USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=23 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 66 LYS NZ :NH3+ 177:sc= 2.14 (180deg=1.2) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0.59 USER MOD Set 2.1: A 23 THR OG1 : rot -160:sc= -1.38! USER MOD Set 2.2: A 31 MET CE :methyl -154:sc= 0 (180deg=-0.502) USER MOD Single : A 0 THR OG1 : rot -110:sc= -0.662 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.682 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.0976 (180deg=-0.449) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 165:sc= -0.62 (180deg=-1.22) USER MOD Single : A 18 GLN : amide:sc= -2.47! K(o=-2.5!,f=-0.021) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 24 MET CE :methyl -168:sc= -0.171 (180deg=-0.577) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot -23:sc= -1.12 USER MOD Single : A 45 ASN : amide:sc= -0.0573 X(o=-0.057,f=-0.057) USER MOD Single : A 52 SER OG : rot -92:sc= -0.302! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= -0.0373 (180deg=-0.174) USER MOD Single : A 71 TYR OH : rot 100:sc= 0.936 USER MOD Single : A 72 MET CE :methyl -162:sc= -0.214 (180deg=-0.779) USER MOD Single : A 75 ASN : amide:sc= -3.48! C(o=-3.5!,f=-8.9!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -156:sc= -2.52! (180deg=-4.67!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -159:sc= 1.1 (180deg=0.26) USER MOD Single : A 84 LYS NZ :NH3+ -153:sc= -1.05 (180deg=-2.38!) USER MOD Single : A 85 GLN : amide:sc= -0.176 K(o=-0.18,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 14.124 9.737 0.137 1.00 1.00 N ATOM 2 CA GLY A -5 15.215 9.411 -0.811 1.00 1.00 C ATOM 3 C GLY A -5 14.800 8.337 -1.791 1.00 1.00 C ATOM 4 O GLY A -5 14.069 8.601 -2.743 1.00 1.00 O ATOM 0 H1 GLY A -5 14.444 10.477 0.794 1.00 1.00 H new ATOM 0 H2 GLY A -5 13.295 10.078 -0.391 1.00 1.00 H new ATOM 0 H3 GLY A -5 13.865 8.885 0.675 1.00 1.00 H new ATOM 0 HA2 GLY A -5 15.504 10.309 -1.356 1.00 1.00 H new ATOM 0 HA3 GLY A -5 16.092 9.078 -0.256 1.00 1.00 H new ATOM 10 N ILE A -4 15.249 7.118 -1.549 1.00 1.00 N ATOM 11 CA ILE A -4 14.875 5.987 -2.382 1.00 1.00 C ATOM 12 C ILE A -4 13.929 5.073 -1.605 1.00 1.00 C ATOM 13 O ILE A -4 13.970 5.040 -0.371 1.00 1.00 O ATOM 14 CB ILE A -4 16.126 5.200 -2.858 1.00 1.00 C ATOM 15 CG1 ILE A -4 15.740 4.080 -3.830 1.00 1.00 C ATOM 16 CG2 ILE A -4 16.895 4.635 -1.672 1.00 1.00 C ATOM 17 CD1 ILE A -4 15.114 4.577 -5.115 1.00 1.00 C ATOM 0 H ILE A -4 15.876 6.885 -0.779 1.00 1.00 H new ATOM 0 HA ILE A -4 14.366 6.362 -3.270 1.00 1.00 H new ATOM 0 HB ILE A -4 16.774 5.898 -3.388 1.00 1.00 H new ATOM 0 HG12 ILE A -4 16.630 3.498 -4.071 1.00 1.00 H new ATOM 0 HG13 ILE A -4 15.042 3.405 -3.334 1.00 1.00 H new ATOM 0 HG21 ILE A -4 17.767 4.088 -2.031 1.00 1.00 H new ATOM 0 HG22 ILE A -4 17.219 5.451 -1.026 1.00 1.00 H new ATOM 0 HG23 ILE A -4 16.250 3.961 -1.108 1.00 1.00 H new ATOM 0 HD11 ILE A -4 14.868 3.728 -5.752 1.00 1.00 H new ATOM 0 HD12 ILE A -4 14.206 5.134 -4.886 1.00 1.00 H new ATOM 0 HD13 ILE A -4 15.817 5.228 -5.634 1.00 1.00 H new ATOM 29 N ASP A -3 13.052 4.374 -2.321 1.00 1.00 N ATOM 30 CA ASP A -3 12.107 3.448 -1.700 1.00 1.00 C ATOM 31 C ASP A -3 12.843 2.431 -0.838 1.00 1.00 C ATOM 32 O ASP A -3 13.949 2.011 -1.184 1.00 1.00 O ATOM 33 CB ASP A -3 11.282 2.722 -2.768 1.00 1.00 C ATOM 34 CG ASP A -3 10.397 3.659 -3.560 1.00 1.00 C ATOM 35 OD1 ASP A -3 9.255 3.916 -3.125 1.00 1.00 O ATOM 36 OD2 ASP A -3 10.840 4.146 -4.621 1.00 1.00 O ATOM 0 H ASP A -3 12.976 4.431 -3.337 1.00 1.00 H new ATOM 0 HA ASP A -3 11.434 4.026 -1.067 1.00 1.00 H new ATOM 0 HB2 ASP A -3 11.955 2.202 -3.450 1.00 1.00 H new ATOM 0 HB3 ASP A -3 10.664 1.963 -2.289 1.00 1.00 H new ATOM 41 N PRO A -2 12.249 2.053 0.311 1.00 1.00 N ATOM 42 CA PRO A -2 12.833 1.081 1.243 1.00 1.00 C ATOM 43 C PRO A -2 13.376 -0.163 0.545 1.00 1.00 C ATOM 44 O PRO A -2 12.619 -1.028 0.097 1.00 1.00 O ATOM 45 CB PRO A -2 11.659 0.718 2.149 1.00 1.00 C ATOM 46 CG PRO A -2 10.814 1.943 2.165 1.00 1.00 C ATOM 47 CD PRO A -2 10.953 2.562 0.799 1.00 1.00 C ATOM 0 HA PRO A -2 13.692 1.495 1.771 1.00 1.00 H new ATOM 0 HB2 PRO A -2 11.109 -0.140 1.762 1.00 1.00 H new ATOM 0 HB3 PRO A -2 11.997 0.455 3.151 1.00 1.00 H new ATOM 0 HG2 PRO A -2 9.774 1.696 2.377 1.00 1.00 H new ATOM 0 HG3 PRO A -2 11.143 2.634 2.941 1.00 1.00 H new ATOM 0 HD2 PRO A -2 10.135 2.268 0.142 1.00 1.00 H new ATOM 0 HD3 PRO A -2 10.945 3.651 0.851 1.00 1.00 H new ATOM 55 N PHE A -1 14.695 -0.237 0.436 1.00 1.00 N ATOM 56 CA PHE A -1 15.335 -1.362 -0.216 1.00 1.00 C ATOM 57 C PHE A -1 15.823 -2.357 0.823 1.00 1.00 C ATOM 58 O PHE A -1 16.987 -2.345 1.230 1.00 1.00 O ATOM 59 CB PHE A -1 16.493 -0.892 -1.106 1.00 1.00 C ATOM 60 CG PHE A -1 17.015 -1.959 -2.028 1.00 1.00 C ATOM 61 CD1 PHE A -1 16.292 -2.336 -3.148 1.00 1.00 C ATOM 62 CD2 PHE A -1 18.227 -2.584 -1.778 1.00 1.00 C ATOM 63 CE1 PHE A -1 16.763 -3.316 -3.998 1.00 1.00 C ATOM 64 CE2 PHE A -1 18.703 -3.566 -2.625 1.00 1.00 C ATOM 65 CZ PHE A -1 17.971 -3.933 -3.736 1.00 1.00 C ATOM 0 H PHE A -1 15.339 0.470 0.791 1.00 1.00 H new ATOM 0 HA PHE A -1 14.603 -1.856 -0.855 1.00 1.00 H new ATOM 0 HB2 PHE A -1 16.161 -0.041 -1.700 1.00 1.00 H new ATOM 0 HB3 PHE A -1 17.307 -0.541 -0.473 1.00 1.00 H new ATOM 0 HD1 PHE A -1 15.347 -1.857 -3.359 1.00 1.00 H new ATOM 0 HD2 PHE A -1 18.805 -2.300 -0.911 1.00 1.00 H new ATOM 0 HE1 PHE A -1 16.188 -3.600 -4.867 1.00 1.00 H new ATOM 0 HE2 PHE A -1 19.648 -4.046 -2.418 1.00 1.00 H new ATOM 0 HZ PHE A -1 18.342 -4.701 -4.399 1.00 1.00 H new ATOM 75 N THR A 0 14.903 -3.176 1.291 1.00 1.00 N ATOM 76 CA THR A 0 15.222 -4.235 2.226 1.00 1.00 C ATOM 77 C THR A 0 15.625 -5.486 1.452 1.00 1.00 C ATOM 78 O THR A 0 15.264 -5.632 0.284 1.00 1.00 O ATOM 79 CB THR A 0 13.998 -4.543 3.108 1.00 1.00 C ATOM 80 OG1 THR A 0 13.320 -3.323 3.423 1.00 1.00 O ATOM 81 CG2 THR A 0 14.405 -5.243 4.395 1.00 1.00 C ATOM 0 H THR A 0 13.917 -3.127 1.035 1.00 1.00 H new ATOM 0 HA THR A 0 16.047 -3.917 2.864 1.00 1.00 H new ATOM 0 HB THR A 0 13.337 -5.208 2.553 1.00 1.00 H new ATOM 0 HG1 THR A 0 13.440 -3.118 4.374 1.00 1.00 H new ATOM 0 HG21 THR A 0 13.518 -5.446 4.995 1.00 1.00 H new ATOM 0 HG22 THR A 0 14.904 -6.182 4.156 1.00 1.00 H new ATOM 0 HG23 THR A 0 15.085 -4.603 4.958 1.00 1.00 H new ATOM 89 N MET A 1 16.362 -6.386 2.089 1.00 1.00 N ATOM 90 CA MET A 1 16.763 -7.634 1.443 1.00 1.00 C ATOM 91 C MET A 1 15.562 -8.555 1.277 1.00 1.00 C ATOM 92 O MET A 1 15.649 -9.629 0.683 1.00 1.00 O ATOM 93 CB MET A 1 17.869 -8.335 2.239 1.00 1.00 C ATOM 94 CG MET A 1 19.189 -7.571 2.284 1.00 1.00 C ATOM 95 SD MET A 1 19.073 -5.997 3.165 1.00 1.00 S ATOM 96 CE MET A 1 20.786 -5.477 3.170 1.00 1.00 C ATOM 0 H MET A 1 16.694 -6.279 3.047 1.00 1.00 H new ATOM 0 HA MET A 1 17.158 -7.393 0.456 1.00 1.00 H new ATOM 0 HB2 MET A 1 17.520 -8.496 3.259 1.00 1.00 H new ATOM 0 HB3 MET A 1 18.046 -9.319 1.804 1.00 1.00 H new ATOM 0 HG2 MET A 1 19.945 -8.193 2.763 1.00 1.00 H new ATOM 0 HG3 MET A 1 19.528 -7.385 1.265 1.00 1.00 H new ATOM 0 HE1 MET A 1 20.874 -4.518 3.681 1.00 1.00 H new ATOM 0 HE2 MET A 1 21.391 -6.221 3.689 1.00 1.00 H new ATOM 0 HE3 MET A 1 21.138 -5.375 2.144 1.00 1.00 H new ATOM 106 N VAL A 2 14.443 -8.107 1.811 1.00 1.00 N ATOM 107 CA VAL A 2 13.172 -8.795 1.680 1.00 1.00 C ATOM 108 C VAL A 2 12.059 -7.749 1.570 1.00 1.00 C ATOM 109 O VAL A 2 10.990 -7.851 2.169 1.00 1.00 O ATOM 110 CB VAL A 2 12.940 -9.769 2.867 1.00 1.00 C ATOM 111 CG1 VAL A 2 12.822 -9.022 4.191 1.00 1.00 C ATOM 112 CG2 VAL A 2 11.724 -10.657 2.623 1.00 1.00 C ATOM 0 H VAL A 2 14.389 -7.245 2.354 1.00 1.00 H new ATOM 0 HA VAL A 2 13.172 -9.406 0.777 1.00 1.00 H new ATOM 0 HB VAL A 2 13.815 -10.415 2.935 1.00 1.00 H new ATOM 0 HG11 VAL A 2 12.660 -9.736 4.998 1.00 1.00 H new ATOM 0 HG12 VAL A 2 13.740 -8.465 4.378 1.00 1.00 H new ATOM 0 HG13 VAL A 2 11.981 -8.330 4.145 1.00 1.00 H new ATOM 0 HG21 VAL A 2 11.587 -11.328 3.471 1.00 1.00 H new ATOM 0 HG22 VAL A 2 10.837 -10.035 2.506 1.00 1.00 H new ATOM 0 HG23 VAL A 2 11.878 -11.244 1.717 1.00 1.00 H new ATOM 122 N ALA A 3 12.341 -6.735 0.767 1.00 1.00 N ATOM 123 CA ALA A 3 11.419 -5.622 0.575 1.00 1.00 C ATOM 124 C ALA A 3 10.243 -6.040 -0.293 1.00 1.00 C ATOM 125 O ALA A 3 10.401 -6.820 -1.232 1.00 1.00 O ATOM 126 CB ALA A 3 12.133 -4.436 -0.051 1.00 1.00 C ATOM 0 H ALA A 3 13.207 -6.658 0.233 1.00 1.00 H new ATOM 0 HA ALA A 3 11.041 -5.326 1.554 1.00 1.00 H new ATOM 0 HB1 ALA A 3 11.427 -3.616 -0.186 1.00 1.00 H new ATOM 0 HB2 ALA A 3 12.944 -4.113 0.602 1.00 1.00 H new ATOM 0 HB3 ALA A 3 12.541 -4.726 -1.019 1.00 1.00 H new ATOM 132 N LEU A 4 9.076 -5.503 0.018 1.00 1.00 N ATOM 133 CA LEU A 4 7.858 -5.851 -0.692 1.00 1.00 C ATOM 134 C LEU A 4 7.536 -4.794 -1.742 1.00 1.00 C ATOM 135 O LEU A 4 7.201 -3.659 -1.412 1.00 1.00 O ATOM 136 CB LEU A 4 6.694 -5.995 0.292 1.00 1.00 C ATOM 137 CG LEU A 4 6.923 -6.990 1.432 1.00 1.00 C ATOM 138 CD1 LEU A 4 5.705 -7.047 2.336 1.00 1.00 C ATOM 139 CD2 LEU A 4 7.241 -8.374 0.889 1.00 1.00 C ATOM 0 H LEU A 4 8.946 -4.819 0.764 1.00 1.00 H new ATOM 0 HA LEU A 4 8.009 -6.806 -1.196 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.480 -5.017 0.723 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.806 -6.300 -0.262 1.00 1.00 H new ATOM 0 HG LEU A 4 7.778 -6.647 2.015 1.00 1.00 H new ATOM 0 HD11 LEU A 4 5.883 -7.759 3.142 1.00 1.00 H new ATOM 0 HD12 LEU A 4 5.519 -6.060 2.759 1.00 1.00 H new ATOM 0 HD13 LEU A 4 4.837 -7.363 1.758 1.00 1.00 H new ATOM 0 HD21 LEU A 4 7.400 -9.063 1.719 1.00 1.00 H new ATOM 0 HD22 LEU A 4 6.409 -8.726 0.279 1.00 1.00 H new ATOM 0 HD23 LEU A 4 8.143 -8.327 0.279 1.00 1.00 H new ATOM 151 N SER A 5 7.659 -5.166 -3.003 1.00 1.00 N ATOM 152 CA SER A 5 7.385 -4.252 -4.104 1.00 1.00 C ATOM 153 C SER A 5 5.946 -4.413 -4.589 1.00 1.00 C ATOM 154 O SER A 5 5.621 -5.384 -5.265 1.00 1.00 O ATOM 155 CB SER A 5 8.356 -4.530 -5.248 1.00 1.00 C ATOM 156 OG SER A 5 9.700 -4.480 -4.794 1.00 1.00 O ATOM 0 H SER A 5 7.948 -6.100 -3.294 1.00 1.00 H new ATOM 0 HA SER A 5 7.517 -3.228 -3.755 1.00 1.00 H new ATOM 0 HB2 SER A 5 8.149 -5.511 -5.676 1.00 1.00 H new ATOM 0 HB3 SER A 5 8.208 -3.798 -6.042 1.00 1.00 H new ATOM 0 HG SER A 5 10.305 -4.663 -5.543 1.00 1.00 H new ATOM 162 N LEU A 6 5.082 -3.471 -4.242 1.00 1.00 N ATOM 163 CA LEU A 6 3.676 -3.579 -4.605 1.00 1.00 C ATOM 164 C LEU A 6 3.269 -2.522 -5.621 1.00 1.00 C ATOM 165 O LEU A 6 3.927 -1.489 -5.773 1.00 1.00 O ATOM 166 CB LEU A 6 2.765 -3.475 -3.376 1.00 1.00 C ATOM 167 CG LEU A 6 2.669 -4.730 -2.501 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.931 -4.921 -1.679 1.00 1.00 C ATOM 169 CD2 LEU A 6 1.455 -4.644 -1.595 1.00 1.00 C ATOM 0 H LEU A 6 5.325 -2.632 -3.715 1.00 1.00 H new ATOM 0 HA LEU A 6 3.554 -4.564 -5.056 1.00 1.00 H new ATOM 0 HB2 LEU A 6 3.117 -2.651 -2.756 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.762 -3.214 -3.713 1.00 1.00 H new ATOM 0 HG LEU A 6 2.561 -5.595 -3.156 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.835 -5.819 -1.068 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.787 -5.026 -2.346 1.00 1.00 H new ATOM 0 HD13 LEU A 6 4.078 -4.056 -1.032 1.00 1.00 H new ATOM 0 HD21 LEU A 6 1.397 -5.541 -0.978 1.00 1.00 H new ATOM 0 HD22 LEU A 6 1.541 -3.767 -0.953 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.553 -4.562 -2.202 1.00 1.00 H new ATOM 181 N LYS A 7 2.176 -2.804 -6.311 1.00 1.00 N ATOM 182 CA LYS A 7 1.584 -1.878 -7.259 1.00 1.00 C ATOM 183 C LYS A 7 0.464 -1.111 -6.577 1.00 1.00 C ATOM 184 O LYS A 7 -0.579 -1.680 -6.260 1.00 1.00 O ATOM 185 CB LYS A 7 1.019 -2.635 -8.463 1.00 1.00 C ATOM 186 CG LYS A 7 2.037 -3.493 -9.192 1.00 1.00 C ATOM 187 CD LYS A 7 3.095 -2.649 -9.878 1.00 1.00 C ATOM 188 CE LYS A 7 4.067 -3.510 -10.665 1.00 1.00 C ATOM 189 NZ LYS A 7 3.373 -4.348 -11.681 1.00 1.00 N ATOM 0 H LYS A 7 1.673 -3.687 -6.228 1.00 1.00 H new ATOM 0 HA LYS A 7 2.353 -1.187 -7.606 1.00 1.00 H new ATOM 0 HB2 LYS A 7 0.199 -3.270 -8.127 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.597 -1.916 -9.165 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.515 -4.171 -8.485 1.00 1.00 H new ATOM 0 HG3 LYS A 7 1.529 -4.111 -9.932 1.00 1.00 H new ATOM 0 HD2 LYS A 7 2.615 -1.935 -10.547 1.00 1.00 H new ATOM 0 HD3 LYS A 7 3.641 -2.070 -9.133 1.00 1.00 H new ATOM 0 HE2 LYS A 7 4.798 -2.871 -11.160 1.00 1.00 H new ATOM 0 HE3 LYS A 7 4.618 -4.154 -9.979 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 4.067 -4.708 -12.367 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 2.905 -5.148 -11.210 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 2.661 -3.774 -12.177 1.00 1.00 H new ATOM 203 N ILE A 8 0.683 0.165 -6.333 1.00 1.00 N ATOM 204 CA ILE A 8 -0.304 0.982 -5.653 1.00 1.00 C ATOM 205 C ILE A 8 -1.111 1.788 -6.659 1.00 1.00 C ATOM 206 O ILE A 8 -0.600 2.713 -7.289 1.00 1.00 O ATOM 207 CB ILE A 8 0.342 1.939 -4.632 1.00 1.00 C ATOM 208 CG1 ILE A 8 1.260 1.168 -3.674 1.00 1.00 C ATOM 209 CG2 ILE A 8 -0.741 2.678 -3.856 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.553 0.090 -2.879 1.00 1.00 C ATOM 0 H ILE A 8 1.536 0.660 -6.595 1.00 1.00 H new ATOM 0 HA ILE A 8 -0.962 0.302 -5.112 1.00 1.00 H new ATOM 0 HB ILE A 8 0.949 2.667 -5.170 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.067 0.712 -4.248 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.720 1.873 -2.982 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.277 3.352 -3.136 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.356 3.253 -4.548 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.366 1.958 -3.328 1.00 1.00 H new ATOM 0 HD11 ILE A 8 1.269 -0.409 -2.226 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.236 0.540 -2.276 1.00 1.00 H new ATOM 0 HD13 ILE A 8 0.116 -0.638 -3.562 1.00 1.00 H new ATOM 222 N SER A 9 -2.371 1.428 -6.813 1.00 1.00 N ATOM 223 CA SER A 9 -3.246 2.113 -7.740 1.00 1.00 C ATOM 224 C SER A 9 -4.038 3.196 -7.020 1.00 1.00 C ATOM 225 O SER A 9 -5.015 2.910 -6.328 1.00 1.00 O ATOM 226 CB SER A 9 -4.195 1.114 -8.410 1.00 1.00 C ATOM 227 OG SER A 9 -5.026 1.751 -9.368 1.00 1.00 O ATOM 0 H SER A 9 -2.811 0.661 -6.305 1.00 1.00 H new ATOM 0 HA SER A 9 -2.636 2.585 -8.511 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.615 0.328 -8.894 1.00 1.00 H new ATOM 0 HB3 SER A 9 -4.813 0.633 -7.652 1.00 1.00 H new ATOM 0 HG SER A 9 -5.619 1.088 -9.779 1.00 1.00 H new ATOM 233 N ILE A 10 -3.602 4.435 -7.175 1.00 1.00 N ATOM 234 CA ILE A 10 -4.305 5.570 -6.606 1.00 1.00 C ATOM 235 C ILE A 10 -5.404 6.006 -7.562 1.00 1.00 C ATOM 236 O ILE A 10 -5.160 6.782 -8.491 1.00 1.00 O ATOM 237 CB ILE A 10 -3.352 6.759 -6.350 1.00 1.00 C ATOM 238 CG1 ILE A 10 -2.197 6.339 -5.440 1.00 1.00 C ATOM 239 CG2 ILE A 10 -4.111 7.929 -5.732 1.00 1.00 C ATOM 240 CD1 ILE A 10 -1.021 7.284 -5.491 1.00 1.00 C ATOM 0 H ILE A 10 -2.759 4.680 -7.694 1.00 1.00 H new ATOM 0 HA ILE A 10 -4.728 5.263 -5.649 1.00 1.00 H new ATOM 0 HB ILE A 10 -2.940 7.077 -7.308 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -2.558 6.274 -4.413 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -1.864 5.341 -5.724 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -3.424 8.757 -5.559 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -4.901 8.249 -6.411 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -4.551 7.618 -4.784 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -0.238 6.927 -4.822 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -0.635 7.330 -6.509 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -1.339 8.278 -5.178 1.00 1.00 H new ATOM 252 N GLY A 11 -6.602 5.478 -7.350 1.00 1.00 N ATOM 253 CA GLY A 11 -7.714 5.774 -8.229 1.00 1.00 C ATOM 254 C GLY A 11 -7.515 5.213 -9.624 1.00 1.00 C ATOM 255 O GLY A 11 -7.927 4.089 -9.916 1.00 1.00 O ATOM 0 H GLY A 11 -6.823 4.847 -6.580 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -8.629 5.364 -7.803 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -7.847 6.854 -8.291 1.00 1.00 H new ATOM 259 N ASN A 12 -6.865 5.990 -10.480 1.00 1.00 N ATOM 260 CA ASN A 12 -6.641 5.597 -11.867 1.00 1.00 C ATOM 261 C ASN A 12 -5.152 5.534 -12.184 1.00 1.00 C ATOM 262 O ASN A 12 -4.765 5.234 -13.314 1.00 1.00 O ATOM 263 CB ASN A 12 -7.317 6.591 -12.817 1.00 1.00 C ATOM 264 CG ASN A 12 -8.832 6.544 -12.755 1.00 1.00 C ATOM 265 OD1 ASN A 12 -9.427 5.488 -12.542 1.00 1.00 O ATOM 266 ND2 ASN A 12 -9.465 7.690 -12.933 1.00 1.00 N ATOM 0 H ASN A 12 -6.481 6.903 -10.237 1.00 1.00 H new ATOM 0 HA ASN A 12 -7.073 4.606 -12.006 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -6.981 7.600 -12.576 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -6.995 6.384 -13.838 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -10.484 7.721 -12.896 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -8.935 8.544 -13.107 1.00 1.00 H new ATOM 273 N VAL A 13 -4.318 5.827 -11.195 1.00 1.00 N ATOM 274 CA VAL A 13 -2.878 5.899 -11.413 1.00 1.00 C ATOM 275 C VAL A 13 -2.149 4.812 -10.629 1.00 1.00 C ATOM 276 O VAL A 13 -2.195 4.785 -9.402 1.00 1.00 O ATOM 277 CB VAL A 13 -2.318 7.280 -11.008 1.00 1.00 C ATOM 278 CG1 VAL A 13 -0.836 7.377 -11.325 1.00 1.00 C ATOM 279 CG2 VAL A 13 -3.085 8.394 -11.700 1.00 1.00 C ATOM 0 H VAL A 13 -4.612 6.018 -10.237 1.00 1.00 H new ATOM 0 HA VAL A 13 -2.709 5.747 -12.479 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.444 7.393 -9.931 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -0.464 8.359 -11.031 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.295 6.605 -10.777 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -0.683 7.237 -12.395 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -2.675 9.359 -11.401 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.995 8.281 -12.780 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -4.136 8.343 -11.416 1.00 1.00 H new ATOM 289 N VAL A 14 -1.474 3.925 -11.344 1.00 1.00 N ATOM 290 CA VAL A 14 -0.747 2.832 -10.716 1.00 1.00 C ATOM 291 C VAL A 14 0.725 3.196 -10.535 1.00 1.00 C ATOM 292 O VAL A 14 1.427 3.495 -11.502 1.00 1.00 O ATOM 293 CB VAL A 14 -0.851 1.531 -11.542 1.00 1.00 C ATOM 294 CG1 VAL A 14 -0.165 0.378 -10.822 1.00 1.00 C ATOM 295 CG2 VAL A 14 -2.306 1.195 -11.833 1.00 1.00 C ATOM 0 H VAL A 14 -1.414 3.941 -12.362 1.00 1.00 H new ATOM 0 HA VAL A 14 -1.204 2.663 -9.741 1.00 1.00 H new ATOM 0 HB VAL A 14 -0.341 1.689 -12.492 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -0.251 -0.528 -11.422 1.00 1.00 H new ATOM 0 HG12 VAL A 14 0.888 0.617 -10.674 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.641 0.219 -9.854 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.358 0.275 -12.416 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -2.843 1.060 -10.894 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -2.761 2.008 -12.398 1.00 1.00 H new ATOM 305 N LYS A 15 1.177 3.181 -9.290 1.00 1.00 N ATOM 306 CA LYS A 15 2.565 3.478 -8.965 1.00 1.00 C ATOM 307 C LYS A 15 3.217 2.271 -8.300 1.00 1.00 C ATOM 308 O LYS A 15 2.576 1.553 -7.539 1.00 1.00 O ATOM 309 CB LYS A 15 2.648 4.686 -8.030 1.00 1.00 C ATOM 310 CG LYS A 15 2.107 5.972 -8.634 1.00 1.00 C ATOM 311 CD LYS A 15 2.988 6.478 -9.763 1.00 1.00 C ATOM 312 CE LYS A 15 2.432 7.757 -10.364 1.00 1.00 C ATOM 313 NZ LYS A 15 3.317 8.313 -11.419 1.00 1.00 N ATOM 0 H LYS A 15 0.596 2.964 -8.480 1.00 1.00 H new ATOM 0 HA LYS A 15 3.094 3.709 -9.890 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.095 4.465 -7.117 1.00 1.00 H new ATOM 0 HB3 LYS A 15 3.688 4.840 -7.744 1.00 1.00 H new ATOM 0 HG2 LYS A 15 1.098 5.801 -9.009 1.00 1.00 H new ATOM 0 HG3 LYS A 15 2.034 6.735 -7.859 1.00 1.00 H new ATOM 0 HD2 LYS A 15 3.996 6.657 -9.389 1.00 1.00 H new ATOM 0 HD3 LYS A 15 3.067 5.714 -10.537 1.00 1.00 H new ATOM 0 HE2 LYS A 15 1.447 7.560 -10.786 1.00 1.00 H new ATOM 0 HE3 LYS A 15 2.299 8.498 -9.576 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 2.897 9.185 -11.800 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 4.250 8.527 -11.012 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 3.424 7.617 -12.184 1.00 1.00 H new ATOM 327 N THR A 16 4.483 2.040 -8.593 1.00 1.00 N ATOM 328 CA THR A 16 5.204 0.928 -8.000 1.00 1.00 C ATOM 329 C THR A 16 6.145 1.431 -6.910 1.00 1.00 C ATOM 330 O THR A 16 6.975 2.307 -7.152 1.00 1.00 O ATOM 331 CB THR A 16 6.005 0.163 -9.068 1.00 1.00 C ATOM 332 OG1 THR A 16 5.159 -0.105 -10.195 1.00 1.00 O ATOM 333 CG2 THR A 16 6.543 -1.149 -8.511 1.00 1.00 C ATOM 0 H THR A 16 5.034 2.607 -9.238 1.00 1.00 H new ATOM 0 HA THR A 16 4.475 0.248 -7.559 1.00 1.00 H new ATOM 0 HB THR A 16 6.851 0.778 -9.374 1.00 1.00 H new ATOM 0 HG1 THR A 16 5.667 -0.591 -10.878 1.00 1.00 H new ATOM 0 HG21 THR A 16 7.105 -1.670 -9.286 1.00 1.00 H new ATOM 0 HG22 THR A 16 7.198 -0.943 -7.664 1.00 1.00 H new ATOM 0 HG23 THR A 16 5.712 -1.774 -8.184 1.00 1.00 H new ATOM 341 N MET A 17 5.995 0.897 -5.706 1.00 1.00 N ATOM 342 CA MET A 17 6.825 1.306 -4.582 1.00 1.00 C ATOM 343 C MET A 17 7.279 0.103 -3.775 1.00 1.00 C ATOM 344 O MET A 17 6.650 -0.959 -3.812 1.00 1.00 O ATOM 345 CB MET A 17 6.078 2.283 -3.671 1.00 1.00 C ATOM 346 CG MET A 17 5.964 3.688 -4.236 1.00 1.00 C ATOM 347 SD MET A 17 5.170 4.835 -3.093 1.00 1.00 S ATOM 348 CE MET A 17 6.222 4.663 -1.653 1.00 1.00 C ATOM 0 H MET A 17 5.306 0.179 -5.483 1.00 1.00 H new ATOM 0 HA MET A 17 7.701 1.808 -4.992 1.00 1.00 H new ATOM 0 HB2 MET A 17 5.077 1.896 -3.483 1.00 1.00 H new ATOM 0 HB3 MET A 17 6.588 2.329 -2.709 1.00 1.00 H new ATOM 0 HG2 MET A 17 6.959 4.058 -4.483 1.00 1.00 H new ATOM 0 HG3 MET A 17 5.396 3.656 -5.166 1.00 1.00 H new ATOM 0 HE1 MET A 17 6.033 5.486 -0.964 1.00 1.00 H new ATOM 0 HE2 MET A 17 6.007 3.717 -1.156 1.00 1.00 H new ATOM 0 HE3 MET A 17 7.267 4.681 -1.962 1.00 1.00 H new ATOM 358 N GLN A 18 8.371 0.272 -3.050 1.00 1.00 N ATOM 359 CA GLN A 18 8.897 -0.782 -2.202 1.00 1.00 C ATOM 360 C GLN A 18 8.586 -0.494 -0.742 1.00 1.00 C ATOM 361 O GLN A 18 8.869 0.592 -0.240 1.00 1.00 O ATOM 362 CB GLN A 18 10.407 -0.934 -2.397 1.00 1.00 C ATOM 363 CG GLN A 18 10.797 -1.497 -3.754 1.00 1.00 C ATOM 364 CD GLN A 18 12.296 -1.677 -3.912 1.00 1.00 C ATOM 365 OE1 GLN A 18 12.829 -1.616 -5.020 1.00 1.00 O ATOM 366 NE2 GLN A 18 12.993 -1.888 -2.806 1.00 1.00 N ATOM 0 H GLN A 18 8.913 1.136 -3.032 1.00 1.00 H new ATOM 0 HA GLN A 18 8.416 -1.718 -2.487 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.880 0.039 -2.268 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.801 -1.586 -1.617 1.00 1.00 H new ATOM 0 HG2 GLN A 18 10.304 -2.458 -3.898 1.00 1.00 H new ATOM 0 HG3 GLN A 18 10.432 -0.831 -4.536 1.00 1.00 H new ATOM 0 HE21 GLN A 18 12.518 -1.933 -1.904 1.00 1.00 H new ATOM 0 HE22 GLN A 18 14.005 -2.006 -2.856 1.00 1.00 H new ATOM 375 N PHE A 19 7.983 -1.461 -0.079 1.00 1.00 N ATOM 376 CA PHE A 19 7.680 -1.352 1.337 1.00 1.00 C ATOM 377 C PHE A 19 8.428 -2.435 2.104 1.00 1.00 C ATOM 378 O PHE A 19 9.163 -3.226 1.514 1.00 1.00 O ATOM 379 CB PHE A 19 6.178 -1.515 1.583 1.00 1.00 C ATOM 380 CG PHE A 19 5.296 -0.537 0.854 1.00 1.00 C ATOM 381 CD1 PHE A 19 5.004 0.701 1.405 1.00 1.00 C ATOM 382 CD2 PHE A 19 4.737 -0.868 -0.371 1.00 1.00 C ATOM 383 CE1 PHE A 19 4.169 1.589 0.751 1.00 1.00 C ATOM 384 CE2 PHE A 19 3.907 0.017 -1.032 1.00 1.00 C ATOM 385 CZ PHE A 19 3.622 1.246 -0.470 1.00 1.00 C ATOM 0 H PHE A 19 7.690 -2.341 -0.503 1.00 1.00 H new ATOM 0 HA PHE A 19 7.991 -0.366 1.681 1.00 1.00 H new ATOM 0 HB2 PHE A 19 5.887 -2.525 1.295 1.00 1.00 H new ATOM 0 HB3 PHE A 19 5.990 -1.421 2.653 1.00 1.00 H new ATOM 0 HD1 PHE A 19 5.434 0.976 2.357 1.00 1.00 H new ATOM 0 HD2 PHE A 19 4.953 -1.829 -0.814 1.00 1.00 H new ATOM 0 HE1 PHE A 19 3.945 2.548 1.194 1.00 1.00 H new ATOM 0 HE2 PHE A 19 3.481 -0.252 -1.987 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.972 1.938 -0.985 1.00 1.00 H new ATOM 395 N GLU A 20 8.235 -2.476 3.412 1.00 1.00 N ATOM 396 CA GLU A 20 8.792 -3.541 4.230 1.00 1.00 C ATOM 397 C GLU A 20 7.662 -4.400 4.776 1.00 1.00 C ATOM 398 O GLU A 20 6.570 -3.897 5.030 1.00 1.00 O ATOM 399 CB GLU A 20 9.591 -2.969 5.401 1.00 1.00 C ATOM 400 CG GLU A 20 10.672 -1.983 5.000 1.00 1.00 C ATOM 401 CD GLU A 20 11.377 -1.401 6.205 1.00 1.00 C ATOM 402 OE1 GLU A 20 10.905 -0.381 6.740 1.00 1.00 O ATOM 403 OE2 GLU A 20 12.404 -1.969 6.631 1.00 1.00 O ATOM 0 H GLU A 20 7.696 -1.783 3.931 1.00 1.00 H new ATOM 0 HA GLU A 20 9.458 -4.139 3.609 1.00 1.00 H new ATOM 0 HB2 GLU A 20 8.903 -2.476 6.088 1.00 1.00 H new ATOM 0 HB3 GLU A 20 10.052 -3.792 5.947 1.00 1.00 H new ATOM 0 HG2 GLU A 20 11.399 -2.482 4.359 1.00 1.00 H new ATOM 0 HG3 GLU A 20 10.230 -1.178 4.414 1.00 1.00 H new ATOM 410 N PRO A 21 7.895 -5.704 4.965 1.00 1.00 N ATOM 411 CA PRO A 21 6.910 -6.589 5.593 1.00 1.00 C ATOM 412 C PRO A 21 6.540 -6.104 6.991 1.00 1.00 C ATOM 413 O PRO A 21 5.399 -6.247 7.434 1.00 1.00 O ATOM 414 CB PRO A 21 7.626 -7.943 5.665 1.00 1.00 C ATOM 415 CG PRO A 21 8.705 -7.869 4.638 1.00 1.00 C ATOM 416 CD PRO A 21 9.116 -6.424 4.562 1.00 1.00 C ATOM 0 HA PRO A 21 5.975 -6.629 5.035 1.00 1.00 H new ATOM 0 HB2 PRO A 21 8.039 -8.118 6.658 1.00 1.00 H new ATOM 0 HB3 PRO A 21 6.939 -8.763 5.456 1.00 1.00 H new ATOM 0 HG2 PRO A 21 9.550 -8.500 4.915 1.00 1.00 H new ATOM 0 HG3 PRO A 21 8.347 -8.223 3.671 1.00 1.00 H new ATOM 0 HD2 PRO A 21 9.950 -6.207 5.229 1.00 1.00 H new ATOM 0 HD3 PRO A 21 9.433 -6.148 3.556 1.00 1.00 H new ATOM 424 N SER A 22 7.513 -5.501 7.663 1.00 1.00 N ATOM 425 CA SER A 22 7.326 -4.989 9.014 1.00 1.00 C ATOM 426 C SER A 22 6.536 -3.684 9.018 1.00 1.00 C ATOM 427 O SER A 22 6.049 -3.250 10.065 1.00 1.00 O ATOM 428 CB SER A 22 8.686 -4.770 9.669 1.00 1.00 C ATOM 429 OG SER A 22 9.547 -4.034 8.810 1.00 1.00 O ATOM 0 H SER A 22 8.450 -5.354 7.288 1.00 1.00 H new ATOM 0 HA SER A 22 6.754 -5.726 9.578 1.00 1.00 H new ATOM 0 HB2 SER A 22 8.560 -4.235 10.610 1.00 1.00 H new ATOM 0 HB3 SER A 22 9.139 -5.732 9.908 1.00 1.00 H new ATOM 0 HG SER A 22 10.413 -3.903 9.249 1.00 1.00 H new ATOM 435 N THR A 23 6.418 -3.061 7.853 1.00 1.00 N ATOM 436 CA THR A 23 5.742 -1.781 7.737 1.00 1.00 C ATOM 437 C THR A 23 4.259 -1.910 8.066 1.00 1.00 C ATOM 438 O THR A 23 3.572 -2.798 7.558 1.00 1.00 O ATOM 439 CB THR A 23 5.916 -1.192 6.323 1.00 1.00 C ATOM 440 OG1 THR A 23 7.310 -1.014 6.046 1.00 1.00 O ATOM 441 CG2 THR A 23 5.202 0.142 6.183 1.00 1.00 C ATOM 0 H THR A 23 6.784 -3.425 6.973 1.00 1.00 H new ATOM 0 HA THR A 23 6.200 -1.104 8.458 1.00 1.00 H new ATOM 0 HB THR A 23 5.476 -1.891 5.611 1.00 1.00 H new ATOM 0 HG1 THR A 23 7.419 -0.369 5.316 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.346 0.528 5.174 1.00 1.00 H new ATOM 0 HG22 THR A 23 4.137 0.006 6.371 1.00 1.00 H new ATOM 0 HG23 THR A 23 5.610 0.851 6.904 1.00 1.00 H new ATOM 449 N MET A 24 3.788 -1.036 8.938 1.00 1.00 N ATOM 450 CA MET A 24 2.385 -0.997 9.312 1.00 1.00 C ATOM 451 C MET A 24 1.590 -0.287 8.224 1.00 1.00 C ATOM 452 O MET A 24 2.146 0.507 7.467 1.00 1.00 O ATOM 453 CB MET A 24 2.218 -0.269 10.643 1.00 1.00 C ATOM 454 CG MET A 24 3.093 -0.817 11.761 1.00 1.00 C ATOM 455 SD MET A 24 2.620 -2.478 12.277 1.00 1.00 S ATOM 456 CE MET A 24 1.009 -2.154 12.989 1.00 1.00 C ATOM 0 H MET A 24 4.364 -0.336 9.405 1.00 1.00 H new ATOM 0 HA MET A 24 2.013 -2.016 9.423 1.00 1.00 H new ATOM 0 HB2 MET A 24 2.448 0.787 10.500 1.00 1.00 H new ATOM 0 HB3 MET A 24 1.174 -0.329 10.950 1.00 1.00 H new ATOM 0 HG2 MET A 24 4.131 -0.827 11.430 1.00 1.00 H new ATOM 0 HG3 MET A 24 3.039 -0.147 12.619 1.00 1.00 H new ATOM 0 HE1 MET A 24 0.673 -3.031 13.542 1.00 1.00 H new ATOM 0 HE2 MET A 24 1.075 -1.301 13.665 1.00 1.00 H new ATOM 0 HE3 MET A 24 0.298 -1.932 12.194 1.00 1.00 H new ATOM 466 N VAL A 25 0.298 -0.560 8.147 1.00 1.00 N ATOM 467 CA VAL A 25 -0.537 0.018 7.103 1.00 1.00 C ATOM 468 C VAL A 25 -0.621 1.539 7.227 1.00 1.00 C ATOM 469 O VAL A 25 -0.565 2.244 6.221 1.00 1.00 O ATOM 470 CB VAL A 25 -1.950 -0.593 7.106 1.00 1.00 C ATOM 471 CG1 VAL A 25 -2.835 0.072 6.061 1.00 1.00 C ATOM 472 CG2 VAL A 25 -1.869 -2.092 6.862 1.00 1.00 C ATOM 0 H VAL A 25 -0.196 -1.176 8.792 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.062 -0.222 6.152 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.399 -0.418 8.084 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -3.827 -0.379 6.085 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -2.915 1.137 6.277 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.397 -0.066 5.072 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -2.873 -2.516 6.866 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.400 -2.279 5.896 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.276 -2.557 7.649 1.00 1.00 H new ATOM 482 N TYR A 26 -0.728 2.050 8.455 1.00 1.00 N ATOM 483 CA TYR A 26 -0.760 3.500 8.662 1.00 1.00 C ATOM 484 C TYR A 26 0.561 4.118 8.220 1.00 1.00 C ATOM 485 O TYR A 26 0.623 5.281 7.820 1.00 1.00 O ATOM 486 CB TYR A 26 -1.044 3.856 10.134 1.00 1.00 C ATOM 487 CG TYR A 26 0.110 3.623 11.094 1.00 1.00 C ATOM 488 CD1 TYR A 26 1.062 4.611 11.319 1.00 1.00 C ATOM 489 CD2 TYR A 26 0.238 2.426 11.783 1.00 1.00 C ATOM 490 CE1 TYR A 26 2.108 4.408 12.197 1.00 1.00 C ATOM 491 CE2 TYR A 26 1.281 2.217 12.664 1.00 1.00 C ATOM 492 CZ TYR A 26 2.213 3.209 12.866 1.00 1.00 C ATOM 493 OH TYR A 26 3.252 3.002 13.746 1.00 1.00 O ATOM 0 H TYR A 26 -0.793 1.494 9.307 1.00 1.00 H new ATOM 0 HA TYR A 26 -1.571 3.907 8.058 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -1.333 4.906 10.187 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -1.900 3.272 10.473 1.00 1.00 H new ATOM 0 HD1 TYR A 26 0.982 5.554 10.798 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -0.490 1.644 11.628 1.00 1.00 H new ATOM 0 HE1 TYR A 26 2.840 5.186 12.358 1.00 1.00 H new ATOM 0 HE2 TYR A 26 1.365 1.279 13.192 1.00 1.00 H new ATOM 0 HH TYR A 26 3.178 2.105 14.134 1.00 1.00 H new ATOM 503 N ASP A 27 1.609 3.315 8.285 1.00 1.00 N ATOM 504 CA ASP A 27 2.951 3.764 7.941 1.00 1.00 C ATOM 505 C ASP A 27 3.144 3.727 6.428 1.00 1.00 C ATOM 506 O ASP A 27 3.628 4.685 5.826 1.00 1.00 O ATOM 507 CB ASP A 27 3.990 2.884 8.637 1.00 1.00 C ATOM 508 CG ASP A 27 5.390 3.460 8.571 1.00 1.00 C ATOM 509 OD1 ASP A 27 6.102 3.205 7.582 1.00 1.00 O ATOM 510 OD2 ASP A 27 5.789 4.167 9.521 1.00 1.00 O ATOM 0 H ASP A 27 1.557 2.339 8.576 1.00 1.00 H new ATOM 0 HA ASP A 27 3.082 4.791 8.281 1.00 1.00 H new ATOM 0 HB2 ASP A 27 3.706 2.752 9.681 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.987 1.895 8.178 1.00 1.00 H new ATOM 515 N ALA A 28 2.733 2.619 5.820 1.00 1.00 N ATOM 516 CA ALA A 28 2.798 2.459 4.373 1.00 1.00 C ATOM 517 C ALA A 28 1.912 3.485 3.675 1.00 1.00 C ATOM 518 O ALA A 28 2.261 4.009 2.614 1.00 1.00 O ATOM 519 CB ALA A 28 2.384 1.050 3.980 1.00 1.00 C ATOM 0 H ALA A 28 2.348 1.813 6.312 1.00 1.00 H new ATOM 0 HA ALA A 28 3.828 2.624 4.056 1.00 1.00 H new ATOM 0 HB1 ALA A 28 2.437 0.944 2.896 1.00 1.00 H new ATOM 0 HB2 ALA A 28 3.055 0.330 4.448 1.00 1.00 H new ATOM 0 HB3 ALA A 28 1.363 0.865 4.313 1.00 1.00 H new ATOM 525 N CYS A 29 0.768 3.773 4.282 1.00 1.00 N ATOM 526 CA CYS A 29 -0.149 4.774 3.757 1.00 1.00 C ATOM 527 C CYS A 29 0.509 6.149 3.768 1.00 1.00 C ATOM 528 O CYS A 29 0.277 6.970 2.880 1.00 1.00 O ATOM 529 CB CYS A 29 -1.440 4.793 4.581 1.00 1.00 C ATOM 530 SG CYS A 29 -2.694 5.955 3.990 1.00 1.00 S ATOM 0 H CYS A 29 0.453 3.325 5.142 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.398 4.516 2.727 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -1.867 3.790 4.586 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -1.193 5.040 5.614 1.00 1.00 H new ATOM 0 HG CYS A 29 -2.124 6.888 3.287 1.00 1.00 H new ATOM 536 N ARG A 30 1.347 6.389 4.771 1.00 1.00 N ATOM 537 CA ARG A 30 2.079 7.642 4.866 1.00 1.00 C ATOM 538 C ARG A 30 3.111 7.721 3.751 1.00 1.00 C ATOM 539 O ARG A 30 3.321 8.780 3.165 1.00 1.00 O ATOM 540 CB ARG A 30 2.781 7.765 6.219 1.00 1.00 C ATOM 541 CG ARG A 30 3.334 9.157 6.492 1.00 1.00 C ATOM 542 CD ARG A 30 4.576 9.109 7.368 1.00 1.00 C ATOM 543 NE ARG A 30 4.365 8.349 8.598 1.00 1.00 N ATOM 544 CZ ARG A 30 4.928 7.163 8.841 1.00 1.00 C ATOM 545 NH1 ARG A 30 5.705 6.588 7.929 1.00 1.00 N ATOM 546 NH2 ARG A 30 4.716 6.548 9.995 1.00 1.00 N ATOM 0 H ARG A 30 1.535 5.731 5.528 1.00 1.00 H new ATOM 0 HA ARG A 30 1.367 8.461 4.769 1.00 1.00 H new ATOM 0 HB2 ARG A 30 2.078 7.500 7.009 1.00 1.00 H new ATOM 0 HB3 ARG A 30 3.597 7.044 6.263 1.00 1.00 H new ATOM 0 HG2 ARG A 30 3.574 9.645 5.547 1.00 1.00 H new ATOM 0 HG3 ARG A 30 2.569 9.763 6.978 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.396 8.663 6.805 1.00 1.00 H new ATOM 0 HD3 ARG A 30 4.878 10.125 7.620 1.00 1.00 H new ATOM 0 HE ARG A 30 3.753 8.747 9.311 1.00 1.00 H new ATOM 0 HH11 ARG A 30 5.874 7.053 7.037 1.00 1.00 H new ATOM 0 HH12 ARG A 30 6.132 5.682 8.121 1.00 1.00 H new ATOM 0 HH21 ARG A 30 4.121 6.980 10.702 1.00 1.00 H new ATOM 0 HH22 ARG A 30 5.148 5.642 10.177 1.00 1.00 H new ATOM 560 N MET A 31 3.743 6.586 3.455 1.00 1.00 N ATOM 561 CA MET A 31 4.756 6.523 2.407 1.00 1.00 C ATOM 562 C MET A 31 4.182 6.958 1.067 1.00 1.00 C ATOM 563 O MET A 31 4.840 7.669 0.309 1.00 1.00 O ATOM 564 CB MET A 31 5.343 5.117 2.282 1.00 1.00 C ATOM 565 CG MET A 31 6.166 4.681 3.482 1.00 1.00 C ATOM 566 SD MET A 31 7.080 3.160 3.172 1.00 1.00 S ATOM 567 CE MET A 31 7.912 2.944 4.742 1.00 1.00 C ATOM 0 H MET A 31 3.570 5.699 3.927 1.00 1.00 H new ATOM 0 HA MET A 31 5.554 7.209 2.691 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.529 4.407 2.135 1.00 1.00 H new ATOM 0 HB3 MET A 31 5.969 5.074 1.390 1.00 1.00 H new ATOM 0 HG2 MET A 31 6.865 5.474 3.747 1.00 1.00 H new ATOM 0 HG3 MET A 31 5.507 4.538 4.338 1.00 1.00 H new ATOM 0 HE1 MET A 31 8.826 2.368 4.593 1.00 1.00 H new ATOM 0 HE2 MET A 31 8.162 3.920 5.159 1.00 1.00 H new ATOM 0 HE3 MET A 31 7.256 2.412 5.431 1.00 1.00 H new ATOM 577 N ILE A 32 2.953 6.536 0.782 1.00 1.00 N ATOM 578 CA ILE A 32 2.277 6.939 -0.444 1.00 1.00 C ATOM 579 C ILE A 32 2.070 8.452 -0.468 1.00 1.00 C ATOM 580 O ILE A 32 2.276 9.097 -1.493 1.00 1.00 O ATOM 581 CB ILE A 32 0.921 6.207 -0.628 1.00 1.00 C ATOM 582 CG1 ILE A 32 1.157 4.719 -0.897 1.00 1.00 C ATOM 583 CG2 ILE A 32 0.112 6.830 -1.756 1.00 1.00 C ATOM 584 CD1 ILE A 32 1.956 4.460 -2.153 1.00 1.00 C ATOM 0 H ILE A 32 2.408 5.917 1.382 1.00 1.00 H new ATOM 0 HA ILE A 32 2.919 6.654 -1.277 1.00 1.00 H new ATOM 0 HB ILE A 32 0.348 6.312 0.293 1.00 1.00 H new ATOM 0 HG12 ILE A 32 1.678 4.281 -0.046 1.00 1.00 H new ATOM 0 HG13 ILE A 32 0.194 4.214 -0.976 1.00 1.00 H new ATOM 0 HG21 ILE A 32 -0.833 6.298 -1.863 1.00 1.00 H new ATOM 0 HG22 ILE A 32 -0.085 7.877 -1.527 1.00 1.00 H new ATOM 0 HG23 ILE A 32 0.674 6.762 -2.687 1.00 1.00 H new ATOM 0 HD11 ILE A 32 2.088 3.386 -2.285 1.00 1.00 H new ATOM 0 HD12 ILE A 32 1.425 4.869 -3.013 1.00 1.00 H new ATOM 0 HD13 ILE A 32 2.932 4.937 -2.068 1.00 1.00 H new ATOM 596 N ARG A 33 1.708 9.011 0.678 1.00 1.00 N ATOM 597 CA ARG A 33 1.473 10.447 0.798 1.00 1.00 C ATOM 598 C ARG A 33 2.766 11.246 0.622 1.00 1.00 C ATOM 599 O ARG A 33 2.764 12.331 0.036 1.00 1.00 O ATOM 600 CB ARG A 33 0.867 10.768 2.163 1.00 1.00 C ATOM 601 CG ARG A 33 -0.534 10.216 2.374 1.00 1.00 C ATOM 602 CD ARG A 33 -1.049 10.552 3.767 1.00 1.00 C ATOM 603 NE ARG A 33 -1.020 11.992 4.024 1.00 1.00 N ATOM 604 CZ ARG A 33 -0.128 12.593 4.813 1.00 1.00 C ATOM 605 NH1 ARG A 33 0.715 11.873 5.541 1.00 1.00 N ATOM 606 NH2 ARG A 33 -0.103 13.914 4.905 1.00 1.00 N ATOM 0 H ARG A 33 1.569 8.490 1.544 1.00 1.00 H new ATOM 0 HA ARG A 33 0.780 10.733 0.006 1.00 1.00 H new ATOM 0 HB2 ARG A 33 1.521 10.372 2.940 1.00 1.00 H new ATOM 0 HB3 ARG A 33 0.841 11.850 2.290 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -1.208 10.629 1.624 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -0.527 9.135 2.236 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -2.069 10.184 3.876 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -0.443 10.037 4.513 1.00 1.00 H new ATOM 0 HE ARG A 33 -1.726 12.573 3.572 1.00 1.00 H new ATOM 0 HH11 ARG A 33 0.683 10.854 5.499 1.00 1.00 H new ATOM 0 HH12 ARG A 33 1.395 12.338 6.143 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -0.767 14.475 4.372 1.00 1.00 H new ATOM 0 HH22 ARG A 33 0.580 14.370 5.509 1.00 1.00 H new ATOM 620 N GLU A 34 3.863 10.714 1.143 1.00 1.00 N ATOM 621 CA GLU A 34 5.145 11.413 1.112 1.00 1.00 C ATOM 622 C GLU A 34 5.821 11.274 -0.249 1.00 1.00 C ATOM 623 O GLU A 34 6.520 12.180 -0.705 1.00 1.00 O ATOM 624 CB GLU A 34 6.072 10.874 2.204 1.00 1.00 C ATOM 625 CG GLU A 34 5.495 10.980 3.608 1.00 1.00 C ATOM 626 CD GLU A 34 5.157 12.403 3.998 1.00 1.00 C ATOM 627 OE1 GLU A 34 6.065 13.128 4.459 1.00 1.00 O ATOM 628 OE2 GLU A 34 3.983 12.802 3.857 1.00 1.00 O ATOM 0 H GLU A 34 3.893 9.799 1.593 1.00 1.00 H new ATOM 0 HA GLU A 34 4.949 12.470 1.292 1.00 1.00 H new ATOM 0 HB2 GLU A 34 6.298 9.829 1.992 1.00 1.00 H new ATOM 0 HB3 GLU A 34 7.016 11.418 2.167 1.00 1.00 H new ATOM 0 HG2 GLU A 34 4.596 10.367 3.674 1.00 1.00 H new ATOM 0 HG3 GLU A 34 6.211 10.573 4.322 1.00 1.00 H new ATOM 635 N ARG A 35 5.616 10.136 -0.891 1.00 1.00 N ATOM 636 CA ARG A 35 6.239 9.865 -2.179 1.00 1.00 C ATOM 637 C ARG A 35 5.405 10.424 -3.324 1.00 1.00 C ATOM 638 O ARG A 35 5.937 11.026 -4.257 1.00 1.00 O ATOM 639 CB ARG A 35 6.433 8.358 -2.363 1.00 1.00 C ATOM 640 CG ARG A 35 6.930 7.962 -3.745 1.00 1.00 C ATOM 641 CD ARG A 35 8.286 8.571 -4.050 1.00 1.00 C ATOM 642 NE ARG A 35 9.341 8.019 -3.207 1.00 1.00 N ATOM 643 CZ ARG A 35 10.627 8.330 -3.330 1.00 1.00 C ATOM 644 NH1 ARG A 35 11.029 9.186 -4.263 1.00 1.00 N ATOM 645 NH2 ARG A 35 11.512 7.774 -2.518 1.00 1.00 N ATOM 0 H ARG A 35 5.023 9.383 -0.542 1.00 1.00 H new ATOM 0 HA ARG A 35 7.211 10.359 -2.193 1.00 1.00 H new ATOM 0 HB2 ARG A 35 7.142 8.000 -1.617 1.00 1.00 H new ATOM 0 HB3 ARG A 35 5.486 7.854 -2.171 1.00 1.00 H new ATOM 0 HG2 ARG A 35 6.996 6.876 -3.811 1.00 1.00 H new ATOM 0 HG3 ARG A 35 6.209 8.284 -4.497 1.00 1.00 H new ATOM 0 HD2 ARG A 35 8.533 8.398 -5.098 1.00 1.00 H new ATOM 0 HD3 ARG A 35 8.238 9.651 -3.908 1.00 1.00 H new ATOM 0 HE ARG A 35 9.076 7.355 -2.480 1.00 1.00 H new ATOM 0 HH11 ARG A 35 10.348 9.611 -4.893 1.00 1.00 H new ATOM 0 HH12 ARG A 35 12.018 9.418 -4.350 1.00 1.00 H new ATOM 0 HH21 ARG A 35 11.205 7.113 -1.805 1.00 1.00 H new ATOM 0 HH22 ARG A 35 12.501 8.007 -2.605 1.00 1.00 H new ATOM 659 N ILE A 36 4.103 10.223 -3.248 1.00 1.00 N ATOM 660 CA ILE A 36 3.217 10.583 -4.337 1.00 1.00 C ATOM 661 C ILE A 36 2.273 11.701 -3.912 1.00 1.00 C ATOM 662 O ILE A 36 1.493 11.543 -2.974 1.00 1.00 O ATOM 663 CB ILE A 36 2.393 9.361 -4.793 1.00 1.00 C ATOM 664 CG1 ILE A 36 3.312 8.154 -4.998 1.00 1.00 C ATOM 665 CG2 ILE A 36 1.639 9.680 -6.077 1.00 1.00 C ATOM 666 CD1 ILE A 36 2.571 6.851 -5.194 1.00 1.00 C ATOM 0 H ILE A 36 3.635 9.811 -2.441 1.00 1.00 H new ATOM 0 HA ILE A 36 3.831 10.930 -5.168 1.00 1.00 H new ATOM 0 HB ILE A 36 1.666 9.119 -4.018 1.00 1.00 H new ATOM 0 HG12 ILE A 36 3.946 8.335 -5.866 1.00 1.00 H new ATOM 0 HG13 ILE A 36 3.972 8.060 -4.135 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.062 8.808 -6.386 1.00 1.00 H new ATOM 0 HG22 ILE A 36 0.965 10.519 -5.904 1.00 1.00 H new ATOM 0 HG23 ILE A 36 2.350 9.942 -6.861 1.00 1.00 H new ATOM 0 HD11 ILE A 36 3.288 6.042 -5.333 1.00 1.00 H new ATOM 0 HD12 ILE A 36 1.958 6.646 -4.317 1.00 1.00 H new ATOM 0 HD13 ILE A 36 1.932 6.925 -6.074 1.00 1.00 H new ATOM 678 N PRO A 37 2.320 12.847 -4.605 1.00 1.00 N ATOM 679 CA PRO A 37 1.454 13.991 -4.300 1.00 1.00 C ATOM 680 C PRO A 37 0.045 13.743 -4.802 1.00 1.00 C ATOM 681 O PRO A 37 -0.920 14.345 -4.332 1.00 1.00 O ATOM 682 CB PRO A 37 2.101 15.115 -5.102 1.00 1.00 C ATOM 683 CG PRO A 37 2.600 14.405 -6.305 1.00 1.00 C ATOM 684 CD PRO A 37 3.195 13.131 -5.764 1.00 1.00 C ATOM 0 HA PRO A 37 1.368 14.198 -3.233 1.00 1.00 H new ATOM 0 HB2 PRO A 37 1.384 15.895 -5.359 1.00 1.00 H new ATOM 0 HB3 PRO A 37 2.909 15.595 -4.550 1.00 1.00 H new ATOM 0 HG2 PRO A 37 1.794 14.200 -7.009 1.00 1.00 H new ATOM 0 HG3 PRO A 37 3.345 14.998 -6.837 1.00 1.00 H new ATOM 0 HD2 PRO A 37 3.172 12.326 -6.499 1.00 1.00 H new ATOM 0 HD3 PRO A 37 4.236 13.261 -5.467 1.00 1.00 H new ATOM 692 N GLU A 38 -0.051 12.826 -5.757 1.00 1.00 N ATOM 693 CA GLU A 38 -1.302 12.528 -6.420 1.00 1.00 C ATOM 694 C GLU A 38 -2.286 11.886 -5.446 1.00 1.00 C ATOM 695 O GLU A 38 -3.500 12.032 -5.585 1.00 1.00 O ATOM 696 CB GLU A 38 -1.064 11.601 -7.611 1.00 1.00 C ATOM 697 CG GLU A 38 -0.131 12.188 -8.657 1.00 1.00 C ATOM 698 CD GLU A 38 0.124 11.240 -9.809 1.00 1.00 C ATOM 699 OE1 GLU A 38 -0.790 11.049 -10.638 1.00 1.00 O ATOM 700 OE2 GLU A 38 1.245 10.692 -9.898 1.00 1.00 O ATOM 0 H GLU A 38 0.738 12.272 -6.089 1.00 1.00 H new ATOM 0 HA GLU A 38 -1.730 13.463 -6.781 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -0.648 10.660 -7.252 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -2.021 11.369 -8.078 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -0.559 13.114 -9.041 1.00 1.00 H new ATOM 0 HG3 GLU A 38 0.818 12.447 -8.187 1.00 1.00 H new ATOM 707 N ALA A 39 -1.744 11.175 -4.459 1.00 1.00 N ATOM 708 CA ALA A 39 -2.554 10.536 -3.431 1.00 1.00 C ATOM 709 C ALA A 39 -3.144 11.563 -2.474 1.00 1.00 C ATOM 710 O ALA A 39 -4.102 11.283 -1.752 1.00 1.00 O ATOM 711 CB ALA A 39 -1.709 9.539 -2.661 1.00 1.00 C ATOM 0 H ALA A 39 -0.740 11.028 -4.352 1.00 1.00 H new ATOM 0 HA ALA A 39 -3.379 10.018 -3.920 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -2.318 9.063 -1.893 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -1.328 8.780 -3.345 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -0.873 10.057 -2.192 1.00 1.00 H new ATOM 717 N LEU A 40 -2.562 12.752 -2.470 1.00 1.00 N ATOM 718 CA LEU A 40 -2.994 13.807 -1.575 1.00 1.00 C ATOM 719 C LEU A 40 -4.213 14.520 -2.140 1.00 1.00 C ATOM 720 O LEU A 40 -4.098 15.415 -2.978 1.00 1.00 O ATOM 721 CB LEU A 40 -1.855 14.799 -1.337 1.00 1.00 C ATOM 722 CG LEU A 40 -0.598 14.198 -0.707 1.00 1.00 C ATOM 723 CD1 LEU A 40 0.525 15.219 -0.676 1.00 1.00 C ATOM 724 CD2 LEU A 40 -0.897 13.693 0.695 1.00 1.00 C ATOM 0 H LEU A 40 -1.786 13.008 -3.080 1.00 1.00 H new ATOM 0 HA LEU A 40 -3.271 13.360 -0.620 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.584 15.254 -2.290 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -2.219 15.600 -0.693 1.00 1.00 H new ATOM 0 HG LEU A 40 -0.277 13.354 -1.318 1.00 1.00 H new ATOM 0 HD11 LEU A 40 1.411 14.772 -0.224 1.00 1.00 H new ATOM 0 HD12 LEU A 40 0.757 15.536 -1.693 1.00 1.00 H new ATOM 0 HD13 LEU A 40 0.215 16.083 -0.089 1.00 1.00 H new ATOM 0 HD21 LEU A 40 0.008 13.268 1.129 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -1.243 14.521 1.314 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -1.671 12.927 0.648 1.00 1.00 H new ATOM 736 N ALA A 41 -5.381 14.078 -1.707 1.00 1.00 N ATOM 737 CA ALA A 41 -6.637 14.696 -2.105 1.00 1.00 C ATOM 738 C ALA A 41 -7.573 14.781 -0.909 1.00 1.00 C ATOM 739 O ALA A 41 -8.784 14.957 -1.053 1.00 1.00 O ATOM 740 CB ALA A 41 -7.279 13.902 -3.234 1.00 1.00 C ATOM 0 H ALA A 41 -5.487 13.286 -1.073 1.00 1.00 H new ATOM 0 HA ALA A 41 -6.440 15.706 -2.466 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -8.218 14.374 -3.523 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -6.606 13.879 -4.091 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -7.474 12.884 -2.898 1.00 1.00 H new ATOM 746 N GLY A 42 -6.993 14.668 0.277 1.00 1.00 N ATOM 747 CA GLY A 42 -7.767 14.672 1.497 1.00 1.00 C ATOM 748 C GLY A 42 -7.009 14.036 2.641 1.00 1.00 C ATOM 749 O GLY A 42 -5.849 13.650 2.472 1.00 1.00 O ATOM 0 H GLY A 42 -5.987 14.573 0.414 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -8.029 15.697 1.759 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -8.702 14.135 1.337 1.00 1.00 H new ATOM 753 N PRO A 43 -7.634 13.910 3.821 1.00 1.00 N ATOM 754 CA PRO A 43 -6.991 13.322 4.999 1.00 1.00 C ATOM 755 C PRO A 43 -6.693 11.852 4.826 1.00 1.00 C ATOM 756 O PRO A 43 -7.397 11.135 4.112 1.00 1.00 O ATOM 757 CB PRO A 43 -8.007 13.551 6.121 1.00 1.00 C ATOM 758 CG PRO A 43 -9.317 13.688 5.426 1.00 1.00 C ATOM 759 CD PRO A 43 -9.020 14.330 4.100 1.00 1.00 C ATOM 0 HA PRO A 43 -6.020 13.775 5.198 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -8.017 12.717 6.822 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -7.768 14.447 6.694 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -9.790 12.715 5.291 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -10.006 14.299 6.009 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -9.707 13.989 3.325 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -9.109 15.415 4.150 1.00 1.00 H new ATOM 767 N PRO A 44 -5.637 11.381 5.499 1.00 1.00 N ATOM 768 CA PRO A 44 -5.117 10.046 5.281 1.00 1.00 C ATOM 769 C PRO A 44 -6.083 8.949 5.723 1.00 1.00 C ATOM 770 O PRO A 44 -5.974 7.804 5.291 1.00 1.00 O ATOM 771 CB PRO A 44 -3.833 10.005 6.116 1.00 1.00 C ATOM 772 CG PRO A 44 -4.017 11.056 7.154 1.00 1.00 C ATOM 773 CD PRO A 44 -4.864 12.121 6.516 1.00 1.00 C ATOM 0 HA PRO A 44 -4.952 9.856 4.220 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -3.687 9.024 6.569 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -2.956 10.206 5.501 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -4.504 10.649 8.040 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -3.057 11.460 7.475 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -5.516 12.605 7.243 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -4.253 12.904 6.066 1.00 1.00 H new ATOM 781 N ASN A 45 -7.026 9.304 6.587 1.00 1.00 N ATOM 782 CA ASN A 45 -7.990 8.340 7.105 1.00 1.00 C ATOM 783 C ASN A 45 -9.233 8.289 6.217 1.00 1.00 C ATOM 784 O ASN A 45 -10.073 7.399 6.349 1.00 1.00 O ATOM 785 CB ASN A 45 -8.364 8.694 8.549 1.00 1.00 C ATOM 786 CG ASN A 45 -9.245 7.650 9.215 1.00 1.00 C ATOM 787 OD1 ASN A 45 -8.754 6.657 9.755 1.00 1.00 O ATOM 788 ND2 ASN A 45 -10.547 7.888 9.217 1.00 1.00 N ATOM 0 H ASN A 45 -7.144 10.252 6.944 1.00 1.00 H new ATOM 0 HA ASN A 45 -7.533 7.350 7.098 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -7.452 8.816 9.134 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -8.880 9.654 8.558 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -11.184 7.237 9.677 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -10.914 8.722 8.758 1.00 1.00 H new ATOM 795 N ASP A 46 -9.342 9.243 5.300 1.00 1.00 N ATOM 796 CA ASP A 46 -10.452 9.273 4.362 1.00 1.00 C ATOM 797 C ASP A 46 -10.200 8.250 3.267 1.00 1.00 C ATOM 798 O ASP A 46 -11.117 7.583 2.780 1.00 1.00 O ATOM 799 CB ASP A 46 -10.597 10.674 3.765 1.00 1.00 C ATOM 800 CG ASP A 46 -11.800 10.799 2.858 1.00 1.00 C ATOM 801 OD1 ASP A 46 -12.933 10.885 3.375 1.00 1.00 O ATOM 802 OD2 ASP A 46 -11.623 10.841 1.627 1.00 1.00 O ATOM 0 H ASP A 46 -8.674 10.005 5.188 1.00 1.00 H new ATOM 0 HA ASP A 46 -11.379 9.026 4.879 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -10.678 11.402 4.572 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -9.696 10.920 3.203 1.00 1.00 H new ATOM 807 N PHE A 47 -8.931 8.123 2.912 1.00 1.00 N ATOM 808 CA PHE A 47 -8.481 7.126 1.961 1.00 1.00 C ATOM 809 C PHE A 47 -7.891 5.941 2.719 1.00 1.00 C ATOM 810 O PHE A 47 -7.863 5.941 3.950 1.00 1.00 O ATOM 811 CB PHE A 47 -7.423 7.720 1.026 1.00 1.00 C ATOM 812 CG PHE A 47 -7.882 8.936 0.268 1.00 1.00 C ATOM 813 CD1 PHE A 47 -7.788 10.199 0.831 1.00 1.00 C ATOM 814 CD2 PHE A 47 -8.401 8.814 -1.009 1.00 1.00 C ATOM 815 CE1 PHE A 47 -8.207 11.315 0.134 1.00 1.00 C ATOM 816 CE2 PHE A 47 -8.821 9.926 -1.710 1.00 1.00 C ATOM 817 CZ PHE A 47 -8.724 11.179 -1.138 1.00 1.00 C ATOM 0 H PHE A 47 -8.183 8.712 3.278 1.00 1.00 H new ATOM 0 HA PHE A 47 -9.329 6.796 1.361 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -6.542 7.982 1.612 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -7.115 6.956 0.312 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -7.383 10.312 1.826 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -8.478 7.837 -1.462 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -8.130 12.294 0.584 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -9.225 9.816 -2.705 1.00 1.00 H new ATOM 0 HZ PHE A 47 -9.052 12.051 -1.685 1.00 1.00 H new ATOM 827 N GLY A 48 -7.429 4.938 1.996 1.00 1.00 N ATOM 828 CA GLY A 48 -6.799 3.805 2.633 1.00 1.00 C ATOM 829 C GLY A 48 -6.208 2.847 1.628 1.00 1.00 C ATOM 830 O GLY A 48 -6.328 3.056 0.417 1.00 1.00 O ATOM 0 H GLY A 48 -7.479 4.887 0.978 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -6.015 4.156 3.304 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -7.532 3.280 3.246 1.00 1.00 H new ATOM 834 N LEU A 49 -5.566 1.801 2.124 1.00 1.00 N ATOM 835 CA LEU A 49 -4.988 0.785 1.264 1.00 1.00 C ATOM 836 C LEU A 49 -5.977 -0.348 1.052 1.00 1.00 C ATOM 837 O LEU A 49 -6.506 -0.919 2.008 1.00 1.00 O ATOM 838 CB LEU A 49 -3.683 0.242 1.852 1.00 1.00 C ATOM 839 CG LEU A 49 -2.525 1.242 1.912 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.281 0.572 2.471 1.00 1.00 C ATOM 841 CD2 LEU A 49 -2.241 1.819 0.532 1.00 1.00 C ATOM 0 H LEU A 49 -5.433 1.635 3.121 1.00 1.00 H new ATOM 0 HA LEU A 49 -4.762 1.245 0.302 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -3.881 -0.120 2.861 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.368 -0.618 1.261 1.00 1.00 H new ATOM 0 HG LEU A 49 -2.810 2.060 2.573 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.465 1.294 2.509 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.486 0.204 3.476 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -0.998 -0.263 1.830 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.415 2.527 0.597 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -1.975 1.013 -0.152 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -3.129 2.331 0.162 1.00 1.00 H new ATOM 853 N PHE A 50 -6.225 -0.660 -0.203 1.00 1.00 N ATOM 854 CA PHE A 50 -7.153 -1.713 -0.564 1.00 1.00 C ATOM 855 C PHE A 50 -6.404 -2.835 -1.259 1.00 1.00 C ATOM 856 O PHE A 50 -5.893 -2.652 -2.362 1.00 1.00 O ATOM 857 CB PHE A 50 -8.250 -1.151 -1.476 1.00 1.00 C ATOM 858 CG PHE A 50 -9.241 -2.173 -1.961 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.295 -2.570 -1.157 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.123 -2.725 -3.226 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.211 -3.501 -1.604 1.00 1.00 C ATOM 862 CE2 PHE A 50 -10.035 -3.658 -3.678 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.082 -4.044 -2.866 1.00 1.00 C ATOM 0 H PHE A 50 -5.791 -0.193 -0.999 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.622 -2.109 0.337 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -8.787 -0.369 -0.939 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -7.781 -0.680 -2.340 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.402 -2.147 -0.169 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.308 -2.422 -3.866 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -12.028 -3.804 -0.966 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -9.929 -4.085 -4.665 1.00 1.00 H new ATOM 0 HZ PHE A 50 -11.800 -4.770 -3.218 1.00 1.00 H new ATOM 873 N LEU A 51 -6.316 -3.981 -0.607 1.00 1.00 N ATOM 874 CA LEU A 51 -5.640 -5.126 -1.188 1.00 1.00 C ATOM 875 C LEU A 51 -6.478 -5.677 -2.331 1.00 1.00 C ATOM 876 O LEU A 51 -7.492 -6.336 -2.100 1.00 1.00 O ATOM 877 CB LEU A 51 -5.402 -6.210 -0.132 1.00 1.00 C ATOM 878 CG LEU A 51 -4.617 -7.432 -0.617 1.00 1.00 C ATOM 879 CD1 LEU A 51 -3.224 -7.029 -1.079 1.00 1.00 C ATOM 880 CD2 LEU A 51 -4.530 -8.476 0.486 1.00 1.00 C ATOM 0 H LEU A 51 -6.703 -4.143 0.323 1.00 1.00 H new ATOM 0 HA LEU A 51 -4.669 -4.809 -1.569 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -4.868 -5.765 0.708 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.368 -6.545 0.246 1.00 1.00 H new ATOM 0 HG LEU A 51 -5.146 -7.865 -1.466 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -2.684 -7.912 -1.419 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -3.305 -6.315 -1.899 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -2.684 -6.571 -0.250 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -3.969 -9.339 0.127 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -4.024 -8.049 1.352 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -5.535 -8.789 0.771 1.00 1.00 H new ATOM 892 N SER A 52 -6.069 -5.374 -3.554 1.00 1.00 N ATOM 893 CA SER A 52 -6.821 -5.777 -4.724 1.00 1.00 C ATOM 894 C SER A 52 -6.749 -7.275 -4.930 1.00 1.00 C ATOM 895 O SER A 52 -5.742 -7.917 -4.621 1.00 1.00 O ATOM 896 CB SER A 52 -6.299 -5.076 -5.969 1.00 1.00 C ATOM 897 OG SER A 52 -6.348 -3.668 -5.822 1.00 1.00 O ATOM 0 H SER A 52 -5.218 -4.849 -3.758 1.00 1.00 H new ATOM 0 HA SER A 52 -7.859 -5.491 -4.557 1.00 1.00 H new ATOM 0 HB2 SER A 52 -5.273 -5.389 -6.162 1.00 1.00 H new ATOM 0 HB3 SER A 52 -6.892 -5.375 -6.834 1.00 1.00 H new ATOM 0 HG SER A 52 -7.201 -3.332 -6.169 1.00 1.00 H new ATOM 903 N ASP A 53 -7.823 -7.818 -5.454 1.00 1.00 N ATOM 904 CA ASP A 53 -7.915 -9.226 -5.715 1.00 1.00 C ATOM 905 C ASP A 53 -8.348 -9.448 -7.165 1.00 1.00 C ATOM 906 O ASP A 53 -8.311 -8.515 -7.972 1.00 1.00 O ATOM 907 CB ASP A 53 -8.913 -9.830 -4.737 1.00 1.00 C ATOM 908 CG ASP A 53 -10.330 -9.584 -5.119 1.00 1.00 C ATOM 909 OD1 ASP A 53 -10.778 -8.420 -5.075 1.00 1.00 O ATOM 910 OD2 ASP A 53 -10.990 -10.581 -5.471 1.00 1.00 O ATOM 0 H ASP A 53 -8.657 -7.290 -5.710 1.00 1.00 H new ATOM 0 HA ASP A 53 -6.949 -9.711 -5.578 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.742 -10.905 -4.671 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -8.734 -9.417 -3.744 1.00 1.00 H new ATOM 915 N ASP A 54 -8.745 -10.669 -7.502 1.00 1.00 N ATOM 916 CA ASP A 54 -9.159 -10.988 -8.868 1.00 1.00 C ATOM 917 C ASP A 54 -10.590 -10.519 -9.132 1.00 1.00 C ATOM 918 O ASP A 54 -10.960 -10.212 -10.268 1.00 1.00 O ATOM 919 CB ASP A 54 -9.049 -12.491 -9.120 1.00 1.00 C ATOM 920 CG ASP A 54 -9.426 -12.867 -10.538 1.00 1.00 C ATOM 921 OD1 ASP A 54 -8.619 -12.611 -11.459 1.00 1.00 O ATOM 922 OD2 ASP A 54 -10.528 -13.421 -10.740 1.00 1.00 O ATOM 0 H ASP A 54 -8.790 -11.454 -6.852 1.00 1.00 H new ATOM 0 HA ASP A 54 -8.493 -10.462 -9.552 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -8.028 -12.817 -8.920 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -9.696 -13.022 -8.422 1.00 1.00 H new ATOM 927 N ASP A 55 -11.380 -10.456 -8.076 1.00 1.00 N ATOM 928 CA ASP A 55 -12.764 -10.020 -8.155 1.00 1.00 C ATOM 929 C ASP A 55 -13.008 -8.979 -7.075 1.00 1.00 C ATOM 930 O ASP A 55 -13.165 -9.346 -5.921 1.00 1.00 O ATOM 931 CB ASP A 55 -13.705 -11.205 -7.940 1.00 1.00 C ATOM 932 CG ASP A 55 -15.149 -10.863 -8.237 1.00 1.00 C ATOM 933 OD1 ASP A 55 -15.842 -10.337 -7.342 1.00 1.00 O ATOM 934 OD2 ASP A 55 -15.600 -11.120 -9.369 1.00 1.00 O ATOM 0 H ASP A 55 -11.079 -10.707 -7.134 1.00 1.00 H new ATOM 0 HA ASP A 55 -12.956 -9.595 -9.140 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -13.393 -12.032 -8.577 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -13.621 -11.548 -6.909 1.00 1.00 H new ATOM 939 N PRO A 56 -13.100 -7.686 -7.460 1.00 1.00 N ATOM 940 CA PRO A 56 -13.000 -6.498 -6.557 1.00 1.00 C ATOM 941 C PRO A 56 -13.896 -6.519 -5.309 1.00 1.00 C ATOM 942 O PRO A 56 -13.907 -5.565 -4.525 1.00 1.00 O ATOM 943 CB PRO A 56 -13.405 -5.327 -7.463 1.00 1.00 C ATOM 944 CG PRO A 56 -14.057 -5.956 -8.644 1.00 1.00 C ATOM 945 CD PRO A 56 -13.353 -7.262 -8.838 1.00 1.00 C ATOM 0 HA PRO A 56 -11.995 -6.448 -6.137 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -14.088 -4.650 -6.950 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -12.536 -4.739 -7.759 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -15.123 -6.106 -8.471 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -13.963 -5.324 -9.527 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -13.970 -7.980 -9.378 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -12.429 -7.146 -9.404 1.00 1.00 H new ATOM 953 N LYS A 57 -14.640 -7.583 -5.130 1.00 1.00 N ATOM 954 CA LYS A 57 -15.540 -7.717 -3.999 1.00 1.00 C ATOM 955 C LYS A 57 -14.871 -8.558 -2.911 1.00 1.00 C ATOM 956 O LYS A 57 -15.303 -8.571 -1.757 1.00 1.00 O ATOM 957 CB LYS A 57 -16.860 -8.357 -4.449 1.00 1.00 C ATOM 958 CG LYS A 57 -17.891 -8.481 -3.339 1.00 1.00 C ATOM 959 CD LYS A 57 -19.219 -9.012 -3.853 1.00 1.00 C ATOM 960 CE LYS A 57 -19.891 -8.024 -4.792 1.00 1.00 C ATOM 961 NZ LYS A 57 -21.239 -8.488 -5.214 1.00 1.00 N ATOM 0 H LYS A 57 -14.642 -8.384 -5.762 1.00 1.00 H new ATOM 0 HA LYS A 57 -15.762 -6.731 -3.592 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -17.283 -7.764 -5.260 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -16.653 -9.348 -4.853 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -17.511 -9.146 -2.563 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -18.045 -7.506 -2.876 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -19.057 -9.956 -4.373 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -19.879 -9.221 -3.011 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -19.978 -7.056 -4.298 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -19.266 -7.877 -5.673 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -21.663 -7.786 -5.854 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -21.154 -9.399 -5.708 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -21.844 -8.604 -4.376 1.00 1.00 H new ATOM 975 N LYS A 58 -13.802 -9.248 -3.288 1.00 1.00 N ATOM 976 CA LYS A 58 -13.082 -10.116 -2.369 1.00 1.00 C ATOM 977 C LYS A 58 -11.882 -9.389 -1.776 1.00 1.00 C ATOM 978 O LYS A 58 -11.341 -9.797 -0.748 1.00 1.00 O ATOM 979 CB LYS A 58 -12.642 -11.392 -3.092 1.00 1.00 C ATOM 980 CG LYS A 58 -13.795 -12.107 -3.777 1.00 1.00 C ATOM 981 CD LYS A 58 -13.355 -13.408 -4.418 1.00 1.00 C ATOM 982 CE LYS A 58 -14.496 -14.062 -5.180 1.00 1.00 C ATOM 983 NZ LYS A 58 -15.667 -14.348 -4.307 1.00 1.00 N ATOM 0 H LYS A 58 -13.414 -9.222 -4.231 1.00 1.00 H new ATOM 0 HA LYS A 58 -13.747 -10.392 -1.550 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -11.884 -11.141 -3.834 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -12.175 -12.068 -2.375 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -14.580 -12.309 -3.049 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -14.225 -11.455 -4.537 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -12.523 -13.218 -5.097 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -12.990 -14.089 -3.649 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -14.805 -13.410 -5.997 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -14.145 -14.991 -5.629 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -16.340 -14.955 -4.817 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -15.347 -14.834 -3.445 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -16.134 -13.455 -4.048 1.00 1.00 H new ATOM 997 N GLY A 59 -11.466 -8.319 -2.444 1.00 1.00 N ATOM 998 CA GLY A 59 -10.401 -7.480 -1.935 1.00 1.00 C ATOM 999 C GLY A 59 -10.746 -6.879 -0.591 1.00 1.00 C ATOM 1000 O GLY A 59 -11.912 -6.579 -0.318 1.00 1.00 O ATOM 0 H GLY A 59 -11.853 -8.017 -3.338 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -9.488 -8.068 -1.845 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -10.197 -6.681 -2.648 1.00 1.00 H new ATOM 1004 N ILE A 60 -9.739 -6.685 0.242 1.00 1.00 N ATOM 1005 CA ILE A 60 -9.961 -6.253 1.613 1.00 1.00 C ATOM 1006 C ILE A 60 -9.214 -4.963 1.924 1.00 1.00 C ATOM 1007 O ILE A 60 -8.151 -4.695 1.360 1.00 1.00 O ATOM 1008 CB ILE A 60 -9.532 -7.347 2.613 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -8.087 -7.781 2.340 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -10.477 -8.538 2.535 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -7.599 -8.890 3.248 1.00 1.00 C ATOM 0 H ILE A 60 -8.759 -6.819 -0.006 1.00 1.00 H new ATOM 0 HA ILE A 60 -11.030 -6.069 1.718 1.00 1.00 H new ATOM 0 HB ILE A 60 -9.582 -6.937 3.622 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -8.006 -8.111 1.304 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -7.431 -6.918 2.452 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -10.161 -9.301 3.246 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -11.490 -8.215 2.776 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -10.458 -8.952 1.527 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -6.569 -9.142 2.994 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -7.646 -8.558 4.285 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.230 -9.770 3.120 1.00 1.00 H new ATOM 1023 N TRP A 61 -9.783 -4.167 2.815 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.155 -2.931 3.255 1.00 1.00 C ATOM 1025 C TRP A 61 -8.161 -3.209 4.371 1.00 1.00 C ATOM 1026 O TRP A 61 -8.496 -3.856 5.364 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.211 -1.939 3.737 1.00 1.00 C ATOM 1028 CG TRP A 61 -11.012 -1.345 2.631 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.218 -1.776 2.180 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -10.663 -0.213 1.836 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -12.649 -0.978 1.148 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -11.709 -0.010 0.919 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -9.569 0.651 1.811 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -11.689 1.023 -0.012 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -9.553 1.674 0.886 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -10.604 1.852 -0.009 1.00 1.00 C ATOM 0 H TRP A 61 -10.686 -4.357 3.251 1.00 1.00 H new ATOM 0 HA TRP A 61 -8.623 -2.497 2.408 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -10.882 -2.443 4.432 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -9.721 -1.139 4.291 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -12.760 -2.623 2.575 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -13.525 -1.089 0.637 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -8.750 0.522 2.503 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -12.501 1.164 -0.711 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -8.710 2.349 0.856 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -10.560 2.665 -0.718 1.00 1.00 H new ATOM 1047 N LEU A 62 -6.945 -2.726 4.206 1.00 1.00 N ATOM 1048 CA LEU A 62 -5.916 -2.908 5.212 1.00 1.00 C ATOM 1049 C LEU A 62 -6.138 -1.957 6.379 1.00 1.00 C ATOM 1050 O LEU A 62 -6.294 -0.750 6.188 1.00 1.00 O ATOM 1051 CB LEU A 62 -4.522 -2.687 4.619 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.032 -3.766 3.650 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -4.696 -3.630 2.293 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -2.520 -3.704 3.515 1.00 1.00 C ATOM 0 H LEU A 62 -6.645 -2.203 3.383 1.00 1.00 H new ATOM 0 HA LEU A 62 -5.979 -3.935 5.572 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.517 -1.729 4.099 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -3.807 -2.609 5.438 1.00 1.00 H new ATOM 0 HG LEU A 62 -4.308 -4.738 4.058 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.327 -4.410 1.628 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -5.776 -3.729 2.405 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.463 -2.653 1.870 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.184 -4.477 2.823 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.228 -2.725 3.135 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -2.061 -3.866 4.490 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.173 -2.510 7.580 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.325 -1.712 8.782 1.00 1.00 C ATOM 1068 C GLU A 63 -5.017 -1.011 9.103 1.00 1.00 C ATOM 1069 O GLU A 63 -3.965 -1.644 9.138 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.741 -2.587 9.963 1.00 1.00 C ATOM 1071 CG GLU A 63 -8.033 -3.349 9.738 1.00 1.00 C ATOM 1072 CD GLU A 63 -8.442 -4.152 10.952 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -8.008 -5.318 11.077 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -9.195 -3.620 11.793 1.00 1.00 O ATOM 0 H GLU A 63 -6.098 -3.513 7.747 1.00 1.00 H new ATOM 0 HA GLU A 63 -7.104 -0.970 8.607 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -5.943 -3.299 10.174 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.850 -1.959 10.847 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.827 -2.647 9.485 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -7.915 -4.018 8.885 1.00 1.00 H new ATOM 1081 N ALA A 64 -5.095 0.290 9.350 1.00 1.00 N ATOM 1082 CA ALA A 64 -3.917 1.108 9.627 1.00 1.00 C ATOM 1083 C ALA A 64 -3.089 0.534 10.776 1.00 1.00 C ATOM 1084 O ALA A 64 -1.861 0.602 10.755 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.347 2.533 9.939 1.00 1.00 C ATOM 0 H ALA A 64 -5.973 0.809 9.364 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.284 1.106 8.740 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -3.467 3.142 10.145 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -4.882 2.947 9.084 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -5.001 2.533 10.811 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.765 -0.058 11.755 1.00 1.00 N ATOM 1092 CA GLY A 65 -3.079 -0.609 12.908 1.00 1.00 C ATOM 1093 C GLY A 65 -2.587 -2.026 12.683 1.00 1.00 C ATOM 1094 O GLY A 65 -2.161 -2.697 13.623 1.00 1.00 O ATOM 0 H GLY A 65 -4.779 -0.166 11.770 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -2.231 0.029 13.159 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -3.752 -0.596 13.765 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.652 -2.490 11.443 1.00 1.00 N ATOM 1099 CA LYS A 66 -2.119 -3.796 11.084 1.00 1.00 C ATOM 1100 C LYS A 66 -0.875 -3.615 10.223 1.00 1.00 C ATOM 1101 O LYS A 66 -0.569 -2.499 9.801 1.00 1.00 O ATOM 1102 CB LYS A 66 -3.173 -4.630 10.343 1.00 1.00 C ATOM 1103 CG LYS A 66 -4.399 -4.961 11.186 1.00 1.00 C ATOM 1104 CD LYS A 66 -4.043 -5.857 12.362 1.00 1.00 C ATOM 1105 CE LYS A 66 -5.229 -6.072 13.295 1.00 1.00 C ATOM 1106 NZ LYS A 66 -6.371 -6.758 12.629 1.00 1.00 N ATOM 0 H LYS A 66 -3.070 -1.979 10.666 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.850 -4.333 11.994 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -3.491 -4.088 9.452 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -2.715 -5.559 10.004 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.849 -4.039 11.553 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -5.146 -5.455 10.565 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -3.694 -6.821 11.991 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -3.219 -5.413 12.920 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -4.908 -6.662 14.154 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -5.564 -5.108 13.678 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -7.129 -6.923 13.322 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -6.732 -6.162 11.857 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -6.051 -7.669 12.242 1.00 1.00 H new ATOM 1120 N ALA A 67 -0.148 -4.694 9.978 1.00 1.00 N ATOM 1121 CA ALA A 67 1.076 -4.623 9.188 1.00 1.00 C ATOM 1122 C ALA A 67 0.856 -5.163 7.779 1.00 1.00 C ATOM 1123 O ALA A 67 -0.181 -5.756 7.486 1.00 1.00 O ATOM 1124 CB ALA A 67 2.195 -5.387 9.878 1.00 1.00 C ATOM 0 H ALA A 67 -0.382 -5.629 10.313 1.00 1.00 H new ATOM 0 HA ALA A 67 1.363 -3.575 9.105 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.102 -5.325 9.277 1.00 1.00 H new ATOM 0 HB2 ALA A 67 2.380 -4.953 10.860 1.00 1.00 H new ATOM 0 HB3 ALA A 67 1.906 -6.432 9.992 1.00 1.00 H new ATOM 1130 N LEU A 68 1.837 -4.956 6.912 1.00 1.00 N ATOM 1131 CA LEU A 68 1.775 -5.457 5.544 1.00 1.00 C ATOM 1132 C LEU A 68 1.908 -6.977 5.515 1.00 1.00 C ATOM 1133 O LEU A 68 1.185 -7.661 4.786 1.00 1.00 O ATOM 1134 CB LEU A 68 2.875 -4.812 4.700 1.00 1.00 C ATOM 1135 CG LEU A 68 2.731 -3.302 4.501 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.832 -2.779 3.601 1.00 1.00 C ATOM 1137 CD2 LEU A 68 1.364 -2.958 3.924 1.00 1.00 C ATOM 0 H LEU A 68 2.690 -4.442 7.132 1.00 1.00 H new ATOM 0 HA LEU A 68 0.804 -5.193 5.124 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.838 -5.012 5.170 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.892 -5.293 3.722 1.00 1.00 H new ATOM 0 HG LEU A 68 2.820 -2.821 5.475 1.00 1.00 H new ATOM 0 HD11 LEU A 68 3.715 -1.703 3.470 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.801 -2.986 4.054 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.773 -3.271 2.630 1.00 1.00 H new ATOM 0 HD21 LEU A 68 1.286 -1.879 3.792 1.00 1.00 H new ATOM 0 HD22 LEU A 68 1.241 -3.452 2.960 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.585 -3.297 4.607 1.00 1.00 H new ATOM 1149 N ASP A 69 2.823 -7.502 6.328 1.00 1.00 N ATOM 1150 CA ASP A 69 3.035 -8.947 6.431 1.00 1.00 C ATOM 1151 C ASP A 69 1.762 -9.647 6.897 1.00 1.00 C ATOM 1152 O ASP A 69 1.497 -10.796 6.538 1.00 1.00 O ATOM 1153 CB ASP A 69 4.179 -9.244 7.402 1.00 1.00 C ATOM 1154 CG ASP A 69 4.411 -10.728 7.604 1.00 1.00 C ATOM 1155 OD1 ASP A 69 5.138 -11.335 6.790 1.00 1.00 O ATOM 1156 OD2 ASP A 69 3.882 -11.288 8.587 1.00 1.00 O ATOM 0 H ASP A 69 3.433 -6.946 6.928 1.00 1.00 H new ATOM 0 HA ASP A 69 3.298 -9.326 5.443 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.095 -8.786 7.028 1.00 1.00 H new ATOM 0 HB3 ASP A 69 3.961 -8.781 8.365 1.00 1.00 H new ATOM 1161 N TYR A 70 0.970 -8.920 7.674 1.00 1.00 N ATOM 1162 CA TYR A 70 -0.302 -9.408 8.202 1.00 1.00 C ATOM 1163 C TYR A 70 -1.207 -9.910 7.079 1.00 1.00 C ATOM 1164 O TYR A 70 -1.910 -10.910 7.228 1.00 1.00 O ATOM 1165 CB TYR A 70 -0.985 -8.261 8.948 1.00 1.00 C ATOM 1166 CG TYR A 70 -2.263 -8.622 9.671 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -2.229 -9.146 10.956 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -3.503 -8.406 9.083 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -3.394 -9.451 11.632 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -4.672 -8.700 9.756 1.00 1.00 C ATOM 1171 CZ TYR A 70 -4.612 -9.224 11.029 1.00 1.00 C ATOM 1172 OH TYR A 70 -5.774 -9.502 11.711 1.00 1.00 O ATOM 0 H TYR A 70 1.192 -7.966 7.959 1.00 1.00 H new ATOM 0 HA TYR A 70 -0.115 -10.244 8.876 1.00 1.00 H new ATOM 0 HB2 TYR A 70 -0.281 -7.853 9.673 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -1.204 -7.467 8.235 1.00 1.00 H new ATOM 0 HD1 TYR A 70 -1.276 -9.318 11.435 1.00 1.00 H new ATOM 0 HD2 TYR A 70 -3.553 -8.001 8.083 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -3.351 -9.865 12.628 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -5.628 -8.520 9.287 1.00 1.00 H new ATOM 0 HH TYR A 70 -6.545 -9.285 11.146 1.00 1.00 H new ATOM 1182 N TYR A 71 -1.170 -9.215 5.952 1.00 1.00 N ATOM 1183 CA TYR A 71 -2.047 -9.520 4.833 1.00 1.00 C ATOM 1184 C TYR A 71 -1.350 -10.408 3.806 1.00 1.00 C ATOM 1185 O TYR A 71 -1.950 -10.798 2.804 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.527 -8.218 4.194 1.00 1.00 C ATOM 1187 CG TYR A 71 -3.437 -7.418 5.097 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -4.804 -7.659 5.122 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -2.928 -6.433 5.932 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -5.638 -6.940 5.955 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -3.756 -5.709 6.767 1.00 1.00 C ATOM 1192 CZ TYR A 71 -5.109 -5.968 6.775 1.00 1.00 C ATOM 1193 OH TYR A 71 -5.936 -5.253 7.609 1.00 1.00 O ATOM 0 H TYR A 71 -0.538 -8.431 5.788 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.909 -10.075 5.205 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.662 -7.610 3.928 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -3.053 -8.447 3.267 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -5.221 -8.421 4.480 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -1.867 -6.230 5.929 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -6.700 -7.139 5.964 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -3.345 -4.944 7.410 1.00 1.00 H new ATOM 0 HH TYR A 71 -5.883 -5.621 8.516 1.00 1.00 H new ATOM 1203 N MET A 72 -0.082 -10.721 4.073 1.00 1.00 N ATOM 1204 CA MET A 72 0.705 -11.637 3.242 1.00 1.00 C ATOM 1205 C MET A 72 0.828 -11.139 1.802 1.00 1.00 C ATOM 1206 O MET A 72 0.934 -11.934 0.862 1.00 1.00 O ATOM 1207 CB MET A 72 0.093 -13.042 3.263 1.00 1.00 C ATOM 1208 CG MET A 72 0.043 -13.661 4.652 1.00 1.00 C ATOM 1209 SD MET A 72 -0.628 -15.336 4.648 1.00 1.00 S ATOM 1210 CE MET A 72 -2.241 -15.052 3.922 1.00 1.00 C ATOM 0 H MET A 72 0.430 -10.347 4.872 1.00 1.00 H new ATOM 0 HA MET A 72 1.708 -11.677 3.666 1.00 1.00 H new ATOM 0 HB2 MET A 72 -0.918 -12.996 2.858 1.00 1.00 H new ATOM 0 HB3 MET A 72 0.671 -13.691 2.605 1.00 1.00 H new ATOM 0 HG2 MET A 72 1.048 -13.678 5.073 1.00 1.00 H new ATOM 0 HG3 MET A 72 -0.565 -13.033 5.303 1.00 1.00 H new ATOM 0 HE1 MET A 72 -2.891 -15.900 4.138 1.00 1.00 H new ATOM 0 HE2 MET A 72 -2.675 -14.145 4.343 1.00 1.00 H new ATOM 0 HE3 MET A 72 -2.139 -14.938 2.843 1.00 1.00 H new ATOM 1220 N LEU A 73 0.834 -9.823 1.637 1.00 1.00 N ATOM 1221 CA LEU A 73 1.020 -9.222 0.324 1.00 1.00 C ATOM 1222 C LEU A 73 2.474 -9.376 -0.120 1.00 1.00 C ATOM 1223 O LEU A 73 3.378 -9.474 0.713 1.00 1.00 O ATOM 1224 CB LEU A 73 0.573 -7.754 0.340 1.00 1.00 C ATOM 1225 CG LEU A 73 1.007 -6.934 1.560 1.00 1.00 C ATOM 1226 CD1 LEU A 73 2.437 -6.445 1.416 1.00 1.00 C ATOM 1227 CD2 LEU A 73 0.059 -5.764 1.772 1.00 1.00 C ATOM 0 H LEU A 73 0.712 -9.152 2.396 1.00 1.00 H new ATOM 0 HA LEU A 73 0.396 -9.741 -0.404 1.00 1.00 H new ATOM 0 HB2 LEU A 73 0.958 -7.267 -0.556 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -0.515 -7.725 0.276 1.00 1.00 H new ATOM 0 HG LEU A 73 0.966 -7.582 2.435 1.00 1.00 H new ATOM 0 HD11 LEU A 73 2.714 -5.867 2.297 1.00 1.00 H new ATOM 0 HD12 LEU A 73 3.106 -7.300 1.318 1.00 1.00 H new ATOM 0 HD13 LEU A 73 2.519 -5.816 0.529 1.00 1.00 H new ATOM 0 HD21 LEU A 73 0.379 -5.190 2.642 1.00 1.00 H new ATOM 0 HD22 LEU A 73 0.069 -5.123 0.890 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -0.951 -6.139 1.936 1.00 1.00 H new ATOM 1239 N ARG A 74 2.696 -9.418 -1.425 1.00 1.00 N ATOM 1240 CA ARG A 74 4.009 -9.765 -1.952 1.00 1.00 C ATOM 1241 C ARG A 74 4.494 -8.787 -3.008 1.00 1.00 C ATOM 1242 O ARG A 74 3.835 -7.796 -3.319 1.00 1.00 O ATOM 1243 CB ARG A 74 3.968 -11.161 -2.564 1.00 1.00 C ATOM 1244 CG ARG A 74 2.975 -11.300 -3.707 1.00 1.00 C ATOM 1245 CD ARG A 74 2.979 -12.705 -4.282 1.00 1.00 C ATOM 1246 NE ARG A 74 4.311 -13.117 -4.726 1.00 1.00 N ATOM 1247 CZ ARG A 74 4.532 -14.120 -5.573 1.00 1.00 C ATOM 1248 NH1 ARG A 74 3.511 -14.782 -6.109 1.00 1.00 N ATOM 1249 NH2 ARG A 74 5.772 -14.463 -5.895 1.00 1.00 N ATOM 0 H ARG A 74 1.991 -9.218 -2.134 1.00 1.00 H new ATOM 0 HA ARG A 74 4.704 -9.727 -1.113 1.00 1.00 H new ATOM 0 HB2 ARG A 74 4.963 -11.418 -2.926 1.00 1.00 H new ATOM 0 HB3 ARG A 74 3.716 -11.882 -1.786 1.00 1.00 H new ATOM 0 HG2 ARG A 74 1.974 -11.054 -3.352 1.00 1.00 H new ATOM 0 HG3 ARG A 74 3.220 -10.584 -4.492 1.00 1.00 H new ATOM 0 HD2 ARG A 74 2.616 -13.405 -3.529 1.00 1.00 H new ATOM 0 HD3 ARG A 74 2.287 -12.754 -5.122 1.00 1.00 H new ATOM 0 HE ARG A 74 5.117 -12.606 -4.366 1.00 1.00 H new ATOM 0 HH11 ARG A 74 2.554 -14.522 -5.872 1.00 1.00 H new ATOM 0 HH12 ARG A 74 3.685 -15.550 -6.758 1.00 1.00 H new ATOM 0 HH21 ARG A 74 6.562 -13.958 -5.493 1.00 1.00 H new ATOM 0 HH22 ARG A 74 5.936 -15.232 -6.544 1.00 1.00 H new ATOM 1263 N ASN A 75 5.655 -9.100 -3.564 1.00 1.00 N ATOM 1264 CA ASN A 75 6.237 -8.325 -4.649 1.00 1.00 C ATOM 1265 C ASN A 75 5.491 -8.629 -5.935 1.00 1.00 C ATOM 1266 O ASN A 75 5.556 -9.744 -6.455 1.00 1.00 O ATOM 1267 CB ASN A 75 7.727 -8.645 -4.816 1.00 1.00 C ATOM 1268 CG ASN A 75 8.544 -8.293 -3.586 1.00 1.00 C ATOM 1269 OD1 ASN A 75 8.063 -8.375 -2.461 1.00 1.00 O ATOM 1270 ND2 ASN A 75 9.783 -7.880 -3.789 1.00 1.00 N ATOM 0 H ASN A 75 6.220 -9.899 -3.275 1.00 1.00 H new ATOM 0 HA ASN A 75 6.147 -7.265 -4.412 1.00 1.00 H new ATOM 0 HB2 ASN A 75 7.844 -9.707 -5.033 1.00 1.00 H new ATOM 0 HB3 ASN A 75 8.117 -8.099 -5.675 1.00 1.00 H new ATOM 0 HD21 ASN A 75 10.370 -7.618 -2.997 1.00 1.00 H new ATOM 0 HD22 ASN A 75 10.153 -7.823 -4.738 1.00 1.00 H new ATOM 1277 N GLY A 76 4.773 -7.640 -6.430 1.00 1.00 N ATOM 1278 CA GLY A 76 3.930 -7.836 -7.585 1.00 1.00 C ATOM 1279 C GLY A 76 2.467 -7.698 -7.227 1.00 1.00 C ATOM 1280 O GLY A 76 1.611 -7.606 -8.107 1.00 1.00 O ATOM 0 H GLY A 76 4.759 -6.694 -6.048 1.00 1.00 H new ATOM 0 HA2 GLY A 76 4.189 -7.108 -8.354 1.00 1.00 H new ATOM 0 HA3 GLY A 76 4.112 -8.824 -8.007 1.00 1.00 H new ATOM 1284 N ASP A 77 2.186 -7.684 -5.924 1.00 1.00 N ATOM 1285 CA ASP A 77 0.819 -7.536 -5.424 1.00 1.00 C ATOM 1286 C ASP A 77 0.267 -6.163 -5.777 1.00 1.00 C ATOM 1287 O ASP A 77 1.023 -5.204 -5.921 1.00 1.00 O ATOM 1288 CB ASP A 77 0.776 -7.714 -3.906 1.00 1.00 C ATOM 1289 CG ASP A 77 -0.218 -8.771 -3.469 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -1.396 -8.687 -3.866 1.00 1.00 O ATOM 1291 OD2 ASP A 77 0.178 -9.698 -2.732 1.00 1.00 O ATOM 0 H ASP A 77 2.891 -7.774 -5.192 1.00 1.00 H new ATOM 0 HA ASP A 77 0.208 -8.306 -5.895 1.00 1.00 H new ATOM 0 HB2 ASP A 77 1.769 -7.985 -3.548 1.00 1.00 H new ATOM 0 HB3 ASP A 77 0.517 -6.763 -3.440 1.00 1.00 H new ATOM 1296 N THR A 78 -1.044 -6.066 -5.906 1.00 1.00 N ATOM 1297 CA THR A 78 -1.679 -4.803 -6.235 1.00 1.00 C ATOM 1298 C THR A 78 -2.522 -4.301 -5.066 1.00 1.00 C ATOM 1299 O THR A 78 -3.356 -5.032 -4.529 1.00 1.00 O ATOM 1300 CB THR A 78 -2.571 -4.934 -7.487 1.00 1.00 C ATOM 1301 OG1 THR A 78 -1.812 -5.484 -8.575 1.00 1.00 O ATOM 1302 CG2 THR A 78 -3.138 -3.583 -7.899 1.00 1.00 C ATOM 0 H THR A 78 -1.690 -6.847 -5.788 1.00 1.00 H new ATOM 0 HA THR A 78 -0.885 -4.086 -6.443 1.00 1.00 H new ATOM 0 HB THR A 78 -3.399 -5.599 -7.242 1.00 1.00 H new ATOM 0 HG1 THR A 78 -2.385 -5.566 -9.366 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.763 -3.705 -8.784 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.738 -3.177 -7.085 1.00 1.00 H new ATOM 0 HG23 THR A 78 -2.320 -2.898 -8.124 1.00 1.00 H new ATOM 1310 N MET A 79 -2.283 -3.066 -4.659 1.00 1.00 N ATOM 1311 CA MET A 79 -3.116 -2.414 -3.666 1.00 1.00 C ATOM 1312 C MET A 79 -3.600 -1.084 -4.201 1.00 1.00 C ATOM 1313 O MET A 79 -2.821 -0.296 -4.727 1.00 1.00 O ATOM 1314 CB MET A 79 -2.376 -2.183 -2.350 1.00 1.00 C ATOM 1315 CG MET A 79 -2.015 -3.456 -1.608 1.00 1.00 C ATOM 1316 SD MET A 79 -1.736 -3.173 0.149 1.00 1.00 S ATOM 1317 CE MET A 79 -0.514 -1.870 0.084 1.00 1.00 C ATOM 0 H MET A 79 -1.513 -2.492 -5.004 1.00 1.00 H new ATOM 0 HA MET A 79 -3.958 -3.076 -3.465 1.00 1.00 H new ATOM 0 HB2 MET A 79 -1.463 -1.623 -2.553 1.00 1.00 H new ATOM 0 HB3 MET A 79 -2.994 -1.561 -1.703 1.00 1.00 H new ATOM 0 HG2 MET A 79 -2.815 -4.185 -1.733 1.00 1.00 H new ATOM 0 HG3 MET A 79 -1.118 -3.889 -2.050 1.00 1.00 H new ATOM 0 HE1 MET A 79 0.067 -1.869 1.006 1.00 1.00 H new ATOM 0 HE2 MET A 79 0.151 -2.037 -0.763 1.00 1.00 H new ATOM 0 HE3 MET A 79 -1.014 -0.908 -0.031 1.00 1.00 H new ATOM 1327 N GLU A 80 -4.880 -0.839 -4.069 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.457 0.400 -4.528 1.00 1.00 C ATOM 1329 C GLU A 80 -5.534 1.406 -3.393 1.00 1.00 C ATOM 1330 O GLU A 80 -6.313 1.241 -2.455 1.00 1.00 O ATOM 1331 CB GLU A 80 -6.844 0.151 -5.113 1.00 1.00 C ATOM 1332 CG GLU A 80 -6.821 -0.664 -6.393 1.00 1.00 C ATOM 1333 CD GLU A 80 -8.203 -1.073 -6.842 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -8.984 -0.188 -7.253 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -8.521 -2.278 -6.776 1.00 1.00 O ATOM 0 H GLU A 80 -5.545 -1.485 -3.645 1.00 1.00 H new ATOM 0 HA GLU A 80 -4.817 0.812 -5.308 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -7.455 -0.366 -4.373 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.325 1.109 -5.310 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -6.343 -0.083 -7.182 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -6.213 -1.556 -6.241 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.693 2.423 -3.460 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.802 3.549 -2.554 1.00 1.00 C ATOM 1344 C TYR A 81 -5.971 4.410 -3.015 1.00 1.00 C ATOM 1345 O TYR A 81 -5.877 5.128 -4.009 1.00 1.00 O ATOM 1346 CB TYR A 81 -3.501 4.365 -2.538 1.00 1.00 C ATOM 1347 CG TYR A 81 -3.482 5.497 -1.536 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -4.048 6.730 -1.831 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -2.883 5.332 -0.296 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -4.018 7.766 -0.919 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -2.848 6.362 0.623 1.00 1.00 C ATOM 1352 CZ TYR A 81 -3.417 7.577 0.308 1.00 1.00 C ATOM 1353 OH TYR A 81 -3.383 8.607 1.221 1.00 1.00 O ATOM 0 H TYR A 81 -3.929 2.491 -4.132 1.00 1.00 H new ATOM 0 HA TYR A 81 -4.974 3.195 -1.538 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.669 3.694 -2.325 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -3.332 4.775 -3.534 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -4.520 6.881 -2.791 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -2.436 4.381 -0.045 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -4.463 8.719 -1.165 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -2.377 6.216 1.584 1.00 1.00 H new ATOM 0 HH TYR A 81 -2.925 8.308 2.034 1.00 1.00 H new ATOM 1363 N ARG A 82 -7.077 4.309 -2.305 1.00 1.00 N ATOM 1364 CA ARG A 82 -8.318 4.938 -2.726 1.00 1.00 C ATOM 1365 C ARG A 82 -9.135 5.345 -1.514 1.00 1.00 C ATOM 1366 O ARG A 82 -8.830 4.940 -0.393 1.00 1.00 O ATOM 1367 CB ARG A 82 -9.117 3.966 -3.604 1.00 1.00 C ATOM 1368 CG ARG A 82 -9.316 2.606 -2.952 1.00 1.00 C ATOM 1369 CD ARG A 82 -9.748 1.541 -3.946 1.00 1.00 C ATOM 1370 NE ARG A 82 -11.176 1.584 -4.251 1.00 1.00 N ATOM 1371 CZ ARG A 82 -11.827 0.577 -4.835 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -11.164 -0.510 -5.214 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -13.131 0.660 -5.051 1.00 1.00 N ATOM 0 H ARG A 82 -7.144 3.794 -1.427 1.00 1.00 H new ATOM 0 HA ARG A 82 -8.088 5.833 -3.305 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -10.091 4.402 -3.827 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -8.601 3.835 -4.555 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -8.387 2.296 -2.474 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -10.066 2.690 -2.166 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -9.182 1.664 -4.869 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -9.498 0.558 -3.547 1.00 1.00 H new ATOM 0 HE ARG A 82 -11.700 2.424 -4.006 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -10.158 -0.574 -5.058 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -11.661 -1.281 -5.661 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -13.642 1.497 -4.770 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -13.624 -0.113 -5.498 1.00 1.00 H new ATOM 1387 N LYS A 83 -10.157 6.154 -1.741 1.00 1.00 N ATOM 1388 CA LYS A 83 -11.054 6.571 -0.677 1.00 1.00 C ATOM 1389 C LYS A 83 -11.778 5.353 -0.119 1.00 1.00 C ATOM 1390 O LYS A 83 -12.256 4.514 -0.884 1.00 1.00 O ATOM 1391 CB LYS A 83 -12.061 7.583 -1.222 1.00 1.00 C ATOM 1392 CG LYS A 83 -12.918 8.255 -0.165 1.00 1.00 C ATOM 1393 CD LYS A 83 -14.057 9.021 -0.820 1.00 1.00 C ATOM 1394 CE LYS A 83 -14.805 9.899 0.164 1.00 1.00 C ATOM 1395 NZ LYS A 83 -14.020 11.101 0.537 1.00 1.00 N ATOM 0 H LYS A 83 -10.386 6.537 -2.658 1.00 1.00 H new ATOM 0 HA LYS A 83 -10.482 7.041 0.123 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -11.521 8.351 -1.775 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -12.714 7.078 -1.934 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -13.319 7.506 0.518 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -12.308 8.935 0.430 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -13.660 9.639 -1.625 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -14.752 8.315 -1.274 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -15.755 10.207 -0.273 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -15.037 9.324 1.060 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -14.372 11.480 1.439 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -13.017 10.843 0.638 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -14.119 11.824 -0.204 1.00 1.00 H new ATOM 1409 N LYS A 84 -11.832 5.241 1.201 1.00 1.00 N ATOM 1410 CA LYS A 84 -12.493 4.105 1.836 1.00 1.00 C ATOM 1411 C LYS A 84 -13.967 4.059 1.452 1.00 1.00 C ATOM 1412 O LYS A 84 -14.719 5.002 1.708 1.00 1.00 O ATOM 1413 CB LYS A 84 -12.349 4.162 3.358 1.00 1.00 C ATOM 1414 CG LYS A 84 -10.907 4.136 3.836 1.00 1.00 C ATOM 1415 CD LYS A 84 -10.807 4.083 5.356 1.00 1.00 C ATOM 1416 CE LYS A 84 -10.930 2.660 5.900 1.00 1.00 C ATOM 1417 NZ LYS A 84 -12.298 2.090 5.749 1.00 1.00 N ATOM 0 H LYS A 84 -11.430 5.917 1.851 1.00 1.00 H new ATOM 0 HA LYS A 84 -12.007 3.197 1.480 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -12.828 5.069 3.726 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -12.883 3.319 3.797 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -10.400 3.271 3.410 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -10.388 5.022 3.470 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -9.853 4.507 5.669 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -11.590 4.704 5.791 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -10.217 2.018 5.384 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -10.656 2.656 6.955 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -12.461 1.378 6.489 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -13.002 2.850 5.838 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -12.387 1.644 4.814 1.00 1.00 H new ATOM 1431 N GLN A 85 -14.362 2.968 0.816 1.00 1.00 N ATOM 1432 CA GLN A 85 -15.736 2.784 0.382 1.00 1.00 C ATOM 1433 C GLN A 85 -16.406 1.716 1.235 1.00 1.00 C ATOM 1434 O GLN A 85 -17.305 2.066 2.027 1.00 1.00 O ATOM 1435 CB GLN A 85 -15.788 2.384 -1.094 1.00 1.00 C ATOM 1436 CG GLN A 85 -15.062 3.346 -2.021 1.00 1.00 C ATOM 1437 CD GLN A 85 -15.032 2.861 -3.458 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -14.085 3.129 -4.200 1.00 1.00 O ATOM 1439 NE2 GLN A 85 -16.069 2.145 -3.866 1.00 1.00 N ATOM 1440 OXT GLN A 85 -16.002 0.539 1.134 1.00 1.00 O ATOM 0 H GLN A 85 -13.743 2.190 0.588 1.00 1.00 H new ATOM 0 HA GLN A 85 -16.268 3.728 0.501 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -15.354 1.390 -1.206 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -16.831 2.314 -1.404 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -15.549 4.321 -1.980 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -14.041 3.485 -1.667 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -16.834 1.943 -3.223 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -16.102 1.795 -4.824 1.00 1.00 H new TER 1449 GLN A 85