.00 H new ATOM 119 N LEU A 5 3.464 1.194 -0.340 1.00 0.00 N ATOM 120 CA LEU A 5 2.620 0.106 -0.823 1.00 0.00 C ATOM 121 C LEU A 5 1.310 0.645 -1.389 1.00 0.00 C ATOM 122 O LEU A 5 0.672 1.511 -0.789 1.00 0.00 O ATOM 123 CB LEU A 5 2.332 -0.882 0.308 1.00 0.00 C ATOM 124 CG LEU A 5 3.507 -1.210 1.228 1.00 0.00 C ATOM 125 CD1 LEU A 5 3.051 -2.077 2.392 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.617 -1.902 0.450 1.00 0.00 C ATOM 0 H LEU A 5 3.117 1.656 0.501 1.00 0.00 H new ATOM 0 HA LEU A 5 3.154 -0.410 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.521 -0.481 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.970 -1.811 -0.132 1.00 0.00 H new ATOM 0 HG LEU A 5 3.899 -0.275 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.902 -2.299 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.292 -1.546 2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.632 -3.008 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.445 -2.128 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.236 -2.828 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.965 -1.246 -0.348 1.00 0.00 H new ATOM 138 N TYR A 6 0.913 0.125 -2.545 1.00 0.00 N ATOM 139 CA TYR A 6 -0.321 0.552 -3.193 1.00 0.00 C ATOM 140 C TYR A 6 -1.483 -0.360 -2.809 1.00 0.00 C ATOM 141 O TYR A 6 -1.387 -1.583 -2.915 1.00 0.00 O ATOM 142 CB TYR A 6 -0.147 0.565 -4.712 1.00 0.00 C ATOM 143 CG TYR A 6 -1.434 0.328 -5.471 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.468 1.253 -5.430 1.00 0.00 C ATOM 145 CD2 TYR A 6 -1.614 -0.823 -6.229 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.645 1.041 -6.121 1.00 0.00 C ATOM 147 CE2 TYR A 6 -2.787 -1.044 -6.924 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.800 -0.109 -6.867 1.00 0.00 C ATOM 149 OH TYR A 6 -4.970 -0.324 -7.557 1.00 0.00 O ATOM 0 H TYR A 6 1.429 -0.594 -3.053 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.549 1.562 -2.852 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.271 1.526 -5.013 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.577 -0.200 -4.993 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.350 2.155 -4.847 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -0.823 -1.557 -6.275 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.439 1.771 -6.078 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.911 -1.944 -7.509 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.917 -1.179 -8.032 1.00 0.00 H new ATOM 159 N ILE A 7 -2.579 0.245 -2.363 1.00 0.00 N ATOM 160 CA ILE A 7 -3.759 -0.511 -1.966 1.00 0.00 C ATOM 161 C ILE A 7 -4.919 -0.266 -2.925 1.00 0.00 C ATOM 162 O ILE A 7 -5.355 0.868 -3.110 1.00 0.00 O ATOM 163 CB ILE A 7 -4.205 -0.149 -0.537 1.00 0.00 C ATOM 164 CG1 ILE A 7 -2.997 -0.102 0.401 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.235 -1.151 -0.033 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.332 0.387 1.793 1.00 0.00 C ATOM 0 H ILE A 7 -2.674 1.256 -2.268 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.482 -1.565 -1.996 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.666 0.838 -0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.562 -1.099 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.237 0.549 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.540 -0.882 0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.105 -1.140 -0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.798 -2.150 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.429 0.394 2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.740 1.396 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.069 -0.277 2.244 1.00 0.00 H new ATOM 178 N GLY A 8 -5.414 -1.340 -3.535 1.00 0.00 N ATOM 179 CA GLY A 8 -6.519 -1.220 -4.466 1.00 0.00 C ATOM 180 C GLY A 8 -7.767 -1.932 -3.981 1.00 0.00 C ATOM 181 O GLY A 8 -7.710 -2.729 -3.046 1.00 0.00 O ATOM 0 H GLY A 8 -5.069 -2.290 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.744 -0.165 -4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.223 -1.630 -5.431 1.00 0.00 H new ATOM 185 N ASN A 9 -8.897 -1.642 -4.617 1.00 0.00 N ATOM 186 CA ASN A 9 -10.165 -2.258 -4.243 1.00 0.00 C ATOM 187 C ASN A 9 -10.661 -1.715 -2.906 1.00 0.00 C ATOM 188 O ASN A 9 -11.163 -2.464 -2.067 1.00 0.00 O ATOM 189 CB ASN A 9 -10.012 -3.779 -4.163 1.00 0.00 C ATOM 190 CG ASN A 9 -11.315 -4.506 -4.434 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.621 -4.851 -5.576 1.00 0.00 O ATOM 192 ND2 ASN A 9 -12.091 -4.741 -3.382 1.00 0.00 N ATOM 0 H ASN A 9 -8.961 -0.984 -5.394 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.900 -2.012 -5.010 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.261 -4.104 -4.883 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.645 -4.053 -3.174 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.981 -5.225 -3.502 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.797 -4.437 -2.454 1.00 0.00 H new ATOM 199 N LEU A 10 -10.516 -0.409 -2.715 1.00 0.00 N ATOM 200 CA LEU A 10 -10.949 0.237 -1.480 1.00 0.00 C ATOM 201 C LEU A 10 -12.288 0.940 -1.675 1.00 0.00 C ATOM 202 O LEU A 10 -12.454 1.737 -2.600 1.00 0.00 O ATOM 203 CB LEU A 10 -9.896 1.240 -1.009 1.00 0.00 C ATOM 204 CG LEU A 10 -8.598 0.644 -0.463 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.627 1.747 -0.072 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.885 -0.262 0.725 1.00 0.00 C ATOM 0 H LEU A 10 -10.102 0.224 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.072 -0.534 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.648 1.895 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.340 1.865 -0.234 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.138 0.045 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.709 1.304 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.396 2.355 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.079 2.374 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.950 -0.677 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.369 0.314 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.543 -1.073 0.413 1.00 0.00 H new ATOM 218 N SER A 11 -13.241 0.644 -0.796 1.00 0.00 N ATOM 219 CA SER A 11 -14.565 1.248 -0.873 1.00 0.00 C ATOM 220 C SER A 11 -14.486 2.760 -0.683 1.00 0.00 C ATOM 221 O SER A 11 -13.633 3.276 0.040 1.00 0.00 O ATOM 222 CB SER A 11 -15.489 0.638 0.184 1.00 0.00 C ATOM 223 OG SER A 11 -15.196 -0.734 0.386 1.00 0.00 O ATOM 0 H SER A 11 -13.120 -0.010 -0.023 1.00 0.00 H new ATOM 0 HA SER A 11 -14.972 1.045 -1.864 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.379 1.179 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.527 0.749 -0.128 1.00 0.00 H new ATOM 0 HG SER A 11 -16.032 -1.234 0.495 1.00 0.00 H new ATOM 229 N PRO A 12 -15.395 3.488 -1.347 1.00 0.00 N ATOM 230 CA PRO A 12 -15.450 4.951 -1.268 1.00 0.00 C ATOM 231 C PRO A 12 -15.913 5.440 0.100 1.00 0.00 C ATOM 232 O PRO A 12 -15.923 6.641 0.369 1.00 0.00 O ATOM 233 CB PRO A 12 -16.471 5.326 -2.344 1.00 0.00 C ATOM 234 CG PRO A 12 -17.335 4.121 -2.485 1.00 0.00 C ATOM 235 CD PRO A 12 -16.441 2.939 -2.226 1.00 0.00 C ATOM 0 HA PRO A 12 -14.470 5.405 -1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.054 6.198 -2.049 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.981 5.574 -3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.162 4.148 -1.775 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.772 4.069 -3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -16.982 2.124 -1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.021 2.542 -3.151 1.00 0.00 H new ATOM 243 N ALA A 13 -16.296 4.502 0.961 1.00 0.00 N ATOM 244 CA ALA A 13 -16.758 4.838 2.302 1.00 0.00 C ATOM 245 C ALA A 13 -15.617 4.762 3.310 1.00 0.00 C ATOM 246 O ALA A 13 -15.679 5.367 4.380 1.00 0.00 O ATOM 247 CB ALA A 13 -17.894 3.915 2.716 1.00 0.00 C ATOM 0 H ALA A 13 -16.295 3.503 0.753 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.126 5.864 2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.229 4.178 3.719 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.723 4.023 2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.545 2.882 2.709 1.00 0.00 H new ATOM 253 N VAL A 14 -14.574 4.014 2.963 1.00 0.00 N ATOM 254 CA VAL A 14 -13.418 3.859 3.838 1.00 0.00 C ATOM 255 C VAL A 14 -12.745 5.201 4.102 1.00 0.00 C ATOM 256 O VAL A 14 -12.662 6.053 3.215 1.00 0.00 O ATOM 257 CB VAL A 14 -12.384 2.889 3.237 1.00 0.00 C ATOM 258 CG1 VAL A 14 -11.251 2.639 4.219 1.00 0.00 C ATOM 259 CG2 VAL A 14 -13.052 1.581 2.837 1.00 0.00 C ATOM 0 H VAL A 14 -14.506 3.506 2.081 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.786 3.449 4.778 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.962 3.345 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.531 1.951 3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.756 3.582 4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.652 2.204 5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.307 0.907 2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.503 1.119 3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.825 1.779 2.095 1.00 0.00 H new ATOM 269 N THR A 15 -12.263 5.385 5.327 1.00 0.00 N ATOM 270 CA THR A 15 -11.597 6.623 5.709 1.00 0.00 C ATOM 271 C THR A 15 -10.197 6.352 6.247 1.00 0.00 C ATOM 272 O THR A 15 -9.860 5.217 6.581 1.00 0.00 O ATOM 273 CB THR A 15 -12.404 7.391 6.774 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.696 6.531 7.881 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.701 7.928 6.186 1.00 0.00 C ATOM 0 H THR A 15 -12.322 4.691 6.072 1.00 0.00 H new ATOM 0 HA THR A 15 -11.525 7.233 4.808 1.00 0.00 H new ATOM 0 HB THR A 15 -11.803 8.233 7.117 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.126 5.713 7.555 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.254 8.466 6.956 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.474 8.604 5.362 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.305 7.098 5.819 1.00 0.00 H new ATOM 283 N ALA A 16 -9.386 7.401 6.330 1.00 0.00 N ATOM 284 CA ALA A 16 -8.023 7.276 6.831 1.00 0.00 C ATOM 285 C ALA A 16 -8.005 6.656 8.224 1.00 0.00 C ATOM 286 O ALA A 16 -7.158 5.815 8.528 1.00 0.00 O ATOM 287 CB ALA A 16 -7.338 8.635 6.847 1.00 0.00 C ATOM 0 H ALA A 16 -9.649 8.348 6.057 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.476 6.614 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.321 8.525 7.224 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.309 9.040 5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.893 9.315 7.494 1.00 0.00 H new ATOM 293 N ASP A 17 -8.942 7.076 9.065 1.00 0.00 N ATOM 294 CA ASP A 17 -9.035 6.561 10.426 1.00 0.00 C ATOM 295 C ASP A 17 -9.234 5.049 10.423 1.00 0.00 C ATOM 296 O ASP A 17 -8.650 4.334 11.239 1.00 0.00 O ATOM 297 CB ASP A 17 -10.185 7.238 11.174 1.00 0.00 C ATOM 298 CG ASP A 17 -10.254 6.821 12.629 1.00 0.00 C ATOM 299 OD1 ASP A 17 -10.669 5.673 12.897 1.00 0.00 O ATOM 300 OD2 ASP A 17 -9.897 7.640 13.501 1.00 0.00 O ATOM 0 H ASP A 17 -9.649 7.772 8.829 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.098 6.785 10.937 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.066 8.320 11.114 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.127 6.993 10.684 1.00 0.00 H new ATOM 305 N ASP A 18 -10.061 4.569 9.502 1.00 0.00 N ATOM 306 CA ASP A 18 -10.338 3.141 9.393 1.00 0.00 C ATOM 307 C ASP A 18 -9.091 2.377 8.959 1.00 0.00 C ATOM 308 O ASP A 18 -8.795 1.300 9.479 1.00 0.00 O ATOM 309 CB ASP A 18 -11.473 2.894 8.398 1.00 0.00 C ATOM 310 CG ASP A 18 -12.769 3.557 8.823 1.00 0.00 C ATOM 311 OD1 ASP A 18 -12.952 3.779 10.038 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.598 3.857 7.939 1.00 0.00 O ATOM 0 H ASP A 18 -10.552 5.147 8.820 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.641 2.779 10.376 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.181 3.269 7.417 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.634 1.821 8.294 1.00 0.00 H new ATOM 317 N LEU A 19 -8.361 2.940 8.002 1.00 0.00 N ATOM 318 CA LEU A 19 -7.145 2.313 7.496 1.00 0.00 C ATOM 319 C LEU A 19 -6.110 2.159 8.606 1.00 0.00 C ATOM 320 O LEU A 19 -5.523 1.091 8.777 1.00 0.00 O ATOM 321 CB LEU A 19 -6.560 3.138 6.349 1.00 0.00 C ATOM 322 CG LEU A 19 -7.000 2.735 4.940 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.350 3.635 3.901 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.662 1.277 4.673 1.00 0.00 C ATOM 0 H LEU A 19 -8.591 3.830 7.561 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.405 1.321 7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.827 4.183 6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.473 3.075 6.400 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.081 2.855 4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.674 3.334 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.643 4.669 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.266 3.548 3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.982 1.008 3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.586 1.131 4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.176 0.646 5.398 1.00 0.00 H new ATOM 336 N ARG A 20 -5.893 3.232 9.359 1.00 0.00 N ATOM 337 CA ARG A 20 -4.930 3.216 10.453 1.00 0.00 C ATOM 338 C ARG A 20 -5.332 2.198 11.516 1.00 0.00 C ATOM 339 O ARG A 20 -4.492 1.455 12.024 1.00 0.00 O ATOM 340 CB ARG A 20 -4.816 4.607 11.082 1.00 0.00 C ATOM 341 CG ARG A 20 -4.087 5.613 10.207 1.00 0.00 C ATOM 342 CD ARG A 20 -4.590 7.028 10.448 1.00 0.00 C ATOM 343 NE ARG A 20 -3.592 8.031 10.087 1.00 0.00 N ATOM 344 CZ ARG A 20 -3.822 9.340 10.114 1.00 0.00 C ATOM 345 NH1 ARG A 20 -5.010 9.800 10.484 1.00 0.00 N ATOM 346 NH2 ARG A 20 -2.863 10.191 9.772 1.00 0.00 N ATOM 0 H ARG A 20 -6.371 4.124 9.231 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.961 2.928 10.046 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.817 4.983 11.297 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.295 4.524 12.036 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.017 5.566 10.411 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.224 5.351 9.158 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.498 7.194 9.868 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.857 7.144 11.498 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.668 7.710 9.798 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.749 9.149 10.749 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.184 10.805 10.504 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.948 9.841 9.488 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.041 11.195 9.793 1.00 0.00 H new ATOM 360 N GLN A 21 -6.618 2.171 11.847 1.00 0.00 N ATOM 361 CA GLN A 21 -7.130 1.244 12.850 1.00 0.00 C ATOM 362 C GLN A 21 -7.068 -0.193 12.345 1.00 0.00 C ATOM 363 O GLN A 21 -6.829 -1.124 13.115 1.00 0.00 O ATOM 364 CB GLN A 21 -8.569 1.605 13.222 1.00 0.00 C ATOM 365 CG GLN A 21 -8.686 2.886 14.031 1.00 0.00 C ATOM 366 CD GLN A 21 -7.797 2.883 15.260 1.00 0.00 C ATOM 367 OE1 GLN A 21 -6.683 3.407 15.237 1.00 0.00 O ATOM 368 NE2 GLN A 21 -8.286 2.289 16.342 1.00 0.00 N ATOM 0 H GLN A 21 -7.325 2.780 11.436 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.502 1.325 13.737 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.157 1.707 12.310 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.005 0.784 13.792 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.424 3.735 13.400 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.723 3.024 14.337 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.214 1.867 16.317 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.733 2.254 17.199 1.00 0.00 H new ATOM 377 N LEU A 22 -7.285 -0.369 11.045 1.00 0.00 N ATOM 378 CA LEU A 22 -7.253 -1.694 10.437 1.00 0.00 C ATOM 379 C LEU A 22 -5.878 -2.335 10.598 1.00 0.00 C ATOM 380 O LEU A 22 -5.764 -3.483 11.029 1.00 0.00 O ATOM 381 CB LEU A 22 -7.616 -1.604 8.953 1.00 0.00 C ATOM 382 CG LEU A 22 -7.571 -2.916 8.170 1.00 0.00 C ATOM 383 CD1 LEU A 22 -8.741 -3.808 8.554 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.573 -2.644 6.673 1.00 0.00 C ATOM 0 H LEU A 22 -7.485 0.389 10.393 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.986 -2.319 10.947 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.620 -1.189 8.870 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.938 -0.896 8.476 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.647 -3.436 8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.692 -4.737 7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.694 -4.031 9.620 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.677 -3.296 8.332 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.541 -3.589 6.131 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.479 -2.102 6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.701 -2.046 6.411 1.00 0.00 H new ATOM 396 N PHE A 23 -4.838 -1.586 10.249 1.00 0.00 N ATOM 397 CA PHE A 23 -3.470 -2.081 10.356 1.00 0.00 C ATOM 398 C PHE A 23 -3.097 -2.338 11.813 1.00 0.00 C ATOM 399 O PHE A 23 -2.512 -3.369 12.143 1.00 0.00 O ATOM 400 CB PHE A 23 -2.493 -1.079 9.738 1.00 0.00 C ATOM 401 CG PHE A 23 -2.326 -1.242 8.253 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.397 -1.039 7.397 1.00 0.00 C ATOM 403 CD2 PHE A 23 -1.101 -1.599 7.716 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.247 -1.188 6.031 1.00 0.00 C ATOM 405 CE2 PHE A 23 -0.945 -1.749 6.351 1.00 0.00 C ATOM 406 CZ PHE A 23 -2.020 -1.545 5.507 1.00 0.00 C ATOM 0 H PHE A 23 -4.916 -0.635 9.890 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.408 -3.023 9.811 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.841 -0.068 9.948 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.521 -1.188 10.219 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.359 -0.761 7.802 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.258 -1.762 8.371 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.089 -1.025 5.374 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.016 -2.025 5.944 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.901 -1.664 4.440 1.00 0.00 H new ATOM 416 N GLY A 24 -3.440 -1.392 12.682 1.00 0.00 N ATOM 417 CA GLY A 24 -3.134 -1.534 14.094 1.00 0.00 C ATOM 418 C GLY A 24 -3.798 -2.748 14.712 1.00 0.00 C ATOM 419 O GLY A 24 -3.212 -3.419 15.561 1.00 0.00 O ATOM 0 H GLY A 24 -3.924 -0.529 12.433 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.054 -1.609 14.223 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.456 -0.638 14.624 1.00 0.00 H new ATOM 423 N ASP A 25 -5.024 -3.029 14.287 1.00 0.00 N ATOM 424 CA ASP A 25 -5.769 -4.170 14.806 1.00 0.00 C ATOM 425 C ASP A 25 -5.086 -5.482 14.432 1.00 0.00 C ATOM 426 O ASP A 25 -5.265 -6.500 15.101 1.00 0.00 O ATOM 427 CB ASP A 25 -7.202 -4.157 14.269 1.00 0.00 C ATOM 428 CG ASP A 25 -8.128 -5.053 15.069 1.00 0.00 C ATOM 429 OD1 ASP A 25 -8.637 -4.598 16.115 1.00 0.00 O ATOM 430 OD2 ASP A 25 -8.343 -6.209 14.649 1.00 0.00 O ATOM 0 H ASP A 25 -5.523 -2.483 13.585 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.794 -4.091 15.893 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.584 -3.136 14.286 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.200 -4.479 13.228 1.00 0.00 H new ATOM 435 N ARG A 26 -4.302 -5.449 13.359 1.00 0.00 N ATOM 436 CA ARG A 26 -3.593 -6.636 12.895 1.00 0.00 C ATOM 437 C ARG A 26 -2.171 -6.669 13.447 1.00 0.00 C ATOM 438 O ARG A 26 -1.305 -7.368 12.920 1.00 0.00 O ATOM 439 CB ARG A 26 -3.559 -6.670 11.366 1.00 0.00 C ATOM 440 CG ARG A 26 -4.801 -7.288 10.744 1.00 0.00 C ATOM 441 CD ARG A 26 -4.658 -8.794 10.594 1.00 0.00 C ATOM 442 NE ARG A 26 -5.951 -9.453 10.427 1.00 0.00 N ATOM 443 CZ ARG A 26 -6.773 -9.723 11.435 1.00 0.00 C ATOM 444 NH1 ARG A 26 -6.437 -9.395 12.675 1.00 0.00 N ATOM 445 NH2 ARG A 26 -7.933 -10.325 11.204 1.00 0.00 N ATOM 0 H ARG A 26 -4.142 -4.614 12.795 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.127 -7.514 13.259 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.442 -5.653 10.991 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.683 -7.232 11.043 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.669 -7.064 11.363 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.982 -6.839 9.767 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.025 -9.014 9.734 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.155 -9.200 11.472 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.238 -9.720 9.485 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.545 -8.934 12.857 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.070 -9.604 13.447 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.194 -10.581 10.252 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.563 -10.532 11.979 1.00 0.00 H new ATOM 459 N LYS A 27 -1.936 -5.908 14.510 1.00 0.00 N ATOM 460 CA LYS A 27 -0.620 -5.850 15.135 1.00 0.00 C ATOM 461 C LYS A 27 0.425 -5.327 14.155 1.00 0.00 C ATOM 462 O LYS A 27 1.568 -5.786 14.146 1.00 0.00 O ATOM 463 CB LYS A 27 -0.210 -7.236 15.640 1.00 0.00 C ATOM 464 CG LYS A 27 -0.719 -7.548 17.036 1.00 0.00 C ATOM 465 CD LYS A 27 -2.147 -8.067 17.007 1.00 0.00 C ATOM 466 CE LYS A 27 -2.555 -8.657 18.348 1.00 0.00 C ATOM 467 NZ LYS A 27 -3.807 -9.456 18.246 1.00 0.00 N ATOM 0 H LYS A 27 -2.641 -5.322 14.957 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.677 -5.164 15.980 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.584 -7.991 14.949 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.878 -7.309 15.634 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.071 -8.290 17.503 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.670 -6.649 17.651 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.825 -7.255 16.745 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.243 -8.826 16.230 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.751 -9.289 18.726 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.695 -7.853 19.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.051 -9.841 19.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.581 -8.848 17.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.666 -10.239 17.576 1.00 0.00 H new ATOM 481 N LEU A 28 0.027 -4.362 13.332 1.00 0.00 N ATOM 482 CA LEU A 28 0.929 -3.774 12.348 1.00 0.00 C ATOM 483 C LEU A 28 0.839 -2.252 12.368 1.00 0.00 C ATOM 484 O LEU A 28 0.161 -1.635 11.546 1.00 0.00 O ATOM 485 CB LEU A 28 0.603 -4.297 10.949 1.00 0.00 C ATOM 486 CG LEU A 28 0.733 -5.808 10.750 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.138 -6.272 9.593 1.00 0.00 C ATOM 488 CD2 LEU A 28 2.187 -6.191 10.512 1.00 0.00 C ATOM 0 H LEU A 28 -0.915 -3.970 13.327 1.00 0.00 H new ATOM 0 HA LEU A 28 1.947 -4.063 12.608 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.418 -4.005 10.702 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.259 -3.799 10.235 1.00 0.00 H new ATOM 0 HG LEU A 28 0.390 -6.305 11.657 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.032 -7.349 9.467 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.180 -6.032 9.803 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.173 -5.767 8.678 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.261 -7.269 10.372 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.556 -5.684 9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.787 -5.894 11.372 1.00 0.00 H new ATOM 500 N PRO A 29 1.540 -1.630 13.328 1.00 0.00 N ATOM 501 CA PRO A 29 1.557 -0.170 13.476 1.00 0.00 C ATOM 502 C PRO A 29 2.311 0.518 12.342 1.00 0.00 C ATOM 503 O PRO A 29 3.469 0.202 12.072 1.00 0.00 O ATOM 504 CB PRO A 29 2.283 0.042 14.806 1.00 0.00 C ATOM 505 CG PRO A 29 3.134 -1.170 14.972 1.00 0.00 C ATOM 506 CD PRO A 29 2.370 -2.301 14.341 1.00 0.00 C ATOM 0 HA PRO A 29 0.554 0.255 13.450 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.886 0.950 14.787 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.577 0.146 15.630 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.102 -1.036 14.490 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.328 -1.370 16.026 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.038 -3.035 13.891 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.760 -2.831 15.073 1.00 0.00 H new ATOM 514 N LEU A 30 1.644 1.460 11.683 1.00 0.00 N ATOM 515 CA LEU A 30 2.252 2.194 10.579 1.00 0.00 C ATOM 516 C LEU A 30 3.227 3.247 11.095 1.00 0.00 C ATOM 517 O LEU A 30 2.824 4.339 11.495 1.00 0.00 O ATOM 518 CB LEU A 30 1.169 2.860 9.727 1.00 0.00 C ATOM 519 CG LEU A 30 0.119 1.926 9.125 1.00 0.00 C ATOM 520 CD1 LEU A 30 -1.155 2.691 8.802 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.665 1.244 7.878 1.00 0.00 C ATOM 0 H LEU A 30 0.684 1.733 11.894 1.00 0.00 H new ATOM 0 HA LEU A 30 2.805 1.484 9.965 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.657 3.602 10.340 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.655 3.399 8.914 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.120 1.158 9.860 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.890 2.009 8.374 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.556 3.132 9.715 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.933 3.481 8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.095 0.583 7.462 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.933 1.999 7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.549 0.662 8.139 1.00 0.00 H new ATOM 533 N ALA A 31 4.513 2.912 11.082 1.00 0.00 N ATOM 534 CA ALA A 31 5.547 3.830 11.545 1.00 0.00 C ATOM 535 C ALA A 31 5.979 4.776 10.431 1.00 0.00 C ATOM 536 O ALA A 31 7.146 5.157 10.345 1.00 0.00 O ATOM 537 CB ALA A 31 6.743 3.052 12.075 1.00 0.00 C ATOM 0 H ALA A 31 4.864 2.012 10.756 1.00 0.00 H new ATOM 0 HA ALA A 31 5.131 4.431 12.354 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.508 3.749 12.417 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.428 2.422 12.907 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.151 2.427 11.281 1.00 0.00 H new ATOM 543 N GLY A 32 5.030 5.152 9.579 1.00 0.00 N ATOM 544 CA GLY A 32 5.334 6.051 8.481 1.00 0.00 C ATOM 545 C GLY A 32 4.187 6.990 8.165 1.00 0.00 C ATOM 546 O GLY A 32 3.515 7.484 9.069 1.00 0.00 O ATOM 0 H GLY A 32 4.057 4.850 9.629 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.220 6.635 8.729 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.576 5.466 7.593 1.00 0.00 H new ATOM 550 N GLN A 33 3.963 7.236 6.878 1.00 0.00 N ATOM 551 CA GLN A 33 2.889 8.124 6.446 1.00 0.00 C ATOM 552 C GLN A 33 1.798 7.345 5.720 1.00 0.00 C ATOM 553 O GLN A 33 2.062 6.307 5.112 1.00 0.00 O ATOM 554 CB GLN A 33 3.442 9.221 5.535 1.00 0.00 C ATOM 555 CG GLN A 33 4.023 8.694 4.233 1.00 0.00 C ATOM 556 CD GLN A 33 4.914 9.707 3.541 1.00 0.00 C ATOM 557 OE1 GLN A 33 6.079 9.877 3.904 1.00 0.00 O ATOM 558 NE2 GLN A 33 4.372 10.385 2.536 1.00 0.00 N ATOM 0 H GLN A 33 4.510 6.834 6.117 1.00 0.00 H new ATOM 0 HA GLN A 33 2.452 8.584 7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.645 9.929 5.307 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.214 9.772 6.071 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.596 7.789 4.435 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.210 8.413 3.564 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.403 10.213 2.268 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.925 11.078 2.032 1.00 0.00 H new ATOM 567 N VAL A 34 0.571 7.852 5.788 1.00 0.00 N ATOM 568 CA VAL A 34 -0.561 7.203 5.136 1.00 0.00 C ATOM 569 C VAL A 34 -1.235 8.144 4.142 1.00 0.00 C ATOM 570 O VAL A 34 -1.427 9.327 4.423 1.00 0.00 O ATOM 571 CB VAL A 34 -1.605 6.729 6.165 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.741 5.994 5.472 1.00 0.00 C ATOM 573 CG2 VAL A 34 -0.950 5.847 7.217 1.00 0.00 C ATOM 0 H VAL A 34 0.335 8.710 6.288 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.167 6.337 4.604 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.023 7.603 6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.469 5.667 6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.225 6.662 4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.345 5.126 4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.701 5.520 7.937 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.505 4.976 6.736 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.174 6.412 7.734 1.00 0.00 H new ATOM 583 N LEU A 35 -1.591 7.609 2.980 1.00 0.00 N ATOM 584 CA LEU A 35 -2.244 8.400 1.943 1.00 0.00 C ATOM 585 C LEU A 35 -3.513 7.710 1.450 1.00 0.00 C ATOM 586 O LEU A 35 -3.476 6.559 1.009 1.00 0.00 O ATOM 587 CB LEU A 35 -1.288 8.631 0.771 1.00 0.00 C ATOM 588 CG LEU A 35 -0.385 9.861 0.875 1.00 0.00 C ATOM 589 CD1 LEU A 35 0.919 9.507 1.572 1.00 0.00 C ATOM 590 CD2 LEU A 35 -0.114 10.442 -0.505 1.00 0.00 C ATOM 0 H LEU A 35 -1.439 6.631 2.732 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.519 9.362 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.656 7.749 0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.877 8.714 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.898 10.616 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.549 10.394 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.707 9.138 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.437 8.735 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.530 11.316 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.379 9.693 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.056 10.733 -0.969 1.00 0.00 H new ATOM 602 N LEU A 36 -4.633 8.419 1.524 1.00 0.00 N ATOM 603 CA LEU A 36 -5.914 7.877 1.084 1.00 0.00 C ATOM 604 C LEU A 36 -6.354 8.517 -0.229 1.00 0.00 C ATOM 605 O LEU A 36 -6.628 9.716 -0.286 1.00 0.00 O ATOM 606 CB LEU A 36 -6.981 8.100 2.156 1.00 0.00 C ATOM 607 CG LEU A 36 -8.421 7.789 1.746 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.581 6.307 1.441 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.391 8.218 2.837 1.00 0.00 C ATOM 0 H LEU A 36 -4.681 9.372 1.885 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.790 6.806 0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.731 7.487 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.933 9.141 2.477 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.650 8.352 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.612 6.104 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.913 6.029 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.332 5.724 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.411 7.989 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.162 7.682 3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.296 9.290 3.007 1.00 0.00 H new ATOM 621 N LYS A 37 -6.421 7.709 -1.282 1.00 0.00 N ATOM 622 CA LYS A 37 -6.832 8.195 -2.594 1.00 0.00 C ATOM 623 C LYS A 37 -8.203 7.647 -2.972 1.00 0.00 C ATOM 624 O LYS A 37 -8.650 6.635 -2.431 1.00 0.00 O ATOM 625 CB LYS A 37 -5.802 7.795 -3.653 1.00 0.00 C ATOM 626 CG LYS A 37 -4.426 8.398 -3.422 1.00 0.00 C ATOM 627 CD LYS A 37 -4.419 9.892 -3.700 1.00 0.00 C ATOM 628 CE LYS A 37 -4.110 10.185 -5.160 1.00 0.00 C ATOM 629 NZ LYS A 37 -4.720 11.468 -5.609 1.00 0.00 N ATOM 0 H LYS A 37 -6.196 6.715 -1.252 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.895 9.282 -2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.715 6.709 -3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.164 8.102 -4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.116 8.217 -2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.698 7.904 -4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.389 10.316 -3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.678 10.378 -3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.030 10.227 -5.301 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.481 9.369 -5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.487 11.632 -6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.753 11.419 -5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.347 12.250 -5.034 1.00 0.00 H new ATOM 643 N SER A 38 -8.869 8.321 -3.905 1.00 0.00 N ATOM 644 CA SER A 38 -10.192 7.903 -4.354 1.00 0.00 C ATOM 645 C SER A 38 -10.114 6.584 -5.119 1.00 0.00 C ATOM 646 O SER A 38 -9.894 6.568 -6.329 1.00 0.00 O ATOM 647 CB SER A 38 -10.819 8.982 -5.238 1.00 0.00 C ATOM 648 OG SER A 38 -12.141 8.634 -5.608 1.00 0.00 O ATOM 0 H SER A 38 -8.514 9.159 -4.365 1.00 0.00 H new ATOM 0 HA SER A 38 -10.818 7.757 -3.474 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.826 9.933 -4.706 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.212 9.121 -6.133 1.00 0.00 H new ATOM 0 HG SER A 38 -12.520 9.341 -6.171 1.00 0.00 H new ATOM 654 N GLY A 39 -10.295 5.479 -4.402 1.00 0.00 N ATOM 655 CA GLY A 39 -10.242 4.171 -5.029 1.00 0.00 C ATOM 656 C GLY A 39 -9.035 3.367 -4.590 1.00 0.00 C ATOM 657 O GLY A 39 -8.975 2.156 -4.807 1.00 0.00 O ATOM 0 H GLY A 39 -10.477 5.466 -3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.150 3.619 -4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.220 4.291 -6.112 1.00 0.00 H new ATOM 661 N TYR A 40 -8.069 4.041 -3.974 1.00 0.00 N ATOM 662 CA TYR A 40 -6.856 3.381 -3.508 1.00 0.00 C ATOM 663 C TYR A 40 -6.218 4.160 -2.362 1.00 0.00 C ATOM 664 O TYR A 40 -6.706 5.220 -1.970 1.00 0.00 O ATOM 665 CB TYR A 40 -5.856 3.234 -4.657 1.00 0.00 C ATOM 666 CG TYR A 40 -5.656 4.504 -5.452 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.626 4.949 -6.343 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.499 5.260 -5.312 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.446 6.109 -7.072 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.312 6.421 -6.036 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.288 6.842 -6.915 1.00 0.00 C ATOM 672 OH TYR A 40 -5.107 7.998 -7.638 1.00 0.00 O ATOM 0 H TYR A 40 -8.103 5.043 -3.786 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.129 2.391 -3.143 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.896 2.913 -4.253 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.199 2.446 -5.327 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.535 4.379 -6.467 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.732 4.934 -4.625 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.208 6.440 -7.762 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.406 6.996 -5.915 1.00 0.00 H new ATOM 0 HH TYR A 40 -5.977 8.411 -7.818 1.00 0.00 H new ATOM 682 N ALA A 41 -5.124 3.628 -1.829 1.00 0.00 N ATOM 683 CA ALA A 41 -4.416 4.273 -0.730 1.00 0.00 C ATOM 684 C ALA A 41 -2.976 3.780 -0.638 1.00 0.00 C ATOM 685 O ALA A 41 -2.694 2.608 -0.889 1.00 0.00 O ATOM 686 CB ALA A 41 -5.145 4.028 0.583 1.00 0.00 C ATOM 0 H ALA A 41 -4.708 2.751 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.392 5.345 -0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.605 4.515 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.154 4.437 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.199 2.956 0.775 1.00 0.00 H new ATOM 692 N PHE A 42 -2.069 4.681 -0.279 1.00 0.00 N ATOM 693 CA PHE A 42 -0.657 4.337 -0.155 1.00 0.00 C ATOM 694 C PHE A 42 -0.218 4.353 1.307 1.00 0.00 C ATOM 695 O PHE A 42 -0.643 5.209 2.084 1.00 0.00 O ATOM 696 CB PHE A 42 0.199 5.311 -0.968 1.00 0.00 C ATOM 697 CG PHE A 42 -0.305 5.531 -2.365 1.00 0.00 C ATOM 698 CD1 PHE A 42 -0.246 4.515 -3.304 1.00 0.00 C ATOM 699 CD2 PHE A 42 -0.838 6.755 -2.738 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.708 4.716 -4.591 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.302 6.960 -4.025 1.00 0.00 C ATOM 702 CZ PHE A 42 -1.238 5.939 -4.951 1.00 0.00 C ATOM 0 H PHE A 42 -2.286 5.655 -0.069 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.519 3.329 -0.545 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.237 6.269 -0.449 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.220 4.933 -1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.165 3.555 -3.028 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.892 7.557 -2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.654 3.916 -5.315 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.714 7.918 -4.305 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.602 6.096 -5.956 1.00 0.00 H new ATOM 712 N VAL A 43 0.633 3.400 1.673 1.00 0.00 N ATOM 713 CA VAL A 43 1.130 3.305 3.041 1.00 0.00 C ATOM 714 C VAL A 43 2.637 3.076 3.063 1.00 0.00 C ATOM 715 O VAL A 43 3.175 2.333 2.241 1.00 0.00 O ATOM 716 CB VAL A 43 0.437 2.165 3.810 1.00 0.00 C ATOM 717 CG1 VAL A 43 -1.055 2.435 3.935 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.690 0.830 3.127 1.00 0.00 C ATOM 0 H VAL A 43 0.992 2.683 1.042 1.00 0.00 H new ATOM 0 HA VAL A 43 0.903 4.253 3.528 1.00 0.00 H new ATOM 0 HB VAL A 43 0.859 2.119 4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.528 1.619 4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.212 3.370 4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.496 2.510 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.193 0.036 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.297 0.861 2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.762 0.635 3.096 1.00 0.00 H new ATOM 728 N ASP A 44 3.314 3.719 4.007 1.00 0.00 N ATOM 729 CA ASP A 44 4.760 3.584 4.139 1.00 0.00 C ATOM 730 C ASP A 44 5.115 2.463 5.110 1.00 0.00 C ATOM 731 O ASP A 44 4.710 2.483 6.272 1.00 0.00 O ATOM 732 CB ASP A 44 5.375 4.901 4.613 1.00 0.00 C ATOM 733 CG ASP A 44 6.890 4.888 4.551 1.00 0.00 C ATOM 734 OD1 ASP A 44 7.437 4.717 3.442 1.00 0.00 O ATOM 735 OD2 ASP A 44 7.529 5.048 5.612 1.00 0.00 O ATOM 0 H ASP A 44 2.884 4.340 4.693 1.00 0.00 H new ATOM 0 HA ASP A 44 5.168 3.334 3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.996 5.718 3.998 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.058 5.099 5.637 1.00 0.00 H new ATOM 740 N TYR A 45 5.874 1.486 4.625 1.00 0.00 N ATOM 741 CA TYR A 45 6.282 0.354 5.450 1.00 0.00 C ATOM 742 C TYR A 45 7.628 0.622 6.116 1.00 0.00 C ATOM 743 O TYR A 45 8.525 1.234 5.538 1.00 0.00 O ATOM 744 CB TYR A 45 6.363 -0.917 4.603 1.00 0.00 C ATOM 745 CG TYR A 45 7.466 -0.886 3.570 1.00 0.00 C ATOM 746 CD1 TYR A 45 8.779 -1.185 3.917 1.00 0.00 C ATOM 747 CD2 TYR A 45 7.197 -0.561 2.246 1.00 0.00 C ATOM 748 CE1 TYR A 45 9.790 -1.157 2.977 1.00 0.00 C ATOM 749 CE2 TYR A 45 8.202 -0.532 1.299 1.00 0.00 C ATOM 750 CZ TYR A 45 9.496 -0.831 1.669 1.00 0.00 C ATOM 751 OH TYR A 45 10.501 -0.804 0.729 1.00 0.00 O ATOM 0 H TYR A 45 6.219 1.455 3.666 1.00 0.00 H new ATOM 0 HA TYR A 45 5.533 0.216 6.230 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.516 -1.773 5.261 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.409 -1.069 4.099 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.012 -1.444 4.939 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.184 -0.327 1.952 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.805 -1.389 3.264 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.975 -0.277 0.274 1.00 0.00 H new ATOM 0 HH TYR A 45 10.133 -1.035 -0.150 1.00 0.00 H new ATOM 761 N PRO A 46 7.772 0.153 7.364 1.00 0.00 N ATOM 762 CA PRO A 46 9.006 0.327 8.138 1.00 0.00 C ATOM 763 C PRO A 46 10.159 -0.504 7.586 1.00 0.00 C ATOM 764 O PRO A 46 11.255 0.010 7.362 1.00 0.00 O ATOM 765 CB PRO A 46 8.618 -0.159 9.537 1.00 0.00 C ATOM 766 CG PRO A 46 7.494 -1.109 9.310 1.00 0.00 C ATOM 767 CD PRO A 46 6.744 -0.587 8.116 1.00 0.00 C ATOM 0 HA PRO A 46 9.361 1.357 8.113 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.456 -0.649 10.032 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.312 0.671 10.174 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.866 -2.117 9.127 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.846 -1.163 10.185 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.318 -1.397 7.524 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.918 0.060 8.412 1.00 0.00 H new ATOM 775 N ASP A 47 9.904 -1.790 7.368 1.00 0.00 N ATOM 776 CA ASP A 47 10.922 -2.692 6.840 1.00 0.00 C ATOM 777 C ASP A 47 10.334 -3.607 5.771 1.00 0.00 C ATOM 778 O ASP A 47 9.118 -3.769 5.680 1.00 0.00 O ATOM 779 CB ASP A 47 11.527 -3.529 7.969 1.00 0.00 C ATOM 780 CG ASP A 47 10.469 -4.148 8.861 1.00 0.00 C ATOM 781 OD1 ASP A 47 9.781 -3.393 9.580 1.00 0.00 O ATOM 782 OD2 ASP A 47 10.328 -5.388 8.840 1.00 0.00 O ATOM 0 H ASP A 47 9.002 -2.231 7.549 1.00 0.00 H new ATOM 0 HA ASP A 47 11.707 -2.088 6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.145 -4.319 7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.184 -2.901 8.571 1.00 0.00 H new ATOM 787 N GLN A 48 11.206 -4.201 4.963 1.00 0.00 N ATOM 788 CA GLN A 48 10.774 -5.098 3.898 1.00 0.00 C ATOM 789 C GLN A 48 9.998 -6.282 4.466 1.00 0.00 C ATOM 790 O GLN A 48 9.014 -6.731 3.880 1.00 0.00 O ATOM 791 CB GLN A 48 11.979 -5.598 3.101 1.00 0.00 C ATOM 792 CG GLN A 48 11.615 -6.175 1.744 1.00 0.00 C ATOM 793 CD GLN A 48 12.819 -6.344 0.839 1.00 0.00 C ATOM 794 OE1 GLN A 48 13.157 -5.451 0.062 1.00 0.00 O ATOM 795 NE2 GLN A 48 13.474 -7.496 0.935 1.00 0.00 N ATOM 0 H GLN A 48 12.217 -4.077 5.026 1.00 0.00 H new ATOM 0 HA GLN A 48 10.115 -4.540 3.233 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.678 -4.774 2.960 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.498 -6.360 3.683 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.131 -7.142 1.883 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.889 -5.522 1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.159 -8.209 1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.292 -7.668 0.351 1.00 0.00 H new ATOM 804 N ASN A 49 10.449 -6.784 5.612 1.00 0.00 N ATOM 805 CA ASN A 49 9.797 -7.917 6.258 1.00 0.00 C ATOM 806 C ASN A 49 8.378 -7.557 6.687 1.00 0.00 C ATOM 807 O ASN A 49 7.443 -8.332 6.488 1.00 0.00 O ATOM 808 CB ASN A 49 10.608 -8.374 7.473 1.00 0.00 C ATOM 809 CG ASN A 49 11.696 -9.364 7.102 1.00 0.00 C ATOM 810 OD1 ASN A 49 11.727 -9.878 5.985 1.00 0.00 O ATOM 811 ND2 ASN A 49 12.593 -9.636 8.043 1.00 0.00 N ATOM 0 H ASN A 49 11.262 -6.424 6.111 1.00 0.00 H new ATOM 0 HA ASN A 49 9.744 -8.732 5.537 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.059 -7.506 7.953 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.939 -8.830 8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.347 -10.296 7.853 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.527 -9.185 8.956 1.00 0.00 H new ATOM 818 N TRP A 50 8.226 -6.375 7.275 1.00 0.00 N ATOM 819 CA TRP A 50 6.920 -5.912 7.731 1.00 0.00 C ATOM 820 C TRP A 50 5.974 -5.706 6.554 1.00 0.00 C ATOM 821 O TRP A 50 4.799 -6.067 6.620 1.00 0.00 O ATOM 822 CB TRP A 50 7.066 -4.608 8.518 1.00 0.00 C ATOM 823 CG TRP A 50 5.758 -4.051 8.991 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.253 -4.110 10.259 1.00 0.00 C ATOM 825 CD2 TRP A 50 4.787 -3.353 8.203 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.027 -3.490 10.306 1.00 0.00 N ATOM 827 CE2 TRP A 50 3.720 -3.017 9.057 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.718 -2.978 6.859 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.597 -2.324 8.609 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.604 -2.291 6.416 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.557 -1.969 7.288 1.00 0.00 C ATOM 0 H TRP A 50 8.990 -5.721 7.447 1.00 0.00 H new ATOM 0 HA TRP A 50 6.498 -6.677 8.382 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.711 -4.782 9.379 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.563 -3.867 7.891 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.745 -4.575 11.101 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.441 -3.397 11.136 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.521 -3.221 6.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.788 -2.076 9.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.540 -1.997 5.379 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.701 -1.430 6.911 1.00 0.00 H new ATOM 842 N ALA A 51 6.492 -5.125 5.477 1.00 0.00 N ATOM 843 CA ALA A 51 5.692 -4.874 4.285 1.00 0.00 C ATOM 844 C ALA A 51 5.171 -6.177 3.689 1.00 0.00 C ATOM 845 O ALA A 51 3.982 -6.303 3.391 1.00 0.00 O ATOM 846 CB ALA A 51 6.509 -4.110 3.253 1.00 0.00 C ATOM 0 H ALA A 51 7.462 -4.819 5.406 1.00 0.00 H new ATOM 0 HA ALA A 51 4.833 -4.268 4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.899 -3.929 2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.828 -3.157 3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.385 -4.696 2.976 1.00 0.00 H new ATOM 852 N ILE A 52 6.066 -7.145 3.519 1.00 0.00 N ATOM 853 CA ILE A 52 5.694 -8.438 2.959 1.00 0.00 C ATOM 854 C ILE A 52 4.706 -9.166 3.865 1.00 0.00 C ATOM 855 O ILE A 52 3.716 -9.726 3.396 1.00 0.00 O ATOM 856 CB ILE A 52 6.929 -9.334 2.743 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.951 -8.624 1.852 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.518 -10.664 2.130 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.349 -9.189 1.967 1.00 0.00 C ATOM 0 H ILE A 52 7.053 -7.058 3.761 1.00 0.00 H new ATOM 0 HA ILE A 52 5.224 -8.241 1.996 1.00 0.00 H new ATOM 0 HB ILE A 52 7.391 -9.530 3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.625 -8.691 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.973 -7.565 2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.401 -11.286 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.823 -11.173 2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.035 -10.488 1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.020 -8.638 1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.695 -9.097 2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.341 -10.240 1.679 1.00 0.00 H new ATOM 871 N ARG A 53 4.982 -9.150 5.164 1.00 0.00 N ATOM 872 CA ARG A 53 4.116 -9.808 6.137 1.00 0.00 C ATOM 873 C ARG A 53 2.784 -9.073 6.263 1.00 0.00 C ATOM 874 O ARG A 53 1.745 -9.689 6.495 1.00 0.00 O ATOM 875 CB ARG A 53 4.805 -9.876 7.501 1.00 0.00 C ATOM 876 CG ARG A 53 4.107 -10.795 8.490 1.00 0.00 C ATOM 877 CD ARG A 53 4.323 -12.259 8.140 1.00 0.00 C ATOM 878 NE ARG A 53 5.549 -12.788 8.732 1.00 0.00 N ATOM 879 CZ ARG A 53 5.693 -13.026 10.031 1.00 0.00 C ATOM 880 NH1 ARG A 53 4.694 -12.783 10.868 1.00 0.00 N ATOM 881 NH2 ARG A 53 6.839 -13.508 10.495 1.00 0.00 N ATOM 0 H ARG A 53 5.797 -8.689 5.568 1.00 0.00 H new ATOM 0 HA ARG A 53 3.921 -10.821 5.786 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.831 -10.216 7.364 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.856 -8.873 7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.482 -10.601 9.495 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.039 -10.576 8.500 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.471 -12.844 8.487 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.366 -12.370 7.057 1.00 0.00 H new ATOM 0 HE ARG A 53 6.337 -12.985 8.115 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.812 -12.412 10.515 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.808 -12.967 11.865 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.610 -13.696 9.854 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.949 -13.690 11.493 1.00 0.00 H new ATOM 895 N ALA A 54 2.825 -7.754 6.111 1.00 0.00 N ATOM 896 CA ALA A 54 1.623 -6.936 6.207 1.00 0.00 C ATOM 897 C ALA A 54 0.678 -7.210 5.041 1.00 0.00 C ATOM 898 O ALA A 54 -0.525 -7.389 5.235 1.00 0.00 O ATOM 899 CB ALA A 54 1.991 -5.460 6.254 1.00 0.00 C ATOM 0 H ALA A 54 3.678 -7.229 5.921 1.00 0.00 H new ATOM 0 HA ALA A 54 1.107 -7.200 7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.083 -4.861 6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.621 -5.270 7.123 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.533 -5.191 5.347 1.00 0.00 H new ATOM 905 N ILE A 55 1.229 -7.242 3.834 1.00 0.00 N ATOM 906 CA ILE A 55 0.435 -7.495 2.638 1.00 0.00 C ATOM 907 C ILE A 55 -0.160 -8.899 2.660 1.00 0.00 C ATOM 908 O ILE A 55 -1.349 -9.083 2.405 1.00 0.00 O ATOM 909 CB ILE A 55 1.275 -7.326 1.358 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.705 -5.867 1.194 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.486 -7.791 0.142 1.00 0.00 C ATOM 912 CD1 ILE A 55 3.015 -5.703 0.454 1.00 0.00 C ATOM 0 H ILE A 55 2.223 -7.096 3.657 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.371 -6.761 2.634 1.00 0.00 H new ATOM 0 HB ILE A 55 2.170 -7.942 1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.925 -5.324 0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.794 -5.410 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.092 -7.666 -0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.224 -8.843 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.424 -7.198 0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.258 -4.643 0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.807 -6.217 0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.925 -6.130 -0.545 1.00 0.00 H new ATOM 924 N GLU A 56 0.676 -9.885 2.968 1.00 0.00 N ATOM 925 CA GLU A 56 0.232 -11.273 3.025 1.00 0.00 C ATOM 926 C GLU A 56 -0.821 -11.463 4.112 1.00 0.00 C ATOM 927 O GLU A 56 -1.769 -12.232 3.949 1.00 0.00 O ATOM 928 CB GLU A 56 1.420 -12.202 3.283 1.00 0.00 C ATOM 929 CG GLU A 56 1.248 -13.590 2.686 1.00 0.00 C ATOM 930 CD GLU A 56 0.584 -14.558 3.645 1.00 0.00 C ATOM 931 OE1 GLU A 56 -0.645 -14.451 3.839 1.00 0.00 O ATOM 932 OE2 GLU A 56 1.292 -15.423 4.202 1.00 0.00 O ATOM 0 H GLU A 56 1.664 -9.749 3.182 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.214 -11.524 2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.322 -11.748 2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.572 -12.294 4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.652 -13.519 1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.224 -13.981 2.398 1.00 0.00 H new ATOM 939 N THR A 57 -0.649 -10.757 5.225 1.00 0.00 N ATOM 940 CA THR A 57 -1.582 -10.847 6.341 1.00 0.00 C ATOM 941 C THR A 57 -2.824 -10.001 6.089 1.00 0.00 C ATOM 942 O THR A 57 -3.891 -10.265 6.646 1.00 0.00 O ATOM 943 CB THR A 57 -0.927 -10.396 7.661 1.00 0.00 C ATOM 944 OG1 THR A 57 0.029 -11.372 8.091 1.00 0.00 O ATOM 945 CG2 THR A 57 -1.974 -10.192 8.744 1.00 0.00 C ATOM 0 H THR A 57 0.129 -10.116 5.378 1.00 0.00 H new ATOM 0 HA THR A 57 -1.870 -11.895 6.427 1.00 0.00 H new ATOM 0 HB THR A 57 -0.422 -9.446 7.484 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.908 -11.156 7.716 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.487 -9.874 9.666 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.683 -9.427 8.426 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.504 -11.128 8.918 1.00 0.00 H new ATOM 953 N LEU A 58 -2.681 -8.985 5.246 1.00 0.00 N ATOM 954 CA LEU A 58 -3.793 -8.099 4.919 1.00 0.00 C ATOM 955 C LEU A 58 -4.418 -8.481 3.581 1.00 0.00 C ATOM 956 O LEU A 58 -5.557 -8.946 3.526 1.00 0.00 O ATOM 957 CB LEU A 58 -3.319 -6.646 4.878 1.00 0.00 C ATOM 958 CG LEU A 58 -2.838 -6.058 6.205 1.00 0.00 C ATOM 959 CD1 LEU A 58 -2.060 -4.773 5.968 1.00 0.00 C ATOM 960 CD2 LEU A 58 -4.016 -5.808 7.135 1.00 0.00 C ATOM 0 H LEU A 58 -1.806 -8.754 4.776 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.550 -8.205 5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.507 -6.570 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.136 -6.029 4.505 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.172 -6.778 6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.726 -4.369 6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.194 -4.982 5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.702 -4.046 5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.655 -5.390 8.075 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.707 -5.107 6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.531 -6.748 7.331 1.00 0.00 H new ATOM 972 N SER A 59 -3.664 -8.285 2.504 1.00 0.00 N ATOM 973 CA SER A 59 -4.145 -8.607 1.165 1.00 0.00 C ATOM 974 C SER A 59 -4.576 -10.068 1.081 1.00 0.00 C ATOM 975 O SER A 59 -3.762 -10.977 1.233 1.00 0.00 O ATOM 976 CB SER A 59 -3.056 -8.323 0.128 1.00 0.00 C ATOM 977 OG SER A 59 -3.586 -8.338 -1.185 1.00 0.00 O ATOM 0 H SER A 59 -2.718 -7.905 2.532 1.00 0.00 H new ATOM 0 HA SER A 59 -5.010 -7.978 0.954 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.602 -7.353 0.329 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.265 -9.068 0.213 1.00 0.00 H new ATOM 0 HG SER A 59 -2.871 -8.152 -1.829 1.00 0.00 H new ATOM 983 N GLY A 60 -5.865 -10.284 0.835 1.00 0.00 N ATOM 984 CA GLY A 60 -6.384 -11.636 0.734 1.00 0.00 C ATOM 985 C GLY A 60 -6.710 -12.235 2.088 1.00 0.00 C ATOM 986 O GLY A 60 -7.272 -13.326 2.173 1.00 0.00 O ATOM 0 H GLY A 60 -6.558 -9.548 0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.282 -11.632 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.652 -12.266 0.228 1.00 0.00 H new ATOM 990 N LYS A 61 -6.356 -11.520 3.150 1.00 0.00 N ATOM 991 CA LYS A 61 -6.613 -11.987 4.508 1.00 0.00 C ATOM 992 C LYS A 61 -7.367 -10.932 5.311 1.00 0.00 C ATOM 993 O LYS A 61 -7.517 -11.053 6.527 1.00 0.00 O ATOM 994 CB LYS A 61 -5.297 -12.332 5.208 1.00 0.00 C ATOM 995 CG LYS A 61 -4.866 -13.775 5.015 1.00 0.00 C ATOM 996 CD LYS A 61 -5.544 -14.698 6.016 1.00 0.00 C ATOM 997 CE LYS A 61 -6.936 -15.098 5.550 1.00 0.00 C ATOM 998 NZ LYS A 61 -7.355 -16.409 6.118 1.00 0.00 N ATOM 0 H LYS A 61 -5.890 -10.614 3.097 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.231 -12.883 4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.513 -11.674 4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.399 -12.132 6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.107 -14.095 4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.784 -13.850 5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.936 -15.591 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.612 -14.201 6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.652 -14.330 5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.953 -15.152 4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.308 -16.646 5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.686 -17.147 5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.363 -16.351 7.156 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.843 -9.898 4.623 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.584 -8.824 5.272 1.00 0.00 C ATOM 1014 C VAL A 62 -9.655 -8.257 4.346 1.00 0.00 C ATOM 1015 O VAL A 62 -9.379 -7.921 3.195 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.649 -7.684 5.715 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -8.449 -6.432 6.041 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -6.810 -8.116 6.908 1.00 0.00 C ATOM 0 H VAL A 62 -7.728 -9.782 3.616 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.060 -9.256 6.152 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.975 -7.451 4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.771 -5.638 6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.001 -6.112 5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.149 -6.648 6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.155 -7.298 7.208 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.466 -8.378 7.738 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.207 -8.982 6.634 1.00 0.00 H new ATOM 1028 N GLU A 63 -10.879 -8.156 4.858 1.00 0.00 N ATOM 1029 CA GLU A 63 -11.991 -7.630 4.075 1.00 0.00 C ATOM 1030 C GLU A 63 -12.578 -6.384 4.732 1.00 0.00 C ATOM 1031 O GLU A 63 -12.866 -6.377 5.930 1.00 0.00 O ATOM 1032 CB GLU A 63 -13.078 -8.694 3.913 1.00 0.00 C ATOM 1033 CG GLU A 63 -14.231 -8.257 3.027 1.00 0.00 C ATOM 1034 CD GLU A 63 -15.382 -9.245 3.036 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -16.023 -9.396 4.096 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -15.641 -9.865 1.984 1.00 0.00 O ATOM 0 H GLU A 63 -11.124 -8.431 5.809 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.611 -7.356 3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.632 -9.596 3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.467 -8.957 4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.591 -7.283 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.872 -8.133 2.005 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.751 -5.331 3.941 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.303 -4.078 4.445 1.00 0.00 C ATOM 1045 C LEU A 64 -14.593 -3.719 3.716 1.00 0.00 C ATOM 1046 O LEU A 64 -14.617 -3.617 2.489 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.283 -2.949 4.288 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.404 -1.791 5.280 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.370 -2.309 6.710 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.295 -0.775 5.053 1.00 0.00 C ATOM 0 H LEU A 64 -12.517 -5.320 2.948 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.530 -4.209 5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.284 -3.375 4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.369 -2.547 3.279 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.361 -1.296 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.457 -1.472 7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.200 -2.998 6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.428 -2.829 6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.398 0.041 5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.327 -1.257 5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.365 -0.380 4.039 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.664 -3.526 4.478 1.00 0.00 N ATOM 1063 CA HIS A 65 -16.959 -3.174 3.905 1.00 0.00 C ATOM 1064 C HIS A 65 -17.465 -4.284 2.988 1.00 0.00 C ATOM 1065 O HIS A 65 -18.158 -4.022 2.006 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.856 -1.862 3.128 1.00 0.00 C ATOM 1067 CG HIS A 65 -17.128 -0.649 3.964 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -18.401 -0.204 4.252 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -16.283 0.212 4.577 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -18.327 0.880 5.004 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -17.052 1.152 5.216 1.00 0.00 N ATOM 0 H HIS A 65 -15.661 -3.607 5.495 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.670 -3.048 4.722 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.858 -1.781 2.698 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.560 -1.885 2.296 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.204 0.168 4.565 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -19.166 1.447 5.381 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.696 1.934 5.766 1.00 0.00 H new ATOM 1079 N GLY A 66 -17.113 -5.524 3.315 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.539 -6.654 2.510 1.00 0.00 C ATOM 1081 C GLY A 66 -16.718 -6.808 1.245 1.00 0.00 C ATOM 1082 O GLY A 66 -17.006 -7.664 0.409 1.00 0.00 O ATOM 0 H GLY A 66 -16.540 -5.766 4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.464 -7.566 3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.589 -6.532 2.245 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.692 -5.976 1.104 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.825 -6.022 -0.068 1.00 0.00 C ATOM 1088 C LYS A 67 -13.393 -6.371 0.327 1.00 0.00 C ATOM 1089 O LYS A 67 -12.829 -5.774 1.243 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.849 -4.677 -0.799 1.00 0.00 C ATOM 1091 CG LYS A 67 -16.126 -4.435 -1.585 1.00 0.00 C ATOM 1092 CD LYS A 67 -16.009 -3.209 -2.476 1.00 0.00 C ATOM 1093 CE LYS A 67 -17.268 -2.998 -3.302 1.00 0.00 C ATOM 1094 NZ LYS A 67 -17.407 -4.021 -4.373 1.00 0.00 N ATOM 0 H LYS A 67 -15.440 -5.261 1.787 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.199 -6.799 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.723 -3.875 -0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.999 -4.627 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.350 -5.310 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.960 -4.306 -0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.824 -2.328 -1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.152 -3.321 -3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.140 -3.035 -2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.246 -2.004 -3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.221 -3.784 -4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.542 -4.039 -4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.556 -4.956 -3.943 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.813 -7.343 -0.370 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.447 -7.769 -0.093 1.00 0.00 C ATOM 1110 C ILE A 68 -10.444 -6.690 -0.485 1.00 0.00 C ATOM 1111 O ILE A 68 -10.471 -6.179 -1.603 1.00 0.00 O ATOM 1112 CB ILE A 68 -11.101 -9.071 -0.839 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -12.163 -10.139 -0.566 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.725 -9.568 -0.428 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -12.149 -10.653 0.856 1.00 0.00 C ATOM 0 H ILE A 68 -13.268 -7.850 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.384 -7.947 0.980 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.086 -8.865 -1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.147 -9.726 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.010 -10.975 -1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.496 -10.489 -0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.978 -8.812 -0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.713 -9.760 0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.927 -11.407 0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.177 -11.096 1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.333 -9.827 1.543 1.00 0.00 H new ATOM 1127 N MET A 69 -9.556 -6.349 0.445 1.00 0.00 N ATOM 1128 CA MET A 69 -8.541 -5.332 0.195 1.00 0.00 C ATOM 1129 C MET A 69 -7.307 -5.946 -0.459 1.00 0.00 C ATOM 1130 O MET A 69 -6.848 -7.015 -0.059 1.00 0.00 O ATOM 1131 CB MET A 69 -8.149 -4.641 1.503 1.00 0.00 C ATOM 1132 CG MET A 69 -6.997 -5.319 2.226 1.00 0.00 C ATOM 1133 SD MET A 69 -6.922 -4.883 3.974 1.00 0.00 S ATOM 1134 CE MET A 69 -6.468 -3.153 3.873 1.00 0.00 C ATOM 0 H MET A 69 -9.519 -6.762 1.377 1.00 0.00 H new ATOM 0 HA MET A 69 -8.962 -4.593 -0.486 1.00 0.00 H new ATOM 0 HB2 MET A 69 -7.876 -3.607 1.291 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.016 -4.613 2.164 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.098 -6.400 2.129 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.058 -5.042 1.746 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.729 -2.925 4.641 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.046 -2.944 2.890 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.353 -2.535 4.027 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.777 -5.262 -1.468 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.597 -5.741 -2.178 1.00 0.00 C ATOM 1146 C GLU A 70 -4.413 -4.803 -1.962 1.00 0.00 C ATOM 1147 O GLU A 70 -4.487 -3.611 -2.261 1.00 0.00 O ATOM 1148 CB GLU A 70 -5.891 -5.871 -3.674 1.00 0.00 C ATOM 1149 CG GLU A 70 -6.464 -7.222 -4.066 1.00 0.00 C ATOM 1150 CD GLU A 70 -7.331 -7.151 -5.308 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -7.979 -6.105 -5.520 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -7.360 -8.141 -6.069 1.00 0.00 O ATOM 0 H GLU A 70 -7.146 -4.375 -1.812 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.339 -6.722 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.592 -5.089 -3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.971 -5.700 -4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.647 -7.923 -4.238 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.053 -7.616 -3.238 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.319 -5.350 -1.438 1.00 0.00 N ATOM 1160 CA VAL A 71 -2.119 -4.563 -1.181 1.00 0.00 C ATOM 1161 C VAL A 71 -0.929 -5.105 -1.965 1.00 0.00 C ATOM 1162 O VAL A 71 -0.623 -6.296 -1.906 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.769 -4.548 0.318 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.707 -3.497 0.608 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -3.015 -4.303 1.154 1.00 0.00 C ATOM 0 H VAL A 71 -3.240 -6.335 -1.184 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.331 -3.545 -1.507 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.364 -5.523 0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.472 -3.501 1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.194 -3.723 0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.081 -2.514 0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.748 -4.296 2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.452 -3.342 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.740 -5.096 0.968 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.261 -4.222 -2.699 1.00 0.00 N ATOM 1176 CA ASP A 72 0.898 -4.611 -3.496 1.00 0.00 C ATOM 1177 C ASP A 72 1.876 -3.448 -3.634 1.00 0.00 C ATOM 1178 O ASP A 72 1.471 -2.287 -3.700 1.00 0.00 O ATOM 1179 CB ASP A 72 0.456 -5.089 -4.879 1.00 0.00 C ATOM 1180 CG ASP A 72 -0.740 -6.020 -4.815 1.00 0.00 C ATOM 1181 OD1 ASP A 72 -1.884 -5.518 -4.824 1.00 0.00 O ATOM 1182 OD2 ASP A 72 -0.532 -7.249 -4.757 1.00 0.00 O ATOM 0 H ASP A 72 -0.501 -3.233 -2.759 1.00 0.00 H new ATOM 0 HA ASP A 72 1.403 -5.429 -2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.208 -4.226 -5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.286 -5.601 -5.366 1.00 0.00 H new ATOM 1187 N TYR A 73 3.165 -3.768 -3.679 1.00 0.00 N ATOM 1188 CA TYR A 73 4.201 -2.751 -3.806 1.00 0.00 C ATOM 1189 C TYR A 73 3.761 -1.642 -4.756 1.00 0.00 C ATOM 1190 O TYR A 73 2.939 -1.860 -5.646 1.00 0.00 O ATOM 1191 CB TYR A 73 5.503 -3.379 -4.306 1.00 0.00 C ATOM 1192 CG TYR A 73 5.949 -4.574 -3.495 1.00 0.00 C ATOM 1193 CD1 TYR A 73 6.120 -4.481 -2.119 1.00 0.00 C ATOM 1194 CD2 TYR A 73 6.201 -5.798 -4.105 1.00 0.00 C ATOM 1195 CE1 TYR A 73 6.527 -5.570 -1.375 1.00 0.00 C ATOM 1196 CE2 TYR A 73 6.608 -6.892 -3.368 1.00 0.00 C ATOM 1197 CZ TYR A 73 6.770 -6.774 -2.003 1.00 0.00 C ATOM 1198 OH TYR A 73 7.177 -7.862 -1.265 1.00 0.00 O ATOM 0 H TYR A 73 3.517 -4.724 -3.629 1.00 0.00 H new ATOM 0 HA TYR A 73 4.370 -2.316 -2.821 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.374 -3.683 -5.345 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.290 -2.625 -4.290 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.931 -3.540 -1.623 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.076 -5.894 -5.173 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.655 -5.480 -0.306 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.799 -7.836 -3.858 1.00 0.00 H new ATOM 0 HH TYR A 73 8.092 -7.717 -0.946 1.00 0.00 H new ATOM 1208 N SER A 74 4.315 -0.449 -4.560 1.00 0.00 N ATOM 1209 CA SER A 74 3.978 0.697 -5.396 1.00 0.00 C ATOM 1210 C SER A 74 4.991 0.861 -6.526 1.00 0.00 C ATOM 1211 O SER A 74 5.660 1.889 -6.631 1.00 0.00 O ATOM 1212 CB SER A 74 3.927 1.973 -4.553 1.00 0.00 C ATOM 1213 OG SER A 74 5.230 2.410 -4.210 1.00 0.00 O ATOM 0 H SER A 74 4.999 -0.252 -3.830 1.00 0.00 H new ATOM 0 HA SER A 74 2.996 0.520 -5.834 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.411 2.758 -5.106 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.351 1.791 -3.646 1.00 0.00 H new ATOM 0 HG SER A 74 5.737 2.601 -5.027 1.00 0.00 H new ATOM 1219 N VAL A 75 5.095 -0.160 -7.371 1.00 0.00 N ATOM 1220 CA VAL A 75 6.025 -0.131 -8.494 1.00 0.00 C ATOM 1221 C VAL A 75 5.285 -0.249 -9.822 1.00 0.00 C ATOM 1222 O VAL A 75 4.478 -1.159 -10.015 1.00 0.00 O ATOM 1223 CB VAL A 75 7.063 -1.263 -8.394 1.00 0.00 C ATOM 1224 CG1 VAL A 75 7.881 -1.127 -7.118 1.00 0.00 C ATOM 1225 CG2 VAL A 75 6.378 -2.620 -8.455 1.00 0.00 C ATOM 0 H VAL A 75 4.547 -1.017 -7.299 1.00 0.00 H new ATOM 0 HA VAL A 75 6.542 0.828 -8.453 1.00 0.00 H new ATOM 0 HB VAL A 75 7.742 -1.185 -9.243 1.00 0.00 H new ATOM 0 HG11 VAL A 75 8.609 -1.936 -7.065 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.402 -0.169 -7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.219 -1.178 -6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.127 -3.409 -8.383 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.675 -2.710 -7.627 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.841 -2.714 -9.399 1.00 0.00 H new ATOM 1235 N SER A 76 5.567 0.675 -10.735 1.00 0.00 N ATOM 1236 CA SER A 76 4.925 0.675 -12.044 1.00 0.00 C ATOM 1237 C SER A 76 5.839 0.054 -13.096 1.00 0.00 C ATOM 1238 O SER A 76 5.405 -0.767 -13.906 1.00 0.00 O ATOM 1239 CB SER A 76 4.555 2.102 -12.453 1.00 0.00 C ATOM 1240 OG SER A 76 3.403 2.549 -11.758 1.00 0.00 O ATOM 0 H SER A 76 6.235 1.432 -10.592 1.00 0.00 H new ATOM 0 HA SER A 76 4.017 0.076 -11.977 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.390 2.771 -12.247 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.373 2.140 -13.527 1.00 0.00 H new ATOM 0 HG SER A 76 3.188 3.464 -12.036 1.00 0.00 H new ATOM 1246 N LYS A 77 7.106 0.452 -13.081 1.00 0.00 N ATOM 1247 CA LYS A 77 8.083 -0.065 -14.031 1.00 0.00 C ATOM 1248 C LYS A 77 9.498 0.336 -13.628 1.00 0.00 C ATOM 1249 O LYS A 77 9.885 1.499 -13.754 1.00 0.00 O ATOM 1250 CB LYS A 77 7.777 0.450 -15.440 1.00 0.00 C ATOM 1251 CG LYS A 77 8.574 -0.247 -16.528 1.00 0.00 C ATOM 1252 CD LYS A 77 7.957 -1.585 -16.902 1.00 0.00 C ATOM 1253 CE LYS A 77 8.868 -2.381 -17.824 1.00 0.00 C ATOM 1254 NZ LYS A 77 8.301 -3.721 -18.141 1.00 0.00 N ATOM 0 H LYS A 77 7.481 1.132 -12.420 1.00 0.00 H new ATOM 0 HA LYS A 77 8.017 -1.153 -14.026 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.713 0.322 -15.642 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.982 1.520 -15.479 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.623 0.391 -17.410 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.598 -0.400 -16.188 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.759 -2.161 -15.998 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.997 -1.420 -17.391 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.025 -1.825 -18.748 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.844 -2.501 -17.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.951 -4.233 -18.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.175 -4.261 -17.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.381 -3.606 -18.612 1.00 0.00 H new ATOM 1268 N LYS A 78 10.269 -0.632 -13.145 1.00 0.00 N ATOM 1269 CA LYS A 78 11.643 -0.381 -12.728 1.00 0.00 C ATOM 1270 C LYS A 78 12.551 -0.172 -13.936 1.00 0.00 C ATOM 1271 O LYS A 78 12.323 -0.745 -15.002 1.00 0.00 O ATOM 1272 CB LYS A 78 12.162 -1.548 -11.883 1.00 0.00 C ATOM 1273 CG LYS A 78 12.300 -2.847 -12.659 1.00 0.00 C ATOM 1274 CD LYS A 78 12.183 -4.056 -11.746 1.00 0.00 C ATOM 1275 CE LYS A 78 10.737 -4.502 -11.593 1.00 0.00 C ATOM 1276 NZ LYS A 78 10.624 -5.745 -10.781 1.00 0.00 N ATOM 0 H LYS A 78 9.965 -1.599 -13.033 1.00 0.00 H new ATOM 0 HA LYS A 78 11.653 0.529 -12.128 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.132 -1.280 -11.465 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.486 -1.706 -11.043 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.530 -2.896 -13.429 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.263 -2.867 -13.169 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.777 -4.876 -12.149 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.596 -3.815 -10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.159 -3.707 -11.122 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.303 -4.671 -12.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.623 -6.017 -10.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.154 -6.511 -11.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.015 -5.577 -9.832 1.00 0.00 H new ATOM 1290 N LEU A 79 13.579 0.651 -13.762 1.00 0.00 N ATOM 1291 CA LEU A 79 14.521 0.934 -14.839 1.00 0.00 C ATOM 1292 C LEU A 79 15.917 0.433 -14.486 1.00 0.00 C ATOM 1293 O LEU A 79 16.663 1.096 -13.764 1.00 0.00 O ATOM 1294 CB LEU A 79 14.564 2.437 -15.123 1.00 0.00 C ATOM 1295 CG LEU A 79 15.541 2.887 -16.210 1.00 0.00 C ATOM 1296 CD1 LEU A 79 14.972 2.602 -17.591 1.00 0.00 C ATOM 1297 CD2 LEU A 79 15.863 4.366 -16.058 1.00 0.00 C ATOM 0 H LEU A 79 13.781 1.134 -12.886 1.00 0.00 H new ATOM 0 HA LEU A 79 14.182 0.410 -15.733 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.563 2.762 -15.405 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.818 2.954 -14.198 1.00 0.00 H new ATOM 0 HG LEU A 79 16.466 2.321 -16.098 1.00 0.00 H new ATOM 0 HD11 LEU A 79 15.681 2.929 -18.351 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.794 1.532 -17.697 1.00 0.00 H new ATOM 0 HD13 LEU A 79 14.033 3.140 -17.716 1.00 0.00 H new ATOM 0 HD21 LEU A 79 16.560 4.669 -16.840 1.00 0.00 H new ATOM 0 HD22 LEU A 79 14.946 4.949 -16.143 1.00 0.00 H new ATOM 0 HD23 LEU A 79 16.315 4.542 -15.082 1.00 0.00 H new ATOM 1309 N ARG A 80 16.266 -0.742 -15.001 1.00 0.00 N ATOM 1310 CA ARG A 80 17.574 -1.333 -14.741 1.00 0.00 C ATOM 1311 C ARG A 80 18.002 -2.236 -15.894 1.00 0.00 C ATOM 1312 O ARG A 80 17.165 -2.842 -16.563 1.00 0.00 O ATOM 1313 CB ARG A 80 17.546 -2.131 -13.436 1.00 0.00 C ATOM 1314 CG ARG A 80 18.922 -2.572 -12.962 1.00 0.00 C ATOM 1315 CD ARG A 80 18.967 -2.728 -11.450 1.00 0.00 C ATOM 1316 NE ARG A 80 20.297 -3.101 -10.978 1.00 0.00 N ATOM 1317 CZ ARG A 80 20.648 -3.099 -9.696 1.00 0.00 C ATOM 1318 NH1 ARG A 80 19.773 -2.748 -8.766 1.00 0.00 N ATOM 1319 NH2 ARG A 80 21.878 -3.451 -9.345 1.00 0.00 N ATOM 0 H ARG A 80 15.661 -1.303 -15.601 1.00 0.00 H new ATOM 0 HA ARG A 80 18.299 -0.524 -14.649 1.00 0.00 H new ATOM 0 HB2 ARG A 80 17.080 -1.525 -12.659 1.00 0.00 H new ATOM 0 HB3 ARG A 80 16.918 -3.012 -13.572 1.00 0.00 H new ATOM 0 HG2 ARG A 80 19.185 -3.519 -13.434 1.00 0.00 H new ATOM 0 HG3 ARG A 80 19.668 -1.841 -13.276 1.00 0.00 H new ATOM 0 HD2 ARG A 80 18.665 -1.792 -10.980 1.00 0.00 H new ATOM 0 HD3 ARG A 80 18.247 -3.486 -11.142 1.00 0.00 H new ATOM 0 HE ARG A 80 20.994 -3.378 -11.669 1.00 0.00 H new ATOM 0 HH11 ARG A 80 18.826 -2.478 -9.033 1.00 0.00 H new ATOM 0 HH12 ARG A 80 20.046 -2.748 -7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 80 22.554 -3.723 -10.059 1.00 0.00 H new ATOM 0 HH22 ARG A 80 22.148 -3.450 -8.361 1.00 0.00 H new ATOM 1333 N SER A 81 19.309 -2.320 -16.120 1.00 0.00 N ATOM 1334 CA SER A 81 19.847 -3.146 -17.194 1.00 0.00 C ATOM 1335 C SER A 81 21.150 -3.814 -16.764 1.00 0.00 C ATOM 1336 O SER A 81 21.889 -3.283 -15.936 1.00 0.00 O ATOM 1337 CB SER A 81 20.083 -2.300 -18.447 1.00 0.00 C ATOM 1338 OG SER A 81 21.258 -1.518 -18.321 1.00 0.00 O ATOM 0 H SER A 81 20.015 -1.826 -15.574 1.00 0.00 H new ATOM 0 HA SER A 81 19.118 -3.924 -17.422 1.00 0.00 H new ATOM 0 HB2 SER A 81 20.167 -2.950 -19.318 1.00 0.00 H new ATOM 0 HB3 SER A 81 19.226 -1.649 -18.617 1.00 0.00 H new ATOM 0 HG SER A 81 21.387 -0.988 -19.135 1.00 0.00 H new ATOM 1344 N SER A 82 21.424 -4.983 -17.336 1.00 0.00 N ATOM 1345 CA SER A 82 22.635 -5.727 -17.011 1.00 0.00 C ATOM 1346 C SER A 82 23.556 -5.823 -18.224 1.00 0.00 C ATOM 1347 O SER A 82 23.097 -5.843 -19.366 1.00 0.00 O ATOM 1348 CB SER A 82 22.280 -7.129 -16.514 1.00 0.00 C ATOM 1349 OG SER A 82 21.375 -7.070 -15.424 1.00 0.00 O ATOM 0 H SER A 82 20.824 -5.434 -18.026 1.00 0.00 H new ATOM 0 HA SER A 82 23.159 -5.191 -16.220 1.00 0.00 H new ATOM 0 HB2 SER A 82 21.838 -7.705 -17.327 1.00 0.00 H new ATOM 0 HB3 SER A 82 23.187 -7.651 -16.210 1.00 0.00 H new ATOM 0 HG SER A 82 21.162 -7.979 -15.126 1.00 0.00 H new ATOM 1355 N GLY A 83 24.859 -5.882 -17.967 1.00 0.00 N ATOM 1356 CA GLY A 83 25.825 -5.975 -19.046 1.00 0.00 C ATOM 1357 C GLY A 83 26.837 -4.847 -19.018 1.00 0.00 C ATOM 1358 O GLY A 83 26.714 -3.856 -19.737 1.00 0.00 O ATOM 0 H GLY A 83 25.263 -5.867 -17.031 1.00 0.00 H new ATOM 0 HA2 GLY A 83 26.348 -6.929 -18.980 1.00 0.00 H new ATOM 0 HA3 GLY A 83 25.300 -5.964 -20.001 1.00 0.00 H new ATOM 1362 N PRO A 84 27.864 -4.990 -18.168 1.00 0.00 N ATOM 1363 CA PRO A 84 28.922 -3.985 -18.027 1.00 0.00 C ATOM 1364 C PRO A 84 29.821 -3.913 -19.257 1.00 0.00 C ATOM 1365 O PRO A 84 30.632 -4.806 -19.497 1.00 0.00 O ATOM 1366 CB PRO A 84 29.716 -4.472 -16.812 1.00 0.00 C ATOM 1367 CG PRO A 84 29.472 -5.941 -16.766 1.00 0.00 C ATOM 1368 CD PRO A 84 28.075 -6.146 -17.280 1.00 0.00 C ATOM 0 HA PRO A 84 28.516 -2.980 -17.912 1.00 0.00 H new ATOM 0 HB2 PRO A 84 30.778 -4.250 -16.918 1.00 0.00 H new ATOM 0 HB3 PRO A 84 29.378 -3.985 -15.897 1.00 0.00 H new ATOM 0 HG2 PRO A 84 30.196 -6.476 -17.380 1.00 0.00 H new ATOM 0 HG3 PRO A 84 29.573 -6.322 -15.750 1.00 0.00 H new ATOM 0 HD2 PRO A 84 27.979 -7.089 -17.819 1.00 0.00 H new ATOM 0 HD3 PRO A 84 27.348 -6.167 -16.469 1.00 0.00 H new ATOM 1376 N SER A 85 29.670 -2.843 -20.032 1.00 0.00 N ATOM 1377 CA SER A 85 30.466 -2.656 -21.239 1.00 0.00 C ATOM 1378 C SER A 85 31.335 -1.407 -21.129 1.00 0.00 C ATOM 1379 O SER A 85 30.832 -0.304 -20.917 1.00 0.00 O ATOM 1380 CB SER A 85 29.557 -2.551 -22.464 1.00 0.00 C ATOM 1381 OG SER A 85 28.719 -1.412 -22.382 1.00 0.00 O ATOM 0 H SER A 85 29.004 -2.093 -19.845 1.00 0.00 H new ATOM 0 HA SER A 85 31.118 -3.522 -21.352 1.00 0.00 H new ATOM 0 HB2 SER A 85 30.164 -2.495 -23.367 1.00 0.00 H new ATOM 0 HB3 SER A 85 28.946 -3.450 -22.546 1.00 0.00 H new ATOM 0 HG SER A 85 29.201 -0.682 -21.940 1.00 0.00 H new ATOM 1387 N SER A 86 32.644 -1.590 -21.271 1.00 0.00 N ATOM 1388 CA SER A 86 33.585 -0.479 -21.184 1.00 0.00 C ATOM 1389 C SER A 86 34.741 -0.668 -22.162 1.00 0.00 C ATOM 1390 O SER A 86 35.306 -1.755 -22.271 1.00 0.00 O ATOM 1391 CB SER A 86 34.126 -0.352 -19.759 1.00 0.00 C ATOM 1392 OG SER A 86 33.068 -0.284 -18.816 1.00 0.00 O ATOM 0 H SER A 86 33.077 -2.497 -21.447 1.00 0.00 H new ATOM 0 HA SER A 86 33.054 0.436 -21.447 1.00 0.00 H new ATOM 0 HB2 SER A 86 34.766 -1.205 -19.532 1.00 0.00 H new ATOM 0 HB3 SER A 86 34.746 0.541 -19.680 1.00 0.00 H new ATOM 0 HG SER A 86 33.440 -0.205 -17.913 1.00 0.00 H new ATOM 1398 N GLY A 87 35.087 0.401 -22.873 1.00 0.00 N ATOM 1399 CA GLY A 87 36.172 0.334 -23.834 1.00 0.00 C ATOM 1400 C GLY A 87 37.341 1.219 -23.451 1.00 0.00 C ATOM 1401 O GLY A 87 37.158 2.263 -22.823 1.00 0.00 O ATOM 0 H GLY A 87 34.635 1.312 -22.800 1.00 0.00 H new ATOM 0 HA2 GLY A 87 36.514 -0.697 -23.920 1.00 0.00 H new ATOM 0 HA3 GLY A 87 35.802 0.630 -24.816 1.00 0.00 H new TER 1405 GLY A 87