USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 869 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 1 MET CE :methyl -175:sc= -0.177 (180deg=-0.308) USER MOD Single : A 1 MET N :NH3+ -101:sc= 0.159 (180deg=0) USER MOD Single : A 8 SER OG : rot -134:sc= 0.635 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -51:sc= 0.0769 USER MOD Single : A 15 SER OG : rot -80:sc= 0.316 USER MOD Single : A 16 MET CE :methyl -122:sc= -0.118 (180deg=-0.685) USER MOD Single : A 18 SER OG : rot 180:sc=-0.00997 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.378 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0234 K(o=-0.023,f=-3.8!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -1.05 K(o=-1,f=-0.26) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0833) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 100:sc= -0.205 USER MOD Single : A 70 ASN : amide:sc= 0.334 X(o=0.33,f=-0.14) USER MOD Single : A 74 ASN : amide:sc= -0.611 K(o=-0.61,f=-3.1!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -119:sc= -0.902 (180deg=-2.6!) USER MOD Single : A 85 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0278) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 102 SER OG : rot -72:sc= 1.21 USER MOD Single : A 110 THR OG1 : rot 180:sc=-0.00841 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.237 -2.871 12.322 1.00 0.00 N ATOM 2 CA MET A 1 12.556 -3.614 11.252 1.00 0.00 C ATOM 3 C MET A 1 11.289 -2.849 10.885 1.00 0.00 C ATOM 4 O MET A 1 10.792 -2.072 11.703 1.00 0.00 O ATOM 5 CB MET A 1 12.244 -5.036 11.745 1.00 0.00 C ATOM 6 CG MET A 1 11.735 -6.030 10.695 1.00 0.00 C ATOM 7 SD MET A 1 11.084 -7.584 11.375 1.00 0.00 S ATOM 8 CE MET A 1 12.371 -8.067 12.555 1.00 0.00 C ATOM 0 H1 MET A 1 14.025 -2.326 11.919 1.00 0.00 H new ATOM 0 H2 MET A 1 12.564 -2.222 12.776 1.00 0.00 H new ATOM 0 H3 MET A 1 13.604 -3.539 13.029 1.00 0.00 H new ATOM 0 HA MET A 1 13.183 -3.704 10.365 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.148 -5.447 12.193 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.499 -4.966 12.537 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.952 -5.549 10.109 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.550 -6.262 10.009 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.134 -9.046 12.971 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.333 -8.113 12.045 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.421 -7.333 13.359 1.00 0.00 H new ATOM 18 N ALA A 2 10.752 -3.053 9.681 1.00 0.00 N ATOM 19 CA ALA A 2 9.313 -3.141 9.481 1.00 0.00 C ATOM 20 C ALA A 2 9.029 -3.898 8.188 1.00 0.00 C ATOM 21 O ALA A 2 9.972 -4.178 7.444 1.00 0.00 O ATOM 22 CB ALA A 2 8.646 -1.764 9.414 1.00 0.00 C ATOM 0 H ALA A 2 11.300 -3.160 8.827 1.00 0.00 H new ATOM 0 HA ALA A 2 8.896 -3.668 10.339 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.573 -1.886 9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.823 -1.228 10.347 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.066 -1.196 8.584 1.00 0.00 H new ATOM 28 N ARG A 3 7.753 -4.131 7.856 1.00 0.00 N ATOM 29 CA ARG A 3 7.352 -4.367 6.465 1.00 0.00 C ATOM 30 C ARG A 3 6.461 -3.232 5.991 1.00 0.00 C ATOM 31 O ARG A 3 5.510 -2.871 6.683 1.00 0.00 O ATOM 32 CB ARG A 3 6.717 -5.759 6.303 1.00 0.00 C ATOM 33 CG ARG A 3 7.847 -6.758 5.993 1.00 0.00 C ATOM 34 CD ARG A 3 7.636 -8.219 6.403 1.00 0.00 C ATOM 35 NE ARG A 3 7.298 -9.169 5.323 1.00 0.00 N ATOM 36 CZ ARG A 3 6.904 -10.440 5.533 1.00 0.00 C ATOM 37 NH1 ARG A 3 6.668 -10.898 6.763 1.00 0.00 N ATOM 38 NH2 ARG A 3 6.727 -11.278 4.518 1.00 0.00 N ATOM 0 H ARG A 3 6.986 -4.161 8.527 1.00 0.00 H new ATOM 0 HA ARG A 3 8.232 -4.371 5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.191 -6.047 7.213 1.00 0.00 H new ATOM 0 HB3 ARG A 3 5.982 -5.752 5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.031 -6.734 4.919 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.754 -6.400 6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.545 -8.570 6.893 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.840 -8.252 7.147 1.00 0.00 H new ATOM 0 HE ARG A 3 7.367 -8.842 4.359 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.785 -10.282 7.568 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.370 -11.864 6.899 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.890 -10.962 3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.428 -12.237 4.695 1.00 0.00 H new ATOM 52 N VAL A 4 6.777 -2.662 4.827 1.00 0.00 N ATOM 53 CA VAL A 4 6.038 -1.587 4.176 1.00 0.00 C ATOM 54 C VAL A 4 5.484 -2.138 2.881 1.00 0.00 C ATOM 55 O VAL A 4 6.218 -2.838 2.186 1.00 0.00 O ATOM 56 CB VAL A 4 6.962 -0.356 4.014 1.00 0.00 C ATOM 57 CG1 VAL A 4 8.086 -0.376 3.012 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.190 0.950 3.781 1.00 0.00 C ATOM 0 H VAL A 4 7.594 -2.953 4.290 1.00 0.00 H new ATOM 0 HA VAL A 4 5.192 -1.236 4.766 1.00 0.00 H new ATOM 0 HB VAL A 4 7.446 -0.414 4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.620 0.574 3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.773 -1.187 3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.680 -0.529 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.894 1.775 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.594 0.863 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.533 1.140 4.629 1.00 0.00 H new ATOM 68 N ALA A 5 4.207 -1.887 2.561 1.00 0.00 N ATOM 69 CA ALA A 5 3.631 -2.436 1.347 1.00 0.00 C ATOM 70 C ALA A 5 3.385 -1.271 0.397 1.00 0.00 C ATOM 71 O ALA A 5 3.032 -0.174 0.835 1.00 0.00 O ATOM 72 CB ALA A 5 2.368 -3.208 1.695 1.00 0.00 C ATOM 0 H ALA A 5 3.572 -1.318 3.120 1.00 0.00 H new ATOM 0 HA ALA A 5 4.296 -3.145 0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.932 -3.622 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.614 -4.019 2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.651 -2.538 2.168 1.00 0.00 H new ATOM 78 N ILE A 6 3.568 -1.468 -0.901 1.00 0.00 N ATOM 79 CA ILE A 6 3.413 -0.419 -1.896 1.00 0.00 C ATOM 80 C ILE A 6 2.474 -0.963 -2.983 1.00 0.00 C ATOM 81 O ILE A 6 2.747 -2.032 -3.533 1.00 0.00 O ATOM 82 CB ILE A 6 4.782 0.079 -2.399 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.691 0.557 -1.246 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.584 1.233 -3.392 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.645 -0.518 -0.710 1.00 0.00 C ATOM 0 H ILE A 6 3.831 -2.371 -1.296 1.00 0.00 H new ATOM 0 HA ILE A 6 2.956 0.478 -1.479 1.00 0.00 H new ATOM 0 HB ILE A 6 5.272 -0.764 -2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.278 1.409 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.065 0.912 -0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.555 1.581 -3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.994 0.886 -4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.062 2.053 -2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.247 -0.100 0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.067 -1.362 -0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.299 -0.857 -1.513 1.00 0.00 H new ATOM 97 N PRO A 7 1.330 -0.298 -3.228 1.00 0.00 N ATOM 98 CA PRO A 7 0.329 -0.672 -4.202 1.00 0.00 C ATOM 99 C PRO A 7 0.870 -0.373 -5.596 1.00 0.00 C ATOM 100 O PRO A 7 1.031 0.792 -5.949 1.00 0.00 O ATOM 101 CB PRO A 7 -0.893 0.186 -3.856 1.00 0.00 C ATOM 102 CG PRO A 7 -0.366 1.414 -3.139 1.00 0.00 C ATOM 103 CD PRO A 7 0.983 0.978 -2.645 1.00 0.00 C ATOM 0 HA PRO A 7 0.068 -1.730 -4.187 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.438 0.467 -4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.588 -0.365 -3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.291 2.269 -3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.018 1.710 -2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.734 1.723 -2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.975 0.901 -1.558 1.00 0.00 H new ATOM 111 N SER A 8 1.144 -1.404 -6.378 1.00 0.00 N ATOM 112 CA SER A 8 1.699 -1.331 -7.715 1.00 0.00 C ATOM 113 C SER A 8 0.644 -1.812 -8.722 1.00 0.00 C ATOM 114 O SER A 8 -0.393 -2.379 -8.355 1.00 0.00 O ATOM 115 CB SER A 8 2.950 -2.219 -7.719 1.00 0.00 C ATOM 116 OG SER A 8 3.558 -2.306 -8.984 1.00 0.00 O ATOM 0 H SER A 8 0.975 -2.365 -6.079 1.00 0.00 H new ATOM 0 HA SER A 8 1.973 -0.315 -8.000 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.670 -1.825 -7.002 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.680 -3.220 -7.382 1.00 0.00 H new ATOM 0 HG SER A 8 3.772 -3.242 -9.180 1.00 0.00 H new ATOM 122 N VAL A 9 0.938 -1.630 -10.007 1.00 0.00 N ATOM 123 CA VAL A 9 0.203 -2.207 -11.127 1.00 0.00 C ATOM 124 C VAL A 9 1.164 -2.999 -12.032 1.00 0.00 C ATOM 125 O VAL A 9 1.047 -2.988 -13.259 1.00 0.00 O ATOM 126 CB VAL A 9 -0.626 -1.116 -11.838 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.605 -0.474 -10.849 1.00 0.00 C ATOM 128 CG2 VAL A 9 0.194 0.027 -12.460 1.00 0.00 C ATOM 0 H VAL A 9 1.725 -1.054 -10.307 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.530 -2.935 -10.779 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.126 -1.643 -12.651 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.186 0.295 -11.359 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.278 -1.236 -10.456 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.049 -0.023 -10.027 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.479 0.741 -12.935 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.766 0.530 -11.681 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.877 -0.379 -13.206 1.00 0.00 H new ATOM 138 N GLY A 10 2.110 -3.716 -11.422 1.00 0.00 N ATOM 139 CA GLY A 10 2.978 -4.695 -12.062 1.00 0.00 C ATOM 140 C GLY A 10 3.984 -5.244 -11.048 1.00 0.00 C ATOM 141 O GLY A 10 3.908 -4.922 -9.856 1.00 0.00 O ATOM 0 H GLY A 10 2.297 -3.623 -10.424 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.381 -5.510 -12.472 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.506 -4.235 -12.897 1.00 0.00 H new ATOM 145 N LYS A 11 4.922 -6.070 -11.514 1.00 0.00 N ATOM 146 CA LYS A 11 5.823 -6.870 -10.689 1.00 0.00 C ATOM 147 C LYS A 11 7.261 -6.402 -10.905 1.00 0.00 C ATOM 148 O LYS A 11 8.186 -7.216 -10.921 1.00 0.00 O ATOM 149 CB LYS A 11 5.671 -8.355 -11.077 1.00 0.00 C ATOM 150 CG LYS A 11 4.332 -9.002 -10.829 1.00 0.00 C ATOM 151 CD LYS A 11 4.305 -10.392 -11.480 1.00 0.00 C ATOM 152 CE LYS A 11 3.813 -10.301 -12.926 1.00 0.00 C ATOM 153 NZ LYS A 11 3.889 -11.606 -13.603 1.00 0.00 N ATOM 0 H LYS A 11 5.079 -6.204 -12.513 1.00 0.00 H new ATOM 0 HA LYS A 11 5.574 -6.750 -9.634 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.901 -8.451 -12.138 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.426 -8.924 -10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.151 -9.087 -9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.535 -8.381 -11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.303 -10.830 -11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.653 -11.054 -10.910 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.784 -9.942 -12.940 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.413 -9.572 -13.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.548 -11.510 -14.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.875 -11.936 -13.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.297 -12.295 -13.096 1.00 0.00 H new ATOM 167 N ASP A 12 7.460 -5.093 -11.033 1.00 0.00 N ATOM 168 CA ASP A 12 8.761 -4.464 -11.162 1.00 0.00 C ATOM 169 C ASP A 12 8.872 -3.426 -10.059 1.00 0.00 C ATOM 170 O ASP A 12 7.899 -2.752 -9.715 1.00 0.00 O ATOM 171 CB ASP A 12 8.934 -3.787 -12.531 1.00 0.00 C ATOM 172 CG ASP A 12 8.897 -4.698 -13.753 1.00 0.00 C ATOM 173 OD1 ASP A 12 9.689 -5.658 -13.826 1.00 0.00 O ATOM 174 OD2 ASP A 12 8.121 -4.418 -14.706 1.00 0.00 O ATOM 0 H ASP A 12 6.691 -4.423 -11.050 1.00 0.00 H new ATOM 0 HA ASP A 12 9.541 -5.221 -11.079 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.151 -3.037 -12.641 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.886 -3.256 -12.531 1.00 0.00 H new ATOM 179 N LEU A 13 10.096 -3.191 -9.585 1.00 0.00 N ATOM 180 CA LEU A 13 10.418 -2.069 -8.703 1.00 0.00 C ATOM 181 C LEU A 13 10.333 -0.728 -9.468 1.00 0.00 C ATOM 182 O LEU A 13 10.557 0.350 -8.928 1.00 0.00 O ATOM 183 CB LEU A 13 11.789 -2.344 -8.052 1.00 0.00 C ATOM 184 CG LEU A 13 12.042 -1.857 -6.608 1.00 0.00 C ATOM 185 CD1 LEU A 13 11.915 -0.348 -6.452 1.00 0.00 C ATOM 186 CD2 LEU A 13 11.165 -2.572 -5.575 1.00 0.00 C ATOM 0 H LEU A 13 10.899 -3.780 -9.805 1.00 0.00 H new ATOM 0 HA LEU A 13 9.688 -1.976 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.952 -3.422 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.552 -1.896 -8.689 1.00 0.00 H new ATOM 0 HG LEU A 13 13.080 -2.122 -6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.105 -0.072 -5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.641 0.147 -7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.909 -0.037 -6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.388 -2.187 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.114 -2.395 -5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.368 -3.643 -5.604 1.00 0.00 H new ATOM 198 N SER A 14 9.953 -0.768 -10.742 1.00 0.00 N ATOM 199 CA SER A 14 9.607 0.386 -11.543 1.00 0.00 C ATOM 200 C SER A 14 8.315 0.080 -12.299 1.00 0.00 C ATOM 201 O SER A 14 8.155 0.484 -13.453 1.00 0.00 O ATOM 202 CB SER A 14 10.754 0.586 -12.517 1.00 0.00 C ATOM 203 OG SER A 14 10.730 1.823 -13.194 1.00 0.00 O ATOM 0 H SER A 14 9.877 -1.644 -11.259 1.00 0.00 H new ATOM 0 HA SER A 14 9.453 1.281 -10.941 1.00 0.00 H new ATOM 0 HB2 SER A 14 11.695 0.500 -11.974 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.735 -0.218 -13.253 1.00 0.00 H new ATOM 0 HG SER A 14 9.844 1.962 -13.589 1.00 0.00 H new ATOM 209 N SER A 15 7.367 -0.612 -11.670 1.00 0.00 N ATOM 210 CA SER A 15 6.002 -0.541 -12.143 1.00 0.00 C ATOM 211 C SER A 15 5.398 0.762 -11.604 1.00 0.00 C ATOM 212 O SER A 15 5.979 1.381 -10.712 1.00 0.00 O ATOM 213 CB SER A 15 5.206 -1.734 -11.612 1.00 0.00 C ATOM 214 OG SER A 15 5.708 -2.963 -12.084 1.00 0.00 O ATOM 0 H SER A 15 7.519 -1.209 -10.857 1.00 0.00 H new ATOM 0 HA SER A 15 5.971 -0.563 -13.232 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.230 -1.728 -10.522 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.162 -1.632 -11.908 1.00 0.00 H new ATOM 0 HG SER A 15 5.382 -3.121 -12.995 1.00 0.00 H new ATOM 220 N MET A 16 4.209 1.161 -12.050 1.00 0.00 N ATOM 221 CA MET A 16 3.576 2.369 -11.523 1.00 0.00 C ATOM 222 C MET A 16 2.956 2.050 -10.162 1.00 0.00 C ATOM 223 O MET A 16 2.372 0.979 -9.982 1.00 0.00 O ATOM 224 CB MET A 16 2.478 2.836 -12.492 1.00 0.00 C ATOM 225 CG MET A 16 2.949 3.950 -13.436 1.00 0.00 C ATOM 226 SD MET A 16 1.801 5.350 -13.497 1.00 0.00 S ATOM 227 CE MET A 16 2.007 5.934 -11.789 1.00 0.00 C ATOM 0 H MET A 16 3.670 0.673 -12.766 1.00 0.00 H new ATOM 0 HA MET A 16 4.319 3.159 -11.414 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.137 1.986 -13.083 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.621 3.190 -11.919 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.929 4.303 -13.114 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.071 3.542 -14.439 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.041 5.929 -11.284 1.00 0.00 H new ATOM 0 HE2 MET A 16 2.696 5.276 -11.260 1.00 0.00 H new ATOM 0 HE3 MET A 16 2.407 6.948 -11.797 1.00 0.00 H new ATOM 237 N VAL A 17 3.081 2.977 -9.209 1.00 0.00 N ATOM 238 CA VAL A 17 2.326 2.929 -7.958 1.00 0.00 C ATOM 239 C VAL A 17 0.903 3.391 -8.269 1.00 0.00 C ATOM 240 O VAL A 17 0.663 4.197 -9.169 1.00 0.00 O ATOM 241 CB VAL A 17 3.038 3.738 -6.845 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.324 3.876 -5.493 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.347 3.038 -6.530 1.00 0.00 C ATOM 0 H VAL A 17 3.707 3.779 -9.284 1.00 0.00 H new ATOM 0 HA VAL A 17 2.273 1.917 -7.556 1.00 0.00 H new ATOM 0 HB VAL A 17 3.108 4.743 -7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.940 4.466 -4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.365 4.373 -5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.160 2.887 -5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.873 3.585 -5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.144 2.023 -6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.966 3.003 -7.427 1.00 0.00 H new ATOM 253 N SER A 18 -0.065 2.840 -7.550 1.00 0.00 N ATOM 254 CA SER A 18 -1.471 2.984 -7.855 1.00 0.00 C ATOM 255 C SER A 18 -2.108 3.864 -6.792 1.00 0.00 C ATOM 256 O SER A 18 -1.874 3.660 -5.597 1.00 0.00 O ATOM 257 CB SER A 18 -2.080 1.586 -7.919 1.00 0.00 C ATOM 258 OG SER A 18 -3.252 1.599 -8.711 1.00 0.00 O ATOM 0 H SER A 18 0.115 2.270 -6.723 1.00 0.00 H new ATOM 0 HA SER A 18 -1.642 3.468 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.357 0.886 -8.338 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.316 1.238 -6.913 1.00 0.00 H new ATOM 0 HG SER A 18 -3.633 0.697 -8.746 1.00 0.00 H new ATOM 264 N ASP A 19 -2.921 4.843 -7.194 1.00 0.00 N ATOM 265 CA ASP A 19 -3.455 5.850 -6.273 1.00 0.00 C ATOM 266 C ASP A 19 -4.674 5.295 -5.497 1.00 0.00 C ATOM 267 O ASP A 19 -5.680 5.986 -5.300 1.00 0.00 O ATOM 268 CB ASP A 19 -3.891 7.131 -7.014 1.00 0.00 C ATOM 269 CG ASP A 19 -3.018 7.542 -8.190 1.00 0.00 C ATOM 270 OD1 ASP A 19 -3.309 6.999 -9.283 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.122 8.394 -8.032 1.00 0.00 O ATOM 0 H ASP A 19 -3.226 4.960 -8.160 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.650 6.096 -5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.911 6.992 -7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.915 7.953 -6.298 1.00 0.00 H new ATOM 276 N ARG A 20 -4.643 4.020 -5.106 1.00 0.00 N ATOM 277 CA ARG A 20 -5.807 3.256 -4.676 1.00 0.00 C ATOM 278 C ARG A 20 -5.308 1.973 -4.023 1.00 0.00 C ATOM 279 O ARG A 20 -5.234 0.948 -4.689 1.00 0.00 O ATOM 280 CB ARG A 20 -6.729 2.918 -5.887 1.00 0.00 C ATOM 281 CG ARG A 20 -5.988 2.747 -7.233 1.00 0.00 C ATOM 282 CD ARG A 20 -6.881 2.221 -8.363 1.00 0.00 C ATOM 283 NE ARG A 20 -7.313 3.280 -9.291 1.00 0.00 N ATOM 284 CZ ARG A 20 -8.325 3.161 -10.154 1.00 0.00 C ATOM 285 NH1 ARG A 20 -8.939 2.000 -10.307 1.00 0.00 N ATOM 286 NH2 ARG A 20 -8.737 4.199 -10.872 1.00 0.00 N ATOM 0 H ARG A 20 -3.780 3.478 -5.080 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.394 3.843 -3.970 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.273 1.999 -5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.471 3.709 -5.994 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.567 3.707 -7.531 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.152 2.062 -7.093 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.341 1.455 -8.920 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.760 1.742 -7.932 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.805 4.164 -9.273 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.640 1.190 -9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.711 1.915 -10.968 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.279 5.104 -10.769 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.512 4.091 -11.527 1.00 0.00 H new ATOM 300 N PHE A 21 -5.008 1.983 -2.724 1.00 0.00 N ATOM 301 CA PHE A 21 -4.566 0.781 -2.026 1.00 0.00 C ATOM 302 C PHE A 21 -5.460 -0.433 -2.309 1.00 0.00 C ATOM 303 O PHE A 21 -4.958 -1.475 -2.709 1.00 0.00 O ATOM 304 CB PHE A 21 -4.495 1.070 -0.523 1.00 0.00 C ATOM 305 CG PHE A 21 -4.348 -0.159 0.343 1.00 0.00 C ATOM 306 CD1 PHE A 21 -3.383 -1.119 0.010 1.00 0.00 C ATOM 307 CD2 PHE A 21 -5.190 -0.370 1.450 1.00 0.00 C ATOM 308 CE1 PHE A 21 -3.288 -2.303 0.746 1.00 0.00 C ATOM 309 CE2 PHE A 21 -5.064 -1.542 2.215 1.00 0.00 C ATOM 310 CZ PHE A 21 -4.110 -2.510 1.864 1.00 0.00 C ATOM 0 H PHE A 21 -5.064 2.814 -2.135 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.576 0.520 -2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.653 1.736 -0.333 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.398 1.604 -0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.711 -0.943 -0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.933 0.369 1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.578 -3.062 0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.701 -1.698 3.073 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.009 -3.410 2.452 1.00 0.00 H new ATOM 320 N ALA A 22 -6.775 -0.304 -2.110 1.00 0.00 N ATOM 321 CA ALA A 22 -7.684 -1.441 -2.205 1.00 0.00 C ATOM 322 C ALA A 22 -7.960 -1.895 -3.639 1.00 0.00 C ATOM 323 O ALA A 22 -8.598 -2.928 -3.816 1.00 0.00 O ATOM 324 CB ALA A 22 -8.988 -1.139 -1.463 1.00 0.00 C ATOM 0 H ALA A 22 -7.231 0.580 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.179 -2.280 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.658 -1.995 -1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.772 -0.942 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.464 -0.264 -1.906 1.00 0.00 H new ATOM 330 N ARG A 23 -7.489 -1.169 -4.657 1.00 0.00 N ATOM 331 CA ARG A 23 -7.523 -1.562 -6.042 1.00 0.00 C ATOM 332 C ARG A 23 -6.110 -1.383 -6.574 1.00 0.00 C ATOM 333 O ARG A 23 -5.877 -0.552 -7.450 1.00 0.00 O ATOM 334 CB ARG A 23 -8.530 -0.686 -6.788 1.00 0.00 C ATOM 335 CG ARG A 23 -9.908 -1.331 -6.899 1.00 0.00 C ATOM 336 CD ARG A 23 -10.790 -0.537 -7.875 1.00 0.00 C ATOM 337 NE ARG A 23 -11.971 -1.300 -8.311 1.00 0.00 N ATOM 338 CZ ARG A 23 -12.056 -2.089 -9.389 1.00 0.00 C ATOM 339 NH1 ARG A 23 -11.007 -2.312 -10.174 1.00 0.00 N ATOM 340 NH2 ARG A 23 -13.212 -2.657 -9.691 1.00 0.00 N ATOM 0 H ARG A 23 -7.058 -0.255 -4.517 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.839 -2.597 -6.175 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.622 0.271 -6.274 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.151 -0.476 -7.788 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.809 -2.361 -7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.381 -1.367 -5.917 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.114 0.388 -7.398 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.200 -0.256 -8.747 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.808 -1.219 -7.734 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.109 -1.877 -9.961 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.100 -2.918 -10.989 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.030 -2.492 -9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.285 -3.260 -10.511 1.00 0.00 H new ATOM 354 N ALA A 24 -5.157 -2.150 -6.056 1.00 0.00 N ATOM 355 CA ALA A 24 -3.816 -2.123 -6.594 1.00 0.00 C ATOM 356 C ALA A 24 -3.429 -3.571 -6.831 1.00 0.00 C ATOM 357 O ALA A 24 -3.520 -4.384 -5.921 1.00 0.00 O ATOM 358 CB ALA A 24 -2.862 -1.429 -5.630 1.00 0.00 C ATOM 0 H ALA A 24 -5.293 -2.789 -5.273 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.765 -1.556 -7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.858 -1.420 -6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.195 -0.405 -5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.850 -1.965 -4.681 1.00 0.00 H new ATOM 364 N GLU A 25 -3.109 -3.903 -8.070 1.00 0.00 N ATOM 365 CA GLU A 25 -3.044 -5.273 -8.564 1.00 0.00 C ATOM 366 C GLU A 25 -1.837 -6.052 -8.030 1.00 0.00 C ATOM 367 O GLU A 25 -1.823 -7.283 -8.084 1.00 0.00 O ATOM 368 CB GLU A 25 -3.012 -5.174 -10.095 1.00 0.00 C ATOM 369 CG GLU A 25 -4.371 -4.710 -10.644 1.00 0.00 C ATOM 370 CD GLU A 25 -4.467 -4.825 -12.170 1.00 0.00 C ATOM 371 OE1 GLU A 25 -4.052 -5.848 -12.750 1.00 0.00 O ATOM 372 OE2 GLU A 25 -4.944 -3.874 -12.840 1.00 0.00 O ATOM 0 H GLU A 25 -2.880 -3.209 -8.782 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.909 -5.835 -8.212 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.234 -4.475 -10.402 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.755 -6.144 -10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.163 -5.304 -10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.541 -3.674 -10.351 1.00 0.00 H new ATOM 379 N TYR A 26 -0.831 -5.362 -7.492 1.00 0.00 N ATOM 380 CA TYR A 26 0.362 -5.957 -6.938 1.00 0.00 C ATOM 381 C TYR A 26 0.737 -5.174 -5.688 1.00 0.00 C ATOM 382 O TYR A 26 0.407 -3.994 -5.553 1.00 0.00 O ATOM 383 CB TYR A 26 1.470 -5.929 -7.996 1.00 0.00 C ATOM 384 CG TYR A 26 1.208 -6.857 -9.169 1.00 0.00 C ATOM 385 CD1 TYR A 26 1.649 -8.187 -9.107 1.00 0.00 C ATOM 386 CD2 TYR A 26 0.543 -6.399 -10.323 1.00 0.00 C ATOM 387 CE1 TYR A 26 1.431 -9.055 -10.188 1.00 0.00 C ATOM 388 CE2 TYR A 26 0.324 -7.263 -11.412 1.00 0.00 C ATOM 389 CZ TYR A 26 0.741 -8.613 -11.338 1.00 0.00 C ATOM 390 OH TYR A 26 0.534 -9.477 -12.377 1.00 0.00 O ATOM 0 H TYR A 26 -0.834 -4.344 -7.433 1.00 0.00 H new ATOM 0 HA TYR A 26 0.204 -6.999 -6.659 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.583 -4.910 -8.367 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.415 -6.204 -7.529 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.158 -8.544 -8.224 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.198 -5.377 -10.373 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.794 -10.071 -10.140 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.162 -6.896 -12.304 1.00 0.00 H new ATOM 0 HH TYR A 26 0.044 -9.019 -13.091 1.00 0.00 H new ATOM 400 N PHE A 27 1.444 -5.825 -4.773 1.00 0.00 N ATOM 401 CA PHE A 27 1.781 -5.299 -3.466 1.00 0.00 C ATOM 402 C PHE A 27 3.217 -5.684 -3.165 1.00 0.00 C ATOM 403 O PHE A 27 3.533 -6.851 -2.948 1.00 0.00 O ATOM 404 CB PHE A 27 0.812 -5.847 -2.419 1.00 0.00 C ATOM 405 CG PHE A 27 -0.586 -5.285 -2.533 1.00 0.00 C ATOM 406 CD1 PHE A 27 -0.789 -3.897 -2.441 1.00 0.00 C ATOM 407 CD2 PHE A 27 -1.680 -6.139 -2.757 1.00 0.00 C ATOM 408 CE1 PHE A 27 -2.085 -3.370 -2.534 1.00 0.00 C ATOM 409 CE2 PHE A 27 -2.969 -5.603 -2.885 1.00 0.00 C ATOM 410 CZ PHE A 27 -3.175 -4.222 -2.765 1.00 0.00 C ATOM 0 H PHE A 27 1.808 -6.765 -4.930 1.00 0.00 H new ATOM 0 HA PHE A 27 1.692 -4.213 -3.445 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.767 -6.932 -2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.202 -5.628 -1.425 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.053 -3.236 -2.299 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.528 -7.206 -2.830 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.244 -2.307 -2.428 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.807 -6.257 -3.077 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.171 -3.814 -2.850 1.00 0.00 H new ATOM 420 N ILE A 28 4.100 -4.704 -3.219 1.00 0.00 N ATOM 421 CA ILE A 28 5.539 -4.869 -3.099 1.00 0.00 C ATOM 422 C ILE A 28 5.807 -4.642 -1.615 1.00 0.00 C ATOM 423 O ILE A 28 5.468 -3.574 -1.110 1.00 0.00 O ATOM 424 CB ILE A 28 6.236 -3.870 -4.051 1.00 0.00 C ATOM 425 CG1 ILE A 28 6.044 -4.196 -5.558 1.00 0.00 C ATOM 426 CG2 ILE A 28 7.746 -3.856 -3.790 1.00 0.00 C ATOM 427 CD1 ILE A 28 4.628 -4.460 -6.061 1.00 0.00 C ATOM 0 H ILE A 28 3.824 -3.731 -3.353 1.00 0.00 H new ATOM 0 HA ILE A 28 5.929 -5.843 -3.394 1.00 0.00 H new ATOM 0 HB ILE A 28 5.769 -2.908 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.453 -3.366 -6.134 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.649 -5.073 -5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.226 -3.149 -4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.934 -3.557 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.154 -4.853 -3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.655 -4.672 -7.130 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.207 -5.315 -5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.008 -3.581 -5.881 1.00 0.00 H new ATOM 439 N ILE A 29 6.304 -5.653 -0.901 1.00 0.00 N ATOM 440 CA ILE A 29 6.464 -5.626 0.551 1.00 0.00 C ATOM 441 C ILE A 29 7.952 -5.561 0.866 1.00 0.00 C ATOM 442 O ILE A 29 8.660 -6.563 0.775 1.00 0.00 O ATOM 443 CB ILE A 29 5.739 -6.796 1.246 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.225 -6.727 0.963 1.00 0.00 C ATOM 445 CG2 ILE A 29 5.962 -6.732 2.765 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.479 -7.957 1.480 1.00 0.00 C ATOM 0 H ILE A 29 6.612 -6.528 -1.324 1.00 0.00 H new ATOM 0 HA ILE A 29 5.983 -4.737 0.958 1.00 0.00 H new ATOM 0 HB ILE A 29 6.144 -7.729 0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.812 -5.832 1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.063 -6.632 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.445 -7.563 3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.029 -6.796 2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.571 -5.791 3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.417 -7.859 1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.871 -8.851 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.616 -8.039 2.558 1.00 0.00 H new ATOM 458 N TYR A 30 8.424 -4.370 1.208 1.00 0.00 N ATOM 459 CA TYR A 30 9.809 -4.056 1.512 1.00 0.00 C ATOM 460 C TYR A 30 10.018 -4.294 3.011 1.00 0.00 C ATOM 461 O TYR A 30 9.393 -3.627 3.840 1.00 0.00 O ATOM 462 CB TYR A 30 9.996 -2.570 1.133 1.00 0.00 C ATOM 463 CG TYR A 30 11.422 -2.089 0.934 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.213 -2.581 -0.124 1.00 0.00 C ATOM 465 CD2 TYR A 30 11.963 -1.156 1.832 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.564 -2.190 -0.237 1.00 0.00 C ATOM 467 CE2 TYR A 30 13.291 -0.727 1.700 1.00 0.00 C ATOM 468 CZ TYR A 30 14.087 -1.225 0.650 1.00 0.00 C ATOM 469 OH TYR A 30 15.331 -0.721 0.434 1.00 0.00 O ATOM 0 H TYR A 30 7.816 -3.554 1.284 1.00 0.00 H new ATOM 0 HA TYR A 30 10.530 -4.667 0.970 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.442 -2.382 0.213 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.537 -1.960 1.912 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.785 -3.258 -0.849 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.351 -0.765 2.631 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.194 -2.627 -0.998 1.00 0.00 H new ATOM 0 HE2 TYR A 30 13.703 -0.017 2.402 1.00 0.00 H new ATOM 0 HH TYR A 30 15.545 -0.067 1.132 1.00 0.00 H new ATOM 479 N ASP A 31 10.879 -5.249 3.362 1.00 0.00 N ATOM 480 CA ASP A 31 11.384 -5.494 4.712 1.00 0.00 C ATOM 481 C ASP A 31 12.475 -4.473 5.013 1.00 0.00 C ATOM 482 O ASP A 31 13.610 -4.620 4.537 1.00 0.00 O ATOM 483 CB ASP A 31 12.017 -6.890 4.780 1.00 0.00 C ATOM 484 CG ASP A 31 11.060 -7.910 5.361 1.00 0.00 C ATOM 485 OD1 ASP A 31 11.011 -8.066 6.598 1.00 0.00 O ATOM 486 OD2 ASP A 31 10.347 -8.548 4.556 1.00 0.00 O ATOM 0 H ASP A 31 11.261 -5.904 2.680 1.00 0.00 H new ATOM 0 HA ASP A 31 10.564 -5.418 5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.319 -7.202 3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.921 -6.851 5.388 1.00 0.00 H new ATOM 491 N THR A 32 12.158 -3.409 5.751 1.00 0.00 N ATOM 492 CA THR A 32 13.141 -2.414 6.160 1.00 0.00 C ATOM 493 C THR A 32 14.018 -3.019 7.277 1.00 0.00 C ATOM 494 O THR A 32 13.903 -2.689 8.462 1.00 0.00 O ATOM 495 CB THR A 32 12.445 -1.090 6.525 1.00 0.00 C ATOM 496 OG1 THR A 32 11.275 -1.264 7.305 1.00 0.00 O ATOM 497 CG2 THR A 32 11.988 -0.364 5.262 1.00 0.00 C ATOM 0 H THR A 32 11.212 -3.216 6.080 1.00 0.00 H new ATOM 0 HA THR A 32 13.813 -2.156 5.342 1.00 0.00 H new ATOM 0 HB THR A 32 13.188 -0.530 7.092 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.882 -0.389 7.504 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.498 0.570 5.536 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.852 -0.149 4.633 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.288 -0.994 4.714 1.00 0.00 H new ATOM 505 N GLU A 33 14.857 -3.983 6.897 1.00 0.00 N ATOM 506 CA GLU A 33 15.780 -4.727 7.716 1.00 0.00 C ATOM 507 C GLU A 33 16.901 -5.259 6.887 1.00 0.00 C ATOM 508 O GLU A 33 18.056 -4.978 7.238 1.00 0.00 O ATOM 509 CB GLU A 33 15.056 -5.847 8.480 1.00 0.00 C ATOM 510 CG GLU A 33 16.088 -6.612 9.300 1.00 0.00 C ATOM 511 CD GLU A 33 15.526 -7.315 10.538 1.00 0.00 C ATOM 512 OE1 GLU A 33 15.528 -6.685 11.616 1.00 0.00 O ATOM 513 OE2 GLU A 33 15.241 -8.532 10.499 1.00 0.00 O ATOM 0 H GLU A 33 14.902 -4.279 5.922 1.00 0.00 H new ATOM 0 HA GLU A 33 16.207 -4.053 8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 33 14.289 -5.428 9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.552 -6.517 7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 33 16.562 -7.356 8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 33 16.868 -5.919 9.615 1.00 0.00 H new ATOM 520 N SER A 34 16.582 -5.969 5.807 1.00 0.00 N ATOM 521 CA SER A 34 17.659 -6.474 4.998 1.00 0.00 C ATOM 522 C SER A 34 17.403 -6.286 3.496 1.00 0.00 C ATOM 523 O SER A 34 17.858 -7.082 2.670 1.00 0.00 O ATOM 524 CB SER A 34 17.792 -7.961 5.376 1.00 0.00 C ATOM 525 OG SER A 34 18.386 -8.119 6.652 1.00 0.00 O ATOM 0 H SER A 34 15.637 -6.193 5.493 1.00 0.00 H new ATOM 0 HA SER A 34 18.582 -5.926 5.188 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.807 -8.429 5.371 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.393 -8.476 4.627 1.00 0.00 H new ATOM 0 HG SER A 34 18.455 -9.073 6.865 1.00 0.00 H new ATOM 531 N GLY A 35 16.780 -5.163 3.127 1.00 0.00 N ATOM 532 CA GLY A 35 16.441 -4.764 1.759 1.00 0.00 C ATOM 533 C GLY A 35 15.674 -5.820 0.954 1.00 0.00 C ATOM 534 O GLY A 35 15.564 -5.663 -0.264 1.00 0.00 O ATOM 0 H GLY A 35 16.482 -4.470 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.844 -3.853 1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.361 -4.520 1.228 1.00 0.00 H new ATOM 538 N ASN A 36 15.173 -6.883 1.600 1.00 0.00 N ATOM 539 CA ASN A 36 14.411 -7.934 0.944 1.00 0.00 C ATOM 540 C ASN A 36 13.055 -7.359 0.575 1.00 0.00 C ATOM 541 O ASN A 36 12.470 -6.579 1.331 1.00 0.00 O ATOM 542 CB ASN A 36 14.234 -9.151 1.863 1.00 0.00 C ATOM 543 CG ASN A 36 13.548 -10.321 1.162 1.00 0.00 C ATOM 544 OD1 ASN A 36 12.448 -10.739 1.519 1.00 0.00 O ATOM 545 ND2 ASN A 36 14.198 -10.924 0.185 1.00 0.00 N ATOM 0 H ASN A 36 15.291 -7.031 2.602 1.00 0.00 H new ATOM 0 HA ASN A 36 14.944 -8.274 0.056 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.210 -9.472 2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.648 -8.861 2.735 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.788 -11.737 -0.274 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.110 -10.577 -0.111 1.00 0.00 H new ATOM 552 N VAL A 37 12.547 -7.742 -0.578 1.00 0.00 N ATOM 553 CA VAL A 37 11.252 -7.377 -1.089 1.00 0.00 C ATOM 554 C VAL A 37 10.548 -8.668 -1.486 1.00 0.00 C ATOM 555 O VAL A 37 11.165 -9.707 -1.730 1.00 0.00 O ATOM 556 CB VAL A 37 11.360 -6.370 -2.259 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.163 -5.415 -2.194 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.653 -5.536 -2.278 1.00 0.00 C ATOM 0 H VAL A 37 13.060 -8.351 -1.216 1.00 0.00 H new ATOM 0 HA VAL A 37 10.668 -6.859 -0.328 1.00 0.00 H new ATOM 0 HB VAL A 37 11.372 -6.967 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.225 -4.698 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.238 -5.985 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.174 -4.882 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.637 -4.860 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.725 -4.956 -1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.513 -6.200 -2.357 1.00 0.00 H new ATOM 568 N GLU A 38 9.236 -8.586 -1.597 1.00 0.00 N ATOM 569 CA GLU A 38 8.366 -9.630 -2.088 1.00 0.00 C ATOM 570 C GLU A 38 7.375 -8.919 -2.993 1.00 0.00 C ATOM 571 O GLU A 38 6.910 -7.836 -2.629 1.00 0.00 O ATOM 572 CB GLU A 38 7.667 -10.268 -0.874 1.00 0.00 C ATOM 573 CG GLU A 38 6.518 -11.222 -1.221 1.00 0.00 C ATOM 574 CD GLU A 38 6.979 -12.545 -1.836 1.00 0.00 C ATOM 575 OE1 GLU A 38 7.676 -12.519 -2.872 1.00 0.00 O ATOM 576 OE2 GLU A 38 6.576 -13.617 -1.324 1.00 0.00 O ATOM 0 H GLU A 38 8.725 -7.744 -1.332 1.00 0.00 H new ATOM 0 HA GLU A 38 8.881 -10.422 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.409 -10.813 -0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.280 -9.473 -0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.947 -11.432 -0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.842 -10.724 -1.917 1.00 0.00 H new ATOM 583 N VAL A 39 6.986 -9.524 -4.111 1.00 0.00 N ATOM 584 CA VAL A 39 5.831 -9.088 -4.878 1.00 0.00 C ATOM 585 C VAL A 39 4.697 -10.060 -4.567 1.00 0.00 C ATOM 586 O VAL A 39 4.797 -11.260 -4.833 1.00 0.00 O ATOM 587 CB VAL A 39 6.137 -8.990 -6.386 1.00 0.00 C ATOM 588 CG1 VAL A 39 4.931 -8.346 -7.087 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.397 -8.156 -6.672 1.00 0.00 C ATOM 0 H VAL A 39 7.466 -10.332 -4.509 1.00 0.00 H new ATOM 0 HA VAL A 39 5.542 -8.077 -4.593 1.00 0.00 H new ATOM 0 HB VAL A 39 6.321 -9.996 -6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.130 -8.269 -8.156 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.046 -8.961 -6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.761 -7.351 -6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.571 -8.116 -7.747 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.259 -7.145 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.256 -8.615 -6.182 1.00 0.00 H new ATOM 599 N VAL A 40 3.637 -9.542 -3.965 1.00 0.00 N ATOM 600 CA VAL A 40 2.324 -10.148 -3.933 1.00 0.00 C ATOM 601 C VAL A 40 1.643 -9.714 -5.234 1.00 0.00 C ATOM 602 O VAL A 40 1.650 -8.533 -5.571 1.00 0.00 O ATOM 603 CB VAL A 40 1.597 -9.659 -2.661 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.071 -9.619 -2.785 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.945 -10.550 -1.462 1.00 0.00 C ATOM 0 H VAL A 40 3.675 -8.653 -3.467 1.00 0.00 H new ATOM 0 HA VAL A 40 2.332 -11.237 -3.881 1.00 0.00 H new ATOM 0 HB VAL A 40 1.947 -8.637 -2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.361 -9.265 -1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.211 -8.944 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.303 -10.620 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.423 -10.188 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.640 -11.575 -1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.020 -10.520 -1.287 1.00 0.00 H new ATOM 615 N GLU A 41 1.038 -10.659 -5.939 1.00 0.00 N ATOM 616 CA GLU A 41 -0.050 -10.439 -6.884 1.00 0.00 C ATOM 617 C GLU A 41 -1.335 -10.454 -6.049 1.00 0.00 C ATOM 618 O GLU A 41 -1.487 -11.334 -5.190 1.00 0.00 O ATOM 619 CB GLU A 41 -0.044 -11.598 -7.900 1.00 0.00 C ATOM 620 CG GLU A 41 -1.143 -11.497 -8.968 1.00 0.00 C ATOM 621 CD GLU A 41 -1.277 -12.804 -9.755 1.00 0.00 C ATOM 622 OE1 GLU A 41 -0.320 -13.201 -10.462 1.00 0.00 O ATOM 623 OE2 GLU A 41 -2.346 -13.452 -9.647 1.00 0.00 O ATOM 0 H GLU A 41 1.302 -11.641 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 41 0.041 -9.501 -7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.927 -11.630 -8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.159 -12.539 -7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.094 -11.257 -8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.914 -10.680 -9.652 1.00 0.00 H new ATOM 630 N ASN A 42 -2.279 -9.536 -6.279 1.00 0.00 N ATOM 631 CA ASN A 42 -3.610 -9.684 -5.701 1.00 0.00 C ATOM 632 C ASN A 42 -4.685 -9.163 -6.647 1.00 0.00 C ATOM 633 O ASN A 42 -4.595 -8.060 -7.180 1.00 0.00 O ATOM 634 CB ASN A 42 -3.716 -9.015 -4.333 1.00 0.00 C ATOM 635 CG ASN A 42 -4.865 -9.643 -3.542 1.00 0.00 C ATOM 636 OD1 ASN A 42 -6.039 -9.451 -3.831 1.00 0.00 O ATOM 637 ND2 ASN A 42 -4.572 -10.456 -2.545 1.00 0.00 N ATOM 0 H ASN A 42 -2.147 -8.701 -6.849 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.777 -10.751 -5.555 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.780 -9.130 -3.787 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.886 -7.945 -4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.320 -10.916 -2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.598 -10.625 -2.294 1.00 0.00 H new ATOM 644 N THR A 43 -5.725 -9.956 -6.840 1.00 0.00 N ATOM 645 CA THR A 43 -6.603 -9.855 -7.990 1.00 0.00 C ATOM 646 C THR A 43 -7.934 -9.172 -7.626 1.00 0.00 C ATOM 647 O THR A 43 -9.006 -9.654 -7.981 1.00 0.00 O ATOM 648 CB THR A 43 -6.750 -11.275 -8.589 1.00 0.00 C ATOM 649 OG1 THR A 43 -7.165 -12.226 -7.622 1.00 0.00 O ATOM 650 CG2 THR A 43 -5.419 -11.764 -9.169 1.00 0.00 C ATOM 0 H THR A 43 -5.986 -10.699 -6.192 1.00 0.00 H new ATOM 0 HA THR A 43 -6.180 -9.206 -8.757 1.00 0.00 H new ATOM 0 HB THR A 43 -7.508 -11.193 -9.368 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.246 -13.107 -8.044 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.548 -12.764 -9.584 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.093 -11.084 -9.956 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.667 -11.793 -8.380 1.00 0.00 H new ATOM 658 N ILE A 44 -7.899 -8.004 -6.963 1.00 0.00 N ATOM 659 CA ILE A 44 -9.083 -7.282 -6.486 1.00 0.00 C ATOM 660 C ILE A 44 -9.768 -6.492 -7.623 1.00 0.00 C ATOM 661 O ILE A 44 -10.315 -5.407 -7.423 1.00 0.00 O ATOM 662 CB ILE A 44 -8.673 -6.373 -5.302 1.00 0.00 C ATOM 663 CG1 ILE A 44 -7.327 -5.642 -5.513 1.00 0.00 C ATOM 664 CG2 ILE A 44 -8.784 -7.167 -3.989 1.00 0.00 C ATOM 665 CD1 ILE A 44 -6.136 -6.306 -4.826 1.00 0.00 C ATOM 0 H ILE A 44 -7.025 -7.527 -6.740 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.826 -7.998 -6.136 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.376 -5.542 -5.239 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.125 -5.578 -6.582 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.420 -4.620 -5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.496 -6.530 -3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.812 -7.502 -3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.123 -8.032 -4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.233 -5.729 -5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.312 -6.345 -3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.012 -7.318 -5.211 1.00 0.00 H new ATOM 677 N ALA A 45 -9.830 -7.088 -8.810 1.00 0.00 N ATOM 678 CA ALA A 45 -10.420 -6.523 -10.012 1.00 0.00 C ATOM 679 C ALA A 45 -11.942 -6.765 -10.054 1.00 0.00 C ATOM 680 O ALA A 45 -12.511 -7.027 -11.118 1.00 0.00 O ATOM 681 CB ALA A 45 -9.681 -7.137 -11.209 1.00 0.00 C ATOM 0 H ALA A 45 -9.451 -8.023 -8.964 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.306 -5.439 -10.035 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.094 -6.738 -12.135 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.621 -6.889 -11.148 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.802 -8.220 -11.195 1.00 0.00 H new ATOM 687 N ASP A 46 -12.616 -6.644 -8.908 1.00 0.00 N ATOM 688 CA ASP A 46 -14.069 -6.734 -8.725 1.00 0.00 C ATOM 689 C ASP A 46 -14.415 -5.933 -7.453 1.00 0.00 C ATOM 690 O ASP A 46 -13.514 -5.380 -6.811 1.00 0.00 O ATOM 691 CB ASP A 46 -14.496 -8.215 -8.625 1.00 0.00 C ATOM 692 CG ASP A 46 -15.965 -8.483 -8.991 1.00 0.00 C ATOM 693 OD1 ASP A 46 -16.840 -7.617 -8.768 1.00 0.00 O ATOM 694 OD2 ASP A 46 -16.269 -9.615 -9.441 1.00 0.00 O ATOM 0 H ASP A 46 -12.133 -6.470 -8.027 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.612 -6.315 -9.572 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.858 -8.809 -9.280 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.319 -8.563 -7.607 1.00 0.00 H new ATOM 699 N ALA A 47 -15.683 -5.840 -7.058 1.00 0.00 N ATOM 700 CA ALA A 47 -16.189 -5.008 -5.970 1.00 0.00 C ATOM 701 C ALA A 47 -16.989 -5.859 -4.981 1.00 0.00 C ATOM 702 O ALA A 47 -18.222 -5.836 -4.973 1.00 0.00 O ATOM 703 CB ALA A 47 -17.018 -3.864 -6.563 1.00 0.00 C ATOM 0 H ALA A 47 -16.425 -6.372 -7.513 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.362 -4.571 -5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -17.401 -3.237 -5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.391 -3.265 -7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -17.853 -4.276 -7.130 1.00 0.00 H new ATOM 709 N HIS A 48 -16.291 -6.629 -4.149 1.00 0.00 N ATOM 710 CA HIS A 48 -16.890 -7.490 -3.135 1.00 0.00 C ATOM 711 C HIS A 48 -15.876 -7.828 -2.041 1.00 0.00 C ATOM 712 O HIS A 48 -14.691 -7.509 -2.180 1.00 0.00 O ATOM 713 CB HIS A 48 -17.431 -8.761 -3.812 1.00 0.00 C ATOM 714 CG HIS A 48 -16.405 -9.538 -4.595 1.00 0.00 C ATOM 715 ND1 HIS A 48 -16.569 -10.024 -5.869 1.00 0.00 N ATOM 716 CD2 HIS A 48 -15.196 -9.984 -4.136 1.00 0.00 C ATOM 717 CE1 HIS A 48 -15.493 -10.769 -6.163 1.00 0.00 C ATOM 718 NE2 HIS A 48 -14.629 -10.781 -5.131 1.00 0.00 N ATOM 0 H HIS A 48 -15.272 -6.672 -4.162 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.717 -6.967 -2.654 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -17.855 -9.412 -3.047 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -18.245 -8.482 -4.481 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.758 -9.759 -3.175 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.341 -11.287 -7.098 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -13.737 -11.274 -5.085 1.00 0.00 H new ATOM 726 N GLY A 49 -16.316 -8.558 -1.017 1.00 0.00 N ATOM 727 CA GLY A 49 -15.473 -9.072 0.053 1.00 0.00 C ATOM 728 C GLY A 49 -16.028 -8.571 1.371 1.00 0.00 C ATOM 729 O GLY A 49 -15.889 -7.390 1.681 1.00 0.00 O ATOM 0 H GLY A 49 -17.298 -8.814 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.458 -10.162 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.444 -8.737 -0.079 1.00 0.00 H new ATOM 733 N THR A 50 -16.709 -9.432 2.130 1.00 0.00 N ATOM 734 CA THR A 50 -17.263 -9.027 3.419 1.00 0.00 C ATOM 735 C THR A 50 -16.162 -8.889 4.490 1.00 0.00 C ATOM 736 O THR A 50 -16.374 -8.237 5.519 1.00 0.00 O ATOM 737 CB THR A 50 -18.399 -9.991 3.808 1.00 0.00 C ATOM 738 OG1 THR A 50 -17.946 -11.324 3.927 1.00 0.00 O ATOM 739 CG2 THR A 50 -19.519 -9.984 2.757 1.00 0.00 C ATOM 0 H THR A 50 -16.888 -10.404 1.876 1.00 0.00 H new ATOM 0 HA THR A 50 -17.698 -8.031 3.340 1.00 0.00 H new ATOM 0 HB THR A 50 -18.770 -9.638 4.770 1.00 0.00 H new ATOM 0 HG1 THR A 50 -18.696 -11.903 4.177 1.00 0.00 H new ATOM 0 HG21 THR A 50 -20.306 -10.674 3.060 1.00 0.00 H new ATOM 0 HG22 THR A 50 -19.931 -8.979 2.671 1.00 0.00 H new ATOM 0 HG23 THR A 50 -19.115 -10.294 1.793 1.00 0.00 H new ATOM 747 N GLY A 51 -14.978 -9.454 4.237 1.00 0.00 N ATOM 748 CA GLY A 51 -13.734 -9.209 4.946 1.00 0.00 C ATOM 749 C GLY A 51 -12.664 -8.778 3.936 1.00 0.00 C ATOM 750 O GLY A 51 -12.942 -8.716 2.735 1.00 0.00 O ATOM 0 H GLY A 51 -14.863 -10.134 3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.876 -8.434 5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.416 -10.109 5.471 1.00 0.00 H new ATOM 754 N PRO A 52 -11.441 -8.472 4.398 1.00 0.00 N ATOM 755 CA PRO A 52 -10.413 -7.837 3.584 1.00 0.00 C ATOM 756 C PRO A 52 -9.918 -8.728 2.446 1.00 0.00 C ATOM 757 O PRO A 52 -9.787 -8.232 1.332 1.00 0.00 O ATOM 758 CB PRO A 52 -9.305 -7.489 4.579 1.00 0.00 C ATOM 759 CG PRO A 52 -9.442 -8.532 5.685 1.00 0.00 C ATOM 760 CD PRO A 52 -10.961 -8.683 5.758 1.00 0.00 C ATOM 0 HA PRO A 52 -10.795 -6.956 3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.322 -7.535 4.110 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.425 -6.478 4.969 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.946 -9.469 5.432 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.016 -8.191 6.628 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.240 -9.671 6.123 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.395 -7.956 6.444 1.00 0.00 H new ATOM 768 N LYS A 53 -9.578 -10.001 2.690 1.00 0.00 N ATOM 769 CA LYS A 53 -8.680 -10.809 1.848 1.00 0.00 C ATOM 770 C LYS A 53 -7.293 -10.170 1.698 1.00 0.00 C ATOM 771 O LYS A 53 -6.317 -10.732 2.183 1.00 0.00 O ATOM 772 CB LYS A 53 -9.380 -11.254 0.535 1.00 0.00 C ATOM 773 CG LYS A 53 -8.646 -11.097 -0.812 1.00 0.00 C ATOM 774 CD LYS A 53 -8.926 -9.754 -1.515 1.00 0.00 C ATOM 775 CE LYS A 53 -10.372 -9.580 -1.991 1.00 0.00 C ATOM 776 NZ LYS A 53 -10.653 -10.443 -3.165 1.00 0.00 N ATOM 0 H LYS A 53 -9.929 -10.513 3.500 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.464 -11.746 2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.639 -12.307 0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.317 -10.702 0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.573 -11.193 -0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.940 -11.912 -1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.681 -8.941 -0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.260 -9.661 -2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.058 -9.828 -1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.550 -8.537 -2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.638 -10.307 -3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.013 -10.189 -3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.505 -11.439 -2.907 1.00 0.00 H new ATOM 790 N VAL A 54 -7.189 -9.001 1.070 1.00 0.00 N ATOM 791 CA VAL A 54 -5.944 -8.351 0.710 1.00 0.00 C ATOM 792 C VAL A 54 -5.183 -8.020 1.986 1.00 0.00 C ATOM 793 O VAL A 54 -4.113 -8.565 2.224 1.00 0.00 O ATOM 794 CB VAL A 54 -6.196 -7.151 -0.238 1.00 0.00 C ATOM 795 CG1 VAL A 54 -7.405 -6.253 0.062 1.00 0.00 C ATOM 796 CG2 VAL A 54 -4.957 -6.264 -0.386 1.00 0.00 C ATOM 0 H VAL A 54 -8.009 -8.463 0.789 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.306 -9.016 0.129 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.438 -7.662 -1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.459 -5.456 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.318 -6.847 0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.297 -5.818 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.180 -5.436 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.672 -5.871 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.135 -6.852 -0.794 1.00 0.00 H new ATOM 806 N VAL A 55 -5.775 -7.184 2.833 1.00 0.00 N ATOM 807 CA VAL A 55 -5.283 -6.807 4.154 1.00 0.00 C ATOM 808 C VAL A 55 -5.007 -8.060 4.961 1.00 0.00 C ATOM 809 O VAL A 55 -3.891 -8.168 5.433 1.00 0.00 O ATOM 810 CB VAL A 55 -6.258 -5.794 4.800 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.536 -4.876 5.768 1.00 0.00 C ATOM 812 CG2 VAL A 55 -6.990 -4.912 3.762 1.00 0.00 C ATOM 0 H VAL A 55 -6.658 -6.727 2.604 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.328 -6.284 4.100 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.995 -6.401 5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.248 -4.176 6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.078 -5.469 6.559 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.763 -4.322 5.236 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.659 -4.223 4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.259 -4.345 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.569 -5.545 3.090 1.00 0.00 H new ATOM 822 N GLN A 56 -5.913 -9.044 5.014 1.00 0.00 N ATOM 823 CA GLN A 56 -5.659 -10.334 5.648 1.00 0.00 C ATOM 824 C GLN A 56 -4.279 -10.902 5.251 1.00 0.00 C ATOM 825 O GLN A 56 -3.473 -11.207 6.131 1.00 0.00 O ATOM 826 CB GLN A 56 -6.805 -11.325 5.373 1.00 0.00 C ATOM 827 CG GLN A 56 -7.730 -11.484 6.592 1.00 0.00 C ATOM 828 CD GLN A 56 -7.220 -12.511 7.606 1.00 0.00 C ATOM 829 OE1 GLN A 56 -6.884 -13.637 7.244 1.00 0.00 O ATOM 830 NE2 GLN A 56 -7.168 -12.184 8.885 1.00 0.00 N ATOM 0 H GLN A 56 -6.848 -8.962 4.614 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.629 -10.176 6.726 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.387 -10.979 4.518 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.389 -12.296 5.104 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.839 -10.518 7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.722 -11.781 6.251 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.447 -11.250 9.184 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.849 -12.866 9.573 1.00 0.00 H new ATOM 839 N SER A 57 -3.976 -10.995 3.954 1.00 0.00 N ATOM 840 CA SER A 57 -2.688 -11.473 3.463 1.00 0.00 C ATOM 841 C SER A 57 -1.544 -10.525 3.821 1.00 0.00 C ATOM 842 O SER A 57 -0.536 -10.949 4.376 1.00 0.00 O ATOM 843 CB SER A 57 -2.770 -11.672 1.944 1.00 0.00 C ATOM 844 OG SER A 57 -1.592 -12.242 1.406 1.00 0.00 O ATOM 0 H SER A 57 -4.626 -10.738 3.211 1.00 0.00 H new ATOM 0 HA SER A 57 -2.470 -12.423 3.950 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.619 -12.314 1.711 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.956 -10.711 1.465 1.00 0.00 H new ATOM 0 HG SER A 57 -1.694 -12.350 0.437 1.00 0.00 H new ATOM 850 N LEU A 58 -1.658 -9.236 3.516 1.00 0.00 N ATOM 851 CA LEU A 58 -0.561 -8.292 3.696 1.00 0.00 C ATOM 852 C LEU A 58 -0.169 -8.215 5.177 1.00 0.00 C ATOM 853 O LEU A 58 1.006 -8.271 5.520 1.00 0.00 O ATOM 854 CB LEU A 58 -0.969 -6.931 3.119 1.00 0.00 C ATOM 855 CG LEU A 58 -1.221 -6.910 1.595 1.00 0.00 C ATOM 856 CD1 LEU A 58 -1.684 -5.517 1.159 1.00 0.00 C ATOM 857 CD2 LEU A 58 0.010 -7.289 0.777 1.00 0.00 C ATOM 0 H LEU A 58 -2.509 -8.818 3.139 1.00 0.00 H new ATOM 0 HA LEU A 58 0.324 -8.629 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.875 -6.597 3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.188 -6.207 3.352 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.991 -7.657 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.859 -5.512 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.608 -5.262 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.915 -4.785 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.234 -7.255 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.817 -6.587 0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.328 -8.297 1.044 1.00 0.00 H new ATOM 869 N VAL A 59 -1.147 -8.202 6.075 1.00 0.00 N ATOM 870 CA VAL A 59 -0.973 -8.325 7.516 1.00 0.00 C ATOM 871 C VAL A 59 -0.299 -9.657 7.884 1.00 0.00 C ATOM 872 O VAL A 59 0.505 -9.690 8.817 1.00 0.00 O ATOM 873 CB VAL A 59 -2.373 -8.157 8.139 1.00 0.00 C ATOM 874 CG1 VAL A 59 -2.537 -8.686 9.565 1.00 0.00 C ATOM 875 CG2 VAL A 59 -2.776 -6.686 8.152 1.00 0.00 C ATOM 0 H VAL A 59 -2.126 -8.101 5.806 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.303 -7.560 7.909 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.013 -8.765 7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.560 -8.515 9.901 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.323 -9.755 9.584 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.845 -8.166 10.228 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.767 -6.584 8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.056 -6.117 8.739 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.794 -6.305 7.131 1.00 0.00 H new ATOM 885 N SER A 60 -0.574 -10.754 7.172 1.00 0.00 N ATOM 886 CA SER A 60 0.110 -12.023 7.369 1.00 0.00 C ATOM 887 C SER A 60 1.586 -11.873 6.986 1.00 0.00 C ATOM 888 O SER A 60 2.434 -12.479 7.638 1.00 0.00 O ATOM 889 CB SER A 60 -0.570 -13.133 6.548 1.00 0.00 C ATOM 890 OG SER A 60 -0.183 -14.435 6.955 1.00 0.00 O ATOM 0 H SER A 60 -1.283 -10.780 6.439 1.00 0.00 H new ATOM 0 HA SER A 60 0.051 -12.307 8.420 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.652 -13.035 6.640 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.326 -13.000 5.494 1.00 0.00 H new ATOM 0 HG SER A 60 -0.644 -15.101 6.403 1.00 0.00 H new ATOM 896 N LYS A 61 1.925 -11.047 5.987 1.00 0.00 N ATOM 897 CA LYS A 61 3.296 -10.655 5.657 1.00 0.00 C ATOM 898 C LYS A 61 3.720 -9.477 6.539 1.00 0.00 C ATOM 899 O LYS A 61 4.478 -8.612 6.113 1.00 0.00 O ATOM 900 CB LYS A 61 3.382 -10.285 4.160 1.00 0.00 C ATOM 901 CG LYS A 61 3.395 -11.498 3.223 1.00 0.00 C ATOM 902 CD LYS A 61 2.116 -11.662 2.394 1.00 0.00 C ATOM 903 CE LYS A 61 2.285 -12.646 1.226 1.00 0.00 C ATOM 904 NZ LYS A 61 2.948 -13.909 1.607 1.00 0.00 N ATOM 0 H LYS A 61 1.232 -10.623 5.371 1.00 0.00 H new ATOM 0 HA LYS A 61 3.974 -11.487 5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.535 -9.648 3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.285 -9.698 3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.245 -11.412 2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.549 -12.400 3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.311 -12.009 3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.815 -10.690 2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.304 -12.872 0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.864 -12.165 0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.923 -14.570 0.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.937 -13.717 1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.452 -14.330 2.418 1.00 0.00 H new ATOM 918 N GLY A 62 3.306 -9.489 7.802 1.00 0.00 N ATOM 919 CA GLY A 62 3.739 -8.588 8.848 1.00 0.00 C ATOM 920 C GLY A 62 3.732 -7.100 8.499 1.00 0.00 C ATOM 921 O GLY A 62 4.480 -6.357 9.127 1.00 0.00 O ATOM 0 H GLY A 62 2.621 -10.168 8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.100 -8.739 9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.751 -8.866 9.144 1.00 0.00 H new ATOM 925 N VAL A 63 2.950 -6.653 7.516 1.00 0.00 N ATOM 926 CA VAL A 63 2.984 -5.285 7.020 1.00 0.00 C ATOM 927 C VAL A 63 2.486 -4.342 8.117 1.00 0.00 C ATOM 928 O VAL A 63 1.321 -4.436 8.518 1.00 0.00 O ATOM 929 CB VAL A 63 2.139 -5.227 5.728 1.00 0.00 C ATOM 930 CG1 VAL A 63 1.880 -3.811 5.223 1.00 0.00 C ATOM 931 CG2 VAL A 63 2.839 -5.957 4.574 1.00 0.00 C ATOM 0 H VAL A 63 2.268 -7.242 7.038 1.00 0.00 H new ATOM 0 HA VAL A 63 3.995 -4.962 6.770 1.00 0.00 H new ATOM 0 HB VAL A 63 1.196 -5.697 6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.281 -3.853 4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.344 -3.245 5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.830 -3.321 5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.220 -5.899 3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.804 -5.489 4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.991 -7.002 4.843 1.00 0.00 H new ATOM 941 N GLU A 64 3.339 -3.409 8.563 1.00 0.00 N ATOM 942 CA GLU A 64 2.969 -2.375 9.536 1.00 0.00 C ATOM 943 C GLU A 64 3.213 -0.974 8.967 1.00 0.00 C ATOM 944 O GLU A 64 3.399 -0.006 9.704 1.00 0.00 O ATOM 945 CB GLU A 64 3.881 -2.526 10.764 1.00 0.00 C ATOM 946 CG GLU A 64 3.715 -3.866 11.485 1.00 0.00 C ATOM 947 CD GLU A 64 4.551 -3.984 12.762 1.00 0.00 C ATOM 948 OE1 GLU A 64 5.300 -3.038 13.106 1.00 0.00 O ATOM 949 OE2 GLU A 64 4.561 -5.089 13.350 1.00 0.00 O ATOM 0 H GLU A 64 4.310 -3.351 8.256 1.00 0.00 H new ATOM 0 HA GLU A 64 1.914 -2.492 9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.919 -2.417 10.451 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.672 -1.717 11.464 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.663 -4.006 11.735 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.991 -4.672 10.805 1.00 0.00 H new ATOM 956 N TYR A 65 2.993 -0.781 7.673 1.00 0.00 N ATOM 957 CA TYR A 65 3.289 0.419 6.950 1.00 0.00 C ATOM 958 C TYR A 65 2.741 0.188 5.554 1.00 0.00 C ATOM 959 O TYR A 65 2.578 -0.938 5.085 1.00 0.00 O ATOM 960 CB TYR A 65 4.784 0.650 6.804 1.00 0.00 C ATOM 961 CG TYR A 65 5.509 1.332 7.922 1.00 0.00 C ATOM 962 CD1 TYR A 65 5.391 2.720 8.114 1.00 0.00 C ATOM 963 CD2 TYR A 65 6.379 0.574 8.702 1.00 0.00 C ATOM 964 CE1 TYR A 65 6.138 3.347 9.128 1.00 0.00 C ATOM 965 CE2 TYR A 65 7.070 1.181 9.762 1.00 0.00 C ATOM 966 CZ TYR A 65 6.944 2.567 9.989 1.00 0.00 C ATOM 967 OH TYR A 65 7.593 3.123 11.050 1.00 0.00 O ATOM 0 H TYR A 65 2.582 -1.503 7.082 1.00 0.00 H new ATOM 0 HA TYR A 65 2.864 1.276 7.473 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.256 -0.319 6.644 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.943 1.235 5.898 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.731 3.301 7.487 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.521 -0.476 8.492 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.096 4.419 9.248 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.700 0.585 10.406 1.00 0.00 H new ATOM 0 HH TYR A 65 8.096 2.430 11.526 1.00 0.00 H new ATOM 977 N LEU A 66 2.539 1.263 4.832 1.00 0.00 N ATOM 978 CA LEU A 66 1.989 1.251 3.500 1.00 0.00 C ATOM 979 C LEU A 66 2.294 2.610 2.908 1.00 0.00 C ATOM 980 O LEU A 66 2.293 3.597 3.634 1.00 0.00 O ATOM 981 CB LEU A 66 0.481 0.999 3.616 1.00 0.00 C ATOM 982 CG LEU A 66 -0.346 1.286 2.368 1.00 0.00 C ATOM 983 CD1 LEU A 66 0.073 0.531 1.109 1.00 0.00 C ATOM 984 CD2 LEU A 66 -1.827 0.997 2.612 1.00 0.00 C ATOM 0 H LEU A 66 2.760 2.201 5.167 1.00 0.00 H new ATOM 0 HA LEU A 66 2.409 0.473 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.328 -0.043 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.093 1.609 4.432 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.162 2.344 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.581 0.810 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.103 0.785 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.003 -0.542 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.393 1.210 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.954 -0.052 2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.191 1.626 3.424 1.00 0.00 H new ATOM 996 N ILE A 67 2.497 2.680 1.602 1.00 0.00 N ATOM 997 CA ILE A 67 2.661 3.924 0.871 1.00 0.00 C ATOM 998 C ILE A 67 1.530 3.955 -0.135 1.00 0.00 C ATOM 999 O ILE A 67 1.606 3.275 -1.151 1.00 0.00 O ATOM 1000 CB ILE A 67 4.064 3.936 0.223 1.00 0.00 C ATOM 1001 CG1 ILE A 67 5.161 4.004 1.321 1.00 0.00 C ATOM 1002 CG2 ILE A 67 4.222 5.177 -0.672 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.551 3.547 0.868 1.00 0.00 C ATOM 0 H ILE A 67 2.553 1.853 1.008 1.00 0.00 H new ATOM 0 HA ILE A 67 2.609 4.816 1.496 1.00 0.00 H new ATOM 0 HB ILE A 67 4.171 3.025 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.231 5.030 1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.849 3.389 2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.214 5.176 -1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.466 5.158 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.098 6.078 -0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.250 3.629 1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.503 2.510 0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.891 4.176 0.045 1.00 0.00 H new ATOM 1015 N ALA A 68 0.440 4.651 0.174 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.773 4.615 -0.611 1.00 0.00 C ATOM 1017 C ALA A 68 -1.531 5.930 -0.440 1.00 0.00 C ATOM 1018 O ALA A 68 -2.224 6.134 0.557 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.666 3.469 -0.156 1.00 0.00 C ATOM 0 H ALA A 68 0.381 5.262 0.989 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.506 4.469 -1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.575 3.456 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.136 2.524 -0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.927 3.606 0.894 1.00 0.00 H new ATOM 1025 N SER A 69 -1.450 6.785 -1.452 1.00 0.00 N ATOM 1026 CA SER A 69 -2.159 8.056 -1.559 1.00 0.00 C ATOM 1027 C SER A 69 -3.640 8.015 -1.204 1.00 0.00 C ATOM 1028 O SER A 69 -4.222 9.042 -0.842 1.00 0.00 O ATOM 1029 CB SER A 69 -2.039 8.571 -2.989 1.00 0.00 C ATOM 1030 OG SER A 69 -2.813 7.845 -3.920 1.00 0.00 O ATOM 0 H SER A 69 -0.858 6.602 -2.262 1.00 0.00 H new ATOM 0 HA SER A 69 -1.685 8.707 -0.825 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.342 9.618 -3.016 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.993 8.534 -3.292 1.00 0.00 H new ATOM 0 HG SER A 69 -3.641 8.334 -4.109 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.296 6.873 -1.402 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.700 6.747 -1.135 1.00 0.00 C ATOM 1038 C ASN A 70 -6.001 5.266 -1.055 1.00 0.00 C ATOM 1039 O ASN A 70 -5.103 4.418 -1.097 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.514 7.436 -2.248 1.00 0.00 C ATOM 1041 CG ASN A 70 -7.597 8.294 -1.630 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -8.775 7.979 -1.755 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -7.209 9.363 -0.959 1.00 0.00 N ATOM 0 H ASN A 70 -3.858 6.021 -1.751 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.975 7.233 -0.199 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.858 8.050 -2.865 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.959 6.687 -2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.902 9.967 -0.517 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.216 9.585 -0.882 1.00 0.00 H new ATOM 1050 N VAL A 71 -7.276 4.921 -0.993 1.00 0.00 N ATOM 1051 CA VAL A 71 -7.736 3.558 -0.955 1.00 0.00 C ATOM 1052 C VAL A 71 -8.786 3.448 -2.052 1.00 0.00 C ATOM 1053 O VAL A 71 -9.310 4.464 -2.512 1.00 0.00 O ATOM 1054 CB VAL A 71 -8.134 3.260 0.502 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -9.453 3.877 0.954 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -8.130 1.776 0.827 1.00 0.00 C ATOM 0 H VAL A 71 -8.033 5.604 -0.967 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.013 2.775 -1.184 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.346 3.754 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.643 3.609 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.397 4.962 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.263 3.502 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.419 1.631 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.838 1.260 0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.130 1.371 0.668 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.003 2.245 -2.574 1.00 0.00 N ATOM 1067 CA GLY A 72 -9.995 2.062 -3.617 1.00 0.00 C ATOM 1068 C GLY A 72 -11.385 2.113 -2.983 1.00 0.00 C ATOM 1069 O GLY A 72 -12.264 2.758 -3.549 1.00 0.00 O ATOM 0 H GLY A 72 -8.511 1.396 -2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.896 2.840 -4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.843 1.107 -4.120 1.00 0.00 H new ATOM 1073 N ARG A 73 -11.573 1.486 -1.814 1.00 0.00 N ATOM 1074 CA ARG A 73 -12.806 1.431 -1.026 1.00 0.00 C ATOM 1075 C ARG A 73 -12.469 0.781 0.329 1.00 0.00 C ATOM 1076 O ARG A 73 -11.352 0.968 0.807 1.00 0.00 O ATOM 1077 CB ARG A 73 -13.906 0.669 -1.793 1.00 0.00 C ATOM 1078 CG ARG A 73 -15.306 1.053 -1.294 1.00 0.00 C ATOM 1079 CD ARG A 73 -16.242 -0.153 -1.335 1.00 0.00 C ATOM 1080 NE ARG A 73 -17.504 0.175 -0.666 1.00 0.00 N ATOM 1081 CZ ARG A 73 -18.724 -0.208 -1.037 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -18.864 -1.129 -1.988 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -19.777 0.356 -0.472 1.00 0.00 N ATOM 0 H ARG A 73 -10.816 0.970 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.202 2.431 -0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.826 0.886 -2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.758 -0.404 -1.674 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.242 1.436 -0.275 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.711 1.855 -1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.432 -0.442 -2.369 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.772 -1.007 -0.846 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.441 0.756 0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.039 -1.537 -2.428 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.796 -1.427 -2.277 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.650 1.076 0.239 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.717 0.072 -0.747 1.00 0.00 H new ATOM 1097 N ASN A 74 -13.391 0.044 0.962 1.00 0.00 N ATOM 1098 CA ASN A 74 -13.239 -0.578 2.277 1.00 0.00 C ATOM 1099 C ASN A 74 -11.966 -1.429 2.354 1.00 0.00 C ATOM 1100 O ASN A 74 -11.899 -2.533 1.807 1.00 0.00 O ATOM 1101 CB ASN A 74 -14.469 -1.421 2.650 1.00 0.00 C ATOM 1102 CG ASN A 74 -14.425 -1.810 4.126 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -13.420 -2.306 4.626 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -15.487 -1.595 4.874 1.00 0.00 N ATOM 0 H ASN A 74 -14.305 -0.141 0.549 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.151 0.232 3.001 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.379 -0.858 2.444 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.503 -2.319 2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.472 -1.840 5.864 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.325 -1.183 4.464 1.00 0.00 H new ATOM 1111 N ALA A 75 -10.955 -0.896 3.038 1.00 0.00 N ATOM 1112 CA ALA A 75 -9.721 -1.565 3.447 1.00 0.00 C ATOM 1113 C ALA A 75 -9.009 -0.707 4.499 1.00 0.00 C ATOM 1114 O ALA A 75 -8.314 -1.233 5.358 1.00 0.00 O ATOM 1115 CB ALA A 75 -8.784 -1.754 2.251 1.00 0.00 C ATOM 0 H ALA A 75 -10.977 0.078 3.341 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.975 -2.543 3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.872 -2.254 2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.279 -2.362 1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.533 -0.781 1.828 1.00 0.00 H new ATOM 1121 N PHE A 76 -9.188 0.622 4.451 1.00 0.00 N ATOM 1122 CA PHE A 76 -8.627 1.602 5.383 1.00 0.00 C ATOM 1123 C PHE A 76 -8.915 1.253 6.836 1.00 0.00 C ATOM 1124 O PHE A 76 -8.034 1.407 7.673 1.00 0.00 O ATOM 1125 CB PHE A 76 -9.189 2.982 5.030 1.00 0.00 C ATOM 1126 CG PHE A 76 -9.054 4.094 6.061 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -7.888 4.881 6.111 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -10.150 4.429 6.881 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -7.867 6.068 6.869 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -10.116 5.595 7.665 1.00 0.00 C ATOM 1131 CZ PHE A 76 -8.992 6.437 7.630 1.00 0.00 C ATOM 0 H PHE A 76 -9.756 1.060 3.725 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.542 1.599 5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.703 3.316 4.113 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.249 2.863 4.804 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.007 4.574 5.567 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.019 3.788 6.907 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.988 6.695 6.866 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.956 5.844 8.296 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.991 7.364 8.185 1.00 0.00 H new ATOM 1141 N GLU A 77 -10.117 0.761 7.125 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.522 0.358 8.463 1.00 0.00 C ATOM 1143 C GLU A 77 -9.680 -0.847 8.914 1.00 0.00 C ATOM 1144 O GLU A 77 -9.229 -0.912 10.057 1.00 0.00 O ATOM 1145 CB GLU A 77 -12.035 0.074 8.479 1.00 0.00 C ATOM 1146 CG GLU A 77 -12.863 1.313 8.067 1.00 0.00 C ATOM 1147 CD GLU A 77 -14.377 1.097 8.186 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -14.820 0.529 9.214 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -15.137 1.499 7.272 1.00 0.00 O ATOM 0 H GLU A 77 -10.846 0.630 6.423 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.340 1.160 9.178 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.256 -0.751 7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.333 -0.245 9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.573 2.159 8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.620 1.578 7.038 1.00 0.00 H new ATOM 1156 N THR A 78 -9.367 -1.763 7.996 1.00 0.00 N ATOM 1157 CA THR A 78 -8.595 -2.963 8.275 1.00 0.00 C ATOM 1158 C THR A 78 -7.088 -2.643 8.324 1.00 0.00 C ATOM 1159 O THR A 78 -6.297 -3.440 8.829 1.00 0.00 O ATOM 1160 CB THR A 78 -8.983 -4.061 7.252 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.380 -4.032 6.994 1.00 0.00 O ATOM 1162 CG2 THR A 78 -8.662 -5.442 7.809 1.00 0.00 C ATOM 0 H THR A 78 -9.651 -1.685 7.020 1.00 0.00 H new ATOM 0 HA THR A 78 -8.832 -3.355 9.264 1.00 0.00 H new ATOM 0 HB THR A 78 -8.419 -3.869 6.340 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.607 -4.730 6.345 1.00 0.00 H new ATOM 0 HG21 THR A 78 -8.940 -6.202 7.079 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.594 -5.511 8.016 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.222 -5.602 8.731 1.00 0.00 H new ATOM 1170 N LEU A 79 -6.667 -1.464 7.848 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.293 -0.991 8.005 1.00 0.00 C ATOM 1172 C LEU A 79 -5.057 -0.625 9.459 1.00 0.00 C ATOM 1173 O LEU A 79 -4.204 -1.194 10.133 1.00 0.00 O ATOM 1174 CB LEU A 79 -4.974 0.166 7.040 1.00 0.00 C ATOM 1175 CG LEU A 79 -4.888 -0.337 5.586 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -5.111 0.782 4.554 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -3.557 -1.057 5.355 1.00 0.00 C ATOM 0 H LEU A 79 -7.271 -0.815 7.344 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.602 -1.791 7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.745 0.933 7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.030 0.632 7.324 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.702 -1.047 5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.039 0.369 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.100 1.217 4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.352 1.554 4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.507 -1.408 4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.733 -0.369 5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.481 -1.908 6.032 1.00 0.00 H new ATOM 1189 N LYS A 80 -5.856 0.298 9.973 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.791 0.704 11.361 1.00 0.00 C ATOM 1191 C LYS A 80 -6.121 -0.408 12.342 1.00 0.00 C ATOM 1192 O LYS A 80 -5.550 -0.415 13.432 1.00 0.00 O ATOM 1193 CB LYS A 80 -6.648 1.943 11.565 1.00 0.00 C ATOM 1194 CG LYS A 80 -8.022 2.004 10.886 1.00 0.00 C ATOM 1195 CD LYS A 80 -8.385 3.416 10.398 1.00 0.00 C ATOM 1196 CE LYS A 80 -7.378 4.084 9.447 1.00 0.00 C ATOM 1197 NZ LYS A 80 -6.331 4.882 10.138 1.00 0.00 N ATOM 0 H LYS A 80 -6.570 0.786 9.433 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.754 0.952 11.586 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.803 2.066 12.637 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.072 2.804 11.225 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.034 1.318 10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.783 1.660 11.586 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.351 3.367 9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.511 4.058 11.270 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.895 3.313 8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.919 4.733 8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.396 5.875 9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.472 4.823 11.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.392 4.507 9.895 1.00 0.00 H new ATOM 1211 N ALA A 81 -6.958 -1.367 11.958 1.00 0.00 N ATOM 1212 CA ALA A 81 -7.192 -2.563 12.754 1.00 0.00 C ATOM 1213 C ALA A 81 -5.871 -3.232 13.152 1.00 0.00 C ATOM 1214 O ALA A 81 -5.774 -3.695 14.288 1.00 0.00 O ATOM 1215 CB ALA A 81 -8.093 -3.551 12.008 1.00 0.00 C ATOM 0 H ALA A 81 -7.491 -1.336 11.089 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.703 -2.257 13.667 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.252 -4.436 12.625 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.053 -3.079 11.796 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.617 -3.842 11.072 1.00 0.00 H new ATOM 1221 N ALA A 82 -4.848 -3.225 12.282 1.00 0.00 N ATOM 1222 CA ALA A 82 -3.544 -3.794 12.608 1.00 0.00 C ATOM 1223 C ALA A 82 -2.481 -2.695 12.821 1.00 0.00 C ATOM 1224 O ALA A 82 -1.295 -2.924 12.601 1.00 0.00 O ATOM 1225 CB ALA A 82 -3.181 -4.721 11.426 1.00 0.00 C ATOM 0 H ALA A 82 -4.907 -2.828 11.344 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.577 -4.348 13.546 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.210 -5.181 11.609 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.938 -5.499 11.328 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.139 -4.138 10.506 1.00 0.00 H new ATOM 1231 N GLY A 83 -2.852 -1.550 13.402 1.00 0.00 N ATOM 1232 CA GLY A 83 -1.964 -0.415 13.674 1.00 0.00 C ATOM 1233 C GLY A 83 -1.023 -0.014 12.525 1.00 0.00 C ATOM 1234 O GLY A 83 0.115 0.381 12.791 1.00 0.00 O ATOM 0 H GLY A 83 -3.811 -1.382 13.706 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.577 0.448 13.935 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.359 -0.652 14.549 1.00 0.00 H new ATOM 1238 N VAL A 84 -1.444 -0.138 11.262 1.00 0.00 N ATOM 1239 CA VAL A 84 -0.545 -0.065 10.108 1.00 0.00 C ATOM 1240 C VAL A 84 -0.464 1.377 9.596 1.00 0.00 C ATOM 1241 O VAL A 84 -1.488 1.998 9.284 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.024 -1.077 9.039 1.00 0.00 C ATOM 1243 CG1 VAL A 84 -0.058 -1.278 7.875 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.216 -2.464 9.649 1.00 0.00 C ATOM 0 H VAL A 84 -2.421 -0.292 11.012 1.00 0.00 H new ATOM 0 HA VAL A 84 0.472 -0.343 10.385 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.951 -0.639 8.668 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.476 -2.003 7.176 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.097 -0.328 7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.896 -1.647 8.253 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.553 -3.157 8.878 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.270 -2.813 10.063 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.962 -2.413 10.442 1.00 0.00 H new ATOM 1254 N LYS A 85 0.756 1.909 9.440 1.00 0.00 N ATOM 1255 CA LYS A 85 0.981 3.309 9.073 1.00 0.00 C ATOM 1256 C LYS A 85 0.783 3.514 7.568 1.00 0.00 C ATOM 1257 O LYS A 85 1.496 2.921 6.773 1.00 0.00 O ATOM 1258 CB LYS A 85 2.409 3.729 9.480 1.00 0.00 C ATOM 1259 CG LYS A 85 2.375 4.681 10.676 1.00 0.00 C ATOM 1260 CD LYS A 85 3.733 5.354 10.916 1.00 0.00 C ATOM 1261 CE LYS A 85 3.677 6.217 12.176 1.00 0.00 C ATOM 1262 NZ LYS A 85 3.719 5.393 13.398 1.00 0.00 N ATOM 0 H LYS A 85 1.616 1.376 9.566 1.00 0.00 H new ATOM 0 HA LYS A 85 0.256 3.929 9.601 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.996 2.845 9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.904 4.213 8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.616 5.446 10.509 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.081 4.130 11.569 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.510 4.596 11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.000 5.969 10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.514 6.915 12.178 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.765 6.814 12.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.799 6.011 14.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.847 4.830 13.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.540 4.756 13.359 1.00 0.00 H new ATOM 1276 N VAL A 86 -0.239 4.240 7.133 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.524 4.466 5.710 1.00 0.00 C ATOM 1278 C VAL A 86 0.082 5.826 5.397 1.00 0.00 C ATOM 1279 O VAL A 86 -0.250 6.802 6.065 1.00 0.00 O ATOM 1280 CB VAL A 86 -2.043 4.443 5.446 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -2.318 4.560 3.932 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.699 3.157 5.981 1.00 0.00 C ATOM 0 H VAL A 86 -0.903 4.695 7.759 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.102 3.687 5.074 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.477 5.292 5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.393 4.543 3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.904 5.496 3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.851 3.724 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.769 3.181 5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.254 2.291 5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.539 3.087 7.057 1.00 0.00 H new ATOM 1292 N TYR A 87 1.012 5.902 4.454 1.00 0.00 N ATOM 1293 CA TYR A 87 1.561 7.148 3.946 1.00 0.00 C ATOM 1294 C TYR A 87 0.803 7.580 2.707 1.00 0.00 C ATOM 1295 O TYR A 87 0.239 6.738 2.012 1.00 0.00 O ATOM 1296 CB TYR A 87 3.038 6.959 3.590 1.00 0.00 C ATOM 1297 CG TYR A 87 3.980 7.188 4.744 1.00 0.00 C ATOM 1298 CD1 TYR A 87 4.134 6.225 5.756 1.00 0.00 C ATOM 1299 CD2 TYR A 87 4.711 8.380 4.798 1.00 0.00 C ATOM 1300 CE1 TYR A 87 5.033 6.462 6.813 1.00 0.00 C ATOM 1301 CE2 TYR A 87 5.635 8.612 5.819 1.00 0.00 C ATOM 1302 CZ TYR A 87 5.822 7.635 6.820 1.00 0.00 C ATOM 1303 OH TYR A 87 6.801 7.783 7.750 1.00 0.00 O ATOM 0 H TYR A 87 1.414 5.076 4.011 1.00 0.00 H new ATOM 0 HA TYR A 87 1.466 7.913 4.716 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.183 5.947 3.211 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.297 7.643 2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.565 5.307 5.723 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.558 9.132 4.038 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.120 5.748 7.618 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.202 9.531 5.842 1.00 0.00 H new ATOM 0 HH TYR A 87 7.251 8.643 7.617 1.00 0.00 H new ATOM 1313 N ARG A 88 0.855 8.869 2.384 1.00 0.00 N ATOM 1314 CA ARG A 88 0.454 9.363 1.074 1.00 0.00 C ATOM 1315 C ARG A 88 1.606 9.097 0.114 1.00 0.00 C ATOM 1316 O ARG A 88 2.753 9.139 0.541 1.00 0.00 O ATOM 1317 CB ARG A 88 0.193 10.878 1.136 1.00 0.00 C ATOM 1318 CG ARG A 88 -0.458 11.429 -0.147 1.00 0.00 C ATOM 1319 CD ARG A 88 -1.762 12.197 0.104 1.00 0.00 C ATOM 1320 NE ARG A 88 -1.510 13.639 0.268 1.00 0.00 N ATOM 1321 CZ ARG A 88 -1.400 14.510 -0.747 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -1.766 14.170 -1.984 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -0.896 15.719 -0.517 1.00 0.00 N ATOM 0 H ARG A 88 1.176 9.597 3.022 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.458 8.865 0.746 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.453 11.095 1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.136 11.397 1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.250 12.088 -0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.660 10.601 -0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.447 12.038 -0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.250 11.807 0.997 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.413 14.000 1.217 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.135 13.237 -2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.677 14.843 -2.745 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.597 15.977 0.424 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.808 16.389 -1.281 1.00 0.00 H new ATOM 1337 N PHE A 89 1.304 8.912 -1.166 1.00 0.00 N ATOM 1338 CA PHE A 89 2.216 9.135 -2.287 1.00 0.00 C ATOM 1339 C PHE A 89 1.470 10.045 -3.293 1.00 0.00 C ATOM 1340 O PHE A 89 0.285 10.311 -3.084 1.00 0.00 O ATOM 1341 CB PHE A 89 2.726 7.764 -2.805 1.00 0.00 C ATOM 1342 CG PHE A 89 2.517 7.465 -4.283 1.00 0.00 C ATOM 1343 CD1 PHE A 89 1.201 7.289 -4.758 1.00 0.00 C ATOM 1344 CD2 PHE A 89 3.589 7.342 -5.191 1.00 0.00 C ATOM 1345 CE1 PHE A 89 0.925 7.093 -6.121 1.00 0.00 C ATOM 1346 CE2 PHE A 89 3.307 7.092 -6.536 1.00 0.00 C ATOM 1347 CZ PHE A 89 1.991 6.990 -7.021 1.00 0.00 C ATOM 0 H PHE A 89 0.383 8.591 -1.465 1.00 0.00 H new ATOM 0 HA PHE A 89 3.134 9.664 -2.031 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.793 7.697 -2.593 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.236 6.980 -2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.382 7.305 -4.054 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.610 7.439 -4.852 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.095 7.023 -6.469 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.128 6.973 -7.227 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.806 6.834 -8.074 1.00 0.00 H new ATOM 1357 N GLU A 90 2.089 10.549 -4.363 1.00 0.00 N ATOM 1358 CA GLU A 90 1.407 11.389 -5.355 1.00 0.00 C ATOM 1359 C GLU A 90 2.102 11.370 -6.734 1.00 0.00 C ATOM 1360 O GLU A 90 2.367 12.422 -7.329 1.00 0.00 O ATOM 1361 CB GLU A 90 1.201 12.819 -4.800 1.00 0.00 C ATOM 1362 CG GLU A 90 0.005 13.515 -5.478 1.00 0.00 C ATOM 1363 CD GLU A 90 -0.118 14.991 -5.088 1.00 0.00 C ATOM 1364 OE1 GLU A 90 0.747 15.802 -5.487 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -1.088 15.384 -4.394 1.00 0.00 O ATOM 0 H GLU A 90 3.075 10.388 -4.568 1.00 0.00 H new ATOM 0 HA GLU A 90 0.421 10.961 -5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.036 12.773 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.105 13.407 -4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.110 13.437 -6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.914 12.994 -5.208 1.00 0.00 H new ATOM 1372 N GLY A 91 2.356 10.177 -7.282 1.00 0.00 N ATOM 1373 CA GLY A 91 2.624 9.975 -8.708 1.00 0.00 C ATOM 1374 C GLY A 91 4.075 9.584 -8.980 1.00 0.00 C ATOM 1375 O GLY A 91 4.958 10.444 -8.984 1.00 0.00 O ATOM 0 H GLY A 91 2.381 9.314 -6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.963 9.198 -9.092 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.389 10.890 -9.252 1.00 0.00 H new ATOM 1379 N GLY A 92 4.323 8.299 -9.223 1.00 0.00 N ATOM 1380 CA GLY A 92 5.634 7.679 -9.140 1.00 0.00 C ATOM 1381 C GLY A 92 5.525 6.192 -9.457 1.00 0.00 C ATOM 1382 O GLY A 92 4.426 5.621 -9.443 1.00 0.00 O ATOM 0 H GLY A 92 3.590 7.643 -9.492 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.318 8.160 -9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.049 7.818 -8.142 1.00 0.00 H new ATOM 1386 N THR A 93 6.660 5.553 -9.694 1.00 0.00 N ATOM 1387 CA THR A 93 6.790 4.110 -9.754 1.00 0.00 C ATOM 1388 C THR A 93 7.073 3.540 -8.364 1.00 0.00 C ATOM 1389 O THR A 93 7.245 4.290 -7.400 1.00 0.00 O ATOM 1390 CB THR A 93 7.909 3.754 -10.738 1.00 0.00 C ATOM 1391 OG1 THR A 93 9.050 4.507 -10.397 1.00 0.00 O ATOM 1392 CG2 THR A 93 7.500 4.029 -12.185 1.00 0.00 C ATOM 0 H THR A 93 7.541 6.041 -9.854 1.00 0.00 H new ATOM 0 HA THR A 93 5.856 3.669 -10.103 1.00 0.00 H new ATOM 0 HB THR A 93 8.121 2.687 -10.668 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.780 4.293 -11.015 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.320 3.764 -12.852 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.622 3.433 -12.435 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.265 5.087 -12.302 1.00 0.00 H new ATOM 1400 N VAL A 94 7.099 2.205 -8.236 1.00 0.00 N ATOM 1401 CA VAL A 94 7.377 1.522 -6.977 1.00 0.00 C ATOM 1402 C VAL A 94 8.571 2.144 -6.251 1.00 0.00 C ATOM 1403 O VAL A 94 8.462 2.348 -5.046 1.00 0.00 O ATOM 1404 CB VAL A 94 7.491 0.003 -7.197 1.00 0.00 C ATOM 1405 CG1 VAL A 94 7.784 -0.743 -5.894 1.00 0.00 C ATOM 1406 CG2 VAL A 94 6.186 -0.568 -7.770 1.00 0.00 C ATOM 0 H VAL A 94 6.925 1.569 -9.014 1.00 0.00 H new ATOM 0 HA VAL A 94 6.533 1.665 -6.302 1.00 0.00 H new ATOM 0 HB VAL A 94 8.315 -0.140 -7.896 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.856 -1.812 -6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.726 -0.388 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.979 -0.562 -5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.292 -1.643 -7.916 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.369 -0.376 -7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.969 -0.091 -8.726 1.00 0.00 H new ATOM 1416 N GLN A 95 9.670 2.490 -6.932 1.00 0.00 N ATOM 1417 CA GLN A 95 10.821 3.079 -6.253 1.00 0.00 C ATOM 1418 C GLN A 95 10.571 4.462 -5.683 1.00 0.00 C ATOM 1419 O GLN A 95 11.136 4.771 -4.645 1.00 0.00 O ATOM 1420 CB GLN A 95 12.039 3.172 -7.182 1.00 0.00 C ATOM 1421 CG GLN A 95 13.366 3.051 -6.424 1.00 0.00 C ATOM 1422 CD GLN A 95 14.536 2.798 -7.373 1.00 0.00 C ATOM 1423 OE1 GLN A 95 14.617 1.736 -7.993 1.00 0.00 O ATOM 1424 NE2 GLN A 95 15.478 3.717 -7.489 1.00 0.00 N ATOM 0 H GLN A 95 9.783 2.373 -7.939 1.00 0.00 H new ATOM 0 HA GLN A 95 11.011 2.399 -5.423 1.00 0.00 H new ATOM 0 HB2 GLN A 95 11.980 2.384 -7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.014 4.123 -7.715 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.547 3.965 -5.858 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.300 2.237 -5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.402 4.593 -6.972 1.00 0.00 H new ATOM 0 HE22 GLN A 95 16.281 3.551 -8.096 1.00 0.00 H new ATOM 1433 N GLU A 96 9.758 5.285 -6.328 1.00 0.00 N ATOM 1434 CA GLU A 96 9.530 6.675 -5.997 1.00 0.00 C ATOM 1435 C GLU A 96 8.864 6.708 -4.647 1.00 0.00 C ATOM 1436 O GLU A 96 9.325 7.438 -3.785 1.00 0.00 O ATOM 1437 CB GLU A 96 8.605 7.308 -7.037 1.00 0.00 C ATOM 1438 CG GLU A 96 9.208 7.479 -8.435 1.00 0.00 C ATOM 1439 CD GLU A 96 10.367 8.470 -8.538 1.00 0.00 C ATOM 1440 OE1 GLU A 96 10.108 9.695 -8.542 1.00 0.00 O ATOM 1441 OE2 GLU A 96 11.526 8.023 -8.697 1.00 0.00 O ATOM 0 H GLU A 96 9.214 4.982 -7.136 1.00 0.00 H new ATOM 0 HA GLU A 96 10.469 7.229 -5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.707 6.696 -7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.292 8.286 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.554 6.506 -8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.418 7.799 -9.115 1.00 0.00 H new ATOM 1448 N ALA A 97 7.861 5.851 -4.428 1.00 0.00 N ATOM 1449 CA ALA A 97 7.252 5.656 -3.134 1.00 0.00 C ATOM 1450 C ALA A 97 8.312 5.495 -2.040 1.00 0.00 C ATOM 1451 O ALA A 97 8.195 6.102 -0.984 1.00 0.00 O ATOM 1452 CB ALA A 97 6.324 4.438 -3.235 1.00 0.00 C ATOM 0 H ALA A 97 7.453 5.272 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 97 6.668 6.531 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.847 4.263 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.560 4.624 -3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.905 3.560 -3.517 1.00 0.00 H new ATOM 1458 N ILE A 98 9.343 4.688 -2.270 1.00 0.00 N ATOM 1459 CA ILE A 98 10.338 4.303 -1.269 1.00 0.00 C ATOM 1460 C ILE A 98 11.321 5.429 -1.121 1.00 0.00 C ATOM 1461 O ILE A 98 11.596 5.855 -0.014 1.00 0.00 O ATOM 1462 CB ILE A 98 11.128 3.045 -1.695 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.239 2.030 -2.380 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.895 2.409 -0.522 1.00 0.00 C ATOM 1465 CD1 ILE A 98 8.967 1.648 -1.628 1.00 0.00 C ATOM 0 H ILE A 98 9.516 4.270 -3.184 1.00 0.00 H new ATOM 0 HA ILE A 98 9.813 4.088 -0.338 1.00 0.00 H new ATOM 0 HB ILE A 98 11.871 3.379 -2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.957 2.422 -3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.821 1.125 -2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.433 1.529 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.605 3.131 -0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.191 2.116 0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.407 0.916 -2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.231 1.219 -0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.354 2.536 -1.475 1.00 0.00 H new ATOM 1477 N ASP A 99 11.875 5.882 -2.231 1.00 0.00 N ATOM 1478 CA ASP A 99 12.878 6.917 -2.337 1.00 0.00 C ATOM 1479 C ASP A 99 12.348 8.199 -1.717 1.00 0.00 C ATOM 1480 O ASP A 99 13.072 8.912 -1.025 1.00 0.00 O ATOM 1481 CB ASP A 99 13.253 7.080 -3.810 1.00 0.00 C ATOM 1482 CG ASP A 99 14.527 7.903 -3.912 1.00 0.00 C ATOM 1483 OD1 ASP A 99 15.603 7.295 -3.710 1.00 0.00 O ATOM 1484 OD2 ASP A 99 14.481 9.129 -4.168 1.00 0.00 O ATOM 0 H ASP A 99 11.615 5.508 -3.144 1.00 0.00 H new ATOM 0 HA ASP A 99 13.783 6.651 -1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.399 6.103 -4.271 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.444 7.571 -4.352 1.00 0.00 H new ATOM 1489 N ALA A 100 11.034 8.388 -1.852 1.00 0.00 N ATOM 1490 CA ALA A 100 10.324 9.490 -1.237 1.00 0.00 C ATOM 1491 C ALA A 100 10.222 9.229 0.268 1.00 0.00 C ATOM 1492 O ALA A 100 10.728 10.004 1.074 1.00 0.00 O ATOM 1493 CB ALA A 100 8.946 9.654 -1.895 1.00 0.00 C ATOM 0 H ALA A 100 10.435 7.769 -2.399 1.00 0.00 H new ATOM 0 HA ALA A 100 10.862 10.427 -1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.416 10.485 -1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.072 9.856 -2.959 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.370 8.738 -1.766 1.00 0.00 H new ATOM 1499 N PHE A 101 9.560 8.140 0.664 1.00 0.00 N ATOM 1500 CA PHE A 101 9.268 7.782 2.054 1.00 0.00 C ATOM 1501 C PHE A 101 10.523 7.734 2.919 1.00 0.00 C ATOM 1502 O PHE A 101 10.491 8.142 4.088 1.00 0.00 O ATOM 1503 CB PHE A 101 8.562 6.417 2.033 1.00 0.00 C ATOM 1504 CG PHE A 101 8.581 5.564 3.283 1.00 0.00 C ATOM 1505 CD1 PHE A 101 9.682 4.720 3.528 1.00 0.00 C ATOM 1506 CD2 PHE A 101 7.469 5.527 4.143 1.00 0.00 C ATOM 1507 CE1 PHE A 101 9.707 3.908 4.675 1.00 0.00 C ATOM 1508 CE2 PHE A 101 7.469 4.658 5.248 1.00 0.00 C ATOM 1509 CZ PHE A 101 8.589 3.862 5.525 1.00 0.00 C ATOM 0 H PHE A 101 9.198 7.456 -0.001 1.00 0.00 H new ATOM 0 HA PHE A 101 8.631 8.546 2.501 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.519 6.590 1.768 1.00 0.00 H new ATOM 0 HB3 PHE A 101 9.003 5.830 1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 101 10.508 4.697 2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.618 6.164 3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 101 10.584 3.320 4.903 1.00 0.00 H new ATOM 0 HE2 PHE A 101 6.600 4.603 5.888 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.593 3.215 6.390 1.00 0.00 H new ATOM 1519 N SER A 102 11.592 7.179 2.353 1.00 0.00 N ATOM 1520 CA SER A 102 12.837 6.884 3.031 1.00 0.00 C ATOM 1521 C SER A 102 13.519 8.202 3.362 1.00 0.00 C ATOM 1522 O SER A 102 13.796 8.463 4.530 1.00 0.00 O ATOM 1523 CB SER A 102 13.689 5.920 2.192 1.00 0.00 C ATOM 1524 OG SER A 102 13.996 6.407 0.903 1.00 0.00 O ATOM 0 H SER A 102 11.608 6.914 1.368 1.00 0.00 H new ATOM 0 HA SER A 102 12.668 6.361 3.972 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.618 5.714 2.723 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.160 4.972 2.096 1.00 0.00 H new ATOM 0 HG SER A 102 13.191 6.384 0.344 1.00 0.00 H new ATOM 1530 N GLU A 103 13.660 9.096 2.377 1.00 0.00 N ATOM 1531 CA GLU A 103 14.220 10.422 2.600 1.00 0.00 C ATOM 1532 C GLU A 103 13.113 11.381 3.048 1.00 0.00 C ATOM 1533 O GLU A 103 13.187 12.591 2.843 1.00 0.00 O ATOM 1534 CB GLU A 103 14.832 10.875 1.257 1.00 0.00 C ATOM 1535 CG GLU A 103 15.926 9.925 0.735 1.00 0.00 C ATOM 1536 CD GLU A 103 17.319 10.335 1.209 1.00 0.00 C ATOM 1537 OE1 GLU A 103 17.852 11.376 0.756 1.00 0.00 O ATOM 1538 OE2 GLU A 103 17.905 9.585 2.025 1.00 0.00 O ATOM 0 H GLU A 103 13.389 8.917 1.410 1.00 0.00 H new ATOM 0 HA GLU A 103 14.980 10.412 3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 103 14.040 10.950 0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.254 11.873 1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.714 8.910 1.070 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.904 9.912 -0.355 1.00 0.00 H new ATOM 1545 N GLY A 104 12.173 10.874 3.846 1.00 0.00 N ATOM 1546 CA GLY A 104 11.132 11.614 4.516 1.00 0.00 C ATOM 1547 C GLY A 104 10.252 12.512 3.638 1.00 0.00 C ATOM 1548 O GLY A 104 9.516 13.324 4.197 1.00 0.00 O ATOM 0 H GLY A 104 12.125 9.875 4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.486 10.903 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.595 12.236 5.282 1.00 0.00 H new ATOM 1552 N ARG A 105 10.275 12.408 2.302 1.00 0.00 N ATOM 1553 CA ARG A 105 9.491 13.301 1.449 1.00 0.00 C ATOM 1554 C ARG A 105 8.058 12.802 1.247 1.00 0.00 C ATOM 1555 O ARG A 105 7.450 13.127 0.218 1.00 0.00 O ATOM 1556 CB ARG A 105 10.134 13.349 0.046 1.00 0.00 C ATOM 1557 CG ARG A 105 11.603 13.790 -0.035 1.00 0.00 C ATOM 1558 CD ARG A 105 11.993 14.159 -1.478 1.00 0.00 C ATOM 1559 NE ARG A 105 11.742 15.585 -1.759 1.00 0.00 N ATOM 1560 CZ ARG A 105 11.780 16.202 -2.946 1.00 0.00 C ATOM 1561 NH1 ARG A 105 12.017 15.535 -4.067 1.00 0.00 N ATOM 1562 NH2 ARG A 105 11.605 17.516 -2.987 1.00 0.00 N ATOM 0 H ARG A 105 10.826 11.717 1.794 1.00 0.00 H new ATOM 0 HA ARG A 105 9.474 14.274 1.940 1.00 0.00 H new ATOM 0 HB2 ARG A 105 10.054 12.356 -0.397 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.543 14.024 -0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.765 14.647 0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 105 12.247 12.988 0.325 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.048 13.936 -1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.426 13.544 -2.177 1.00 0.00 H new ATOM 0 HE ARG A 105 11.513 16.169 -0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 105 12.176 14.528 -4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 105 12.041 16.029 -4.959 1.00 0.00 H new ATOM 0 HH21 ARG A 105 11.445 18.036 -2.124 1.00 0.00 H new ATOM 0 HH22 ARG A 105 11.630 18.006 -3.881 1.00 0.00 H new ATOM 1576 N LEU A 106 7.422 12.191 2.246 1.00 0.00 N ATOM 1577 CA LEU A 106 6.038 11.754 2.154 1.00 0.00 C ATOM 1578 C LEU A 106 5.290 12.160 3.428 1.00 0.00 C ATOM 1579 O LEU A 106 5.854 12.789 4.324 1.00 0.00 O ATOM 1580 CB LEU A 106 5.921 10.236 1.919 1.00 0.00 C ATOM 1581 CG LEU A 106 6.350 9.649 0.561 1.00 0.00 C ATOM 1582 CD1 LEU A 106 5.864 8.196 0.487 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.758 10.343 -0.669 1.00 0.00 C ATOM 0 H LEU A 106 7.859 11.986 3.145 1.00 0.00 H new ATOM 0 HA LEU A 106 5.587 12.243 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.508 9.739 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.880 9.958 2.082 1.00 0.00 H new ATOM 0 HG LEU A 106 7.432 9.774 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.158 7.762 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.310 7.621 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.778 8.170 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.122 9.854 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.670 10.279 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.060 11.390 -0.676 1.00 0.00 H new ATOM 1595 N GLU A 107 4.005 11.812 3.516 1.00 0.00 N ATOM 1596 CA GLU A 107 3.057 12.294 4.516 1.00 0.00 C ATOM 1597 C GLU A 107 2.381 11.094 5.175 1.00 0.00 C ATOM 1598 O GLU A 107 2.244 10.059 4.530 1.00 0.00 O ATOM 1599 CB GLU A 107 1.993 13.130 3.804 1.00 0.00 C ATOM 1600 CG GLU A 107 2.540 14.353 3.072 1.00 0.00 C ATOM 1601 CD GLU A 107 2.393 15.572 3.984 1.00 0.00 C ATOM 1602 OE1 GLU A 107 3.296 15.811 4.815 1.00 0.00 O ATOM 1603 OE2 GLU A 107 1.307 16.208 3.924 1.00 0.00 O ATOM 0 H GLU A 107 3.580 11.156 2.861 1.00 0.00 H new ATOM 0 HA GLU A 107 3.570 12.891 5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.469 12.497 3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.256 13.459 4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.587 14.200 2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.998 14.510 2.140 1.00 0.00 H new ATOM 1610 N GLU A 108 1.914 11.215 6.416 1.00 0.00 N ATOM 1611 CA GLU A 108 1.323 10.149 7.201 1.00 0.00 C ATOM 1612 C GLU A 108 -0.188 10.254 7.032 1.00 0.00 C ATOM 1613 O GLU A 108 -0.875 11.013 7.721 1.00 0.00 O ATOM 1614 CB GLU A 108 1.795 10.310 8.655 1.00 0.00 C ATOM 1615 CG GLU A 108 1.211 9.253 9.591 1.00 0.00 C ATOM 1616 CD GLU A 108 1.769 9.315 11.011 1.00 0.00 C ATOM 1617 OE1 GLU A 108 2.947 8.973 11.204 1.00 0.00 O ATOM 1618 OE2 GLU A 108 1.036 9.735 11.937 1.00 0.00 O ATOM 0 H GLU A 108 1.942 12.102 6.919 1.00 0.00 H new ATOM 0 HA GLU A 108 1.626 9.153 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.883 10.254 8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.516 11.300 9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.128 9.373 9.630 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.407 8.264 9.176 1.00 0.00 H new ATOM 1625 N LEU A 109 -0.708 9.540 6.041 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.105 9.568 5.653 1.00 0.00 C ATOM 1627 C LEU A 109 -2.922 8.592 6.503 1.00 0.00 C ATOM 1628 O LEU A 109 -3.706 7.790 5.999 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.223 9.327 4.142 1.00 0.00 C ATOM 1630 CG LEU A 109 -3.567 9.846 3.603 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -3.649 11.375 3.554 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -3.836 9.269 2.220 1.00 0.00 C ATOM 0 H LEU A 109 -0.148 8.907 5.470 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.531 10.552 5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.403 9.826 3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.130 8.261 3.932 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.332 9.511 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.622 11.675 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.520 11.779 4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.864 11.761 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.790 9.643 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.039 9.569 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.872 8.181 2.280 1.00 0.00 H new ATOM 1644 N THR A 110 -2.772 8.632 7.825 1.00 0.00 N ATOM 1645 CA THR A 110 -3.425 7.684 8.727 1.00 0.00 C ATOM 1646 C THR A 110 -4.844 8.167 9.075 1.00 0.00 C ATOM 1647 O THR A 110 -5.384 7.875 10.146 1.00 0.00 O ATOM 1648 CB THR A 110 -2.512 7.612 9.967 1.00 0.00 C ATOM 1649 OG1 THR A 110 -2.197 8.926 10.393 1.00 0.00 O ATOM 1650 CG2 THR A 110 -1.191 6.917 9.607 1.00 0.00 C ATOM 0 H THR A 110 -2.194 9.323 8.302 1.00 0.00 H new ATOM 0 HA THR A 110 -3.551 6.697 8.281 1.00 0.00 H new ATOM 0 HB THR A 110 -3.032 7.059 10.749 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.618 8.884 11.182 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.552 6.871 10.489 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.396 5.906 9.254 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.686 7.480 8.822 1.00 0.00 H new ATOM 1658 N THR A 111 -5.522 8.773 8.103 1.00 0.00 N ATOM 1659 CA THR A 111 -6.677 9.644 8.254 1.00 0.00 C ATOM 1660 C THR A 111 -6.889 10.261 6.870 1.00 0.00 C ATOM 1661 O THR A 111 -6.068 11.056 6.404 1.00 0.00 O ATOM 1662 CB THR A 111 -6.508 10.675 9.405 1.00 0.00 C ATOM 1663 OG1 THR A 111 -7.500 11.668 9.284 1.00 0.00 O ATOM 1664 CG2 THR A 111 -5.170 11.422 9.481 1.00 0.00 C ATOM 0 H THR A 111 -5.258 8.658 7.124 1.00 0.00 H new ATOM 0 HA THR A 111 -7.568 9.099 8.566 1.00 0.00 H new ATOM 0 HB THR A 111 -6.577 10.063 10.304 1.00 0.00 H new ATOM 0 HG1 THR A 111 -7.400 12.321 10.008 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.184 12.109 10.327 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.360 10.705 9.610 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.014 11.984 8.560 1.00 0.00 H new ATOM 1672 N PHE A 112 -7.922 9.807 6.167 1.00 0.00 N ATOM 1673 CA PHE A 112 -8.475 10.313 4.922 1.00 0.00 C ATOM 1674 C PHE A 112 -9.791 9.569 4.708 1.00 0.00 C ATOM 1675 O PHE A 112 -10.036 8.541 5.347 1.00 0.00 O ATOM 1676 CB PHE A 112 -7.569 10.072 3.716 1.00 0.00 C ATOM 1677 CG PHE A 112 -7.248 8.627 3.405 1.00 0.00 C ATOM 1678 CD1 PHE A 112 -6.389 7.886 4.233 1.00 0.00 C ATOM 1679 CD2 PHE A 112 -7.794 8.030 2.259 1.00 0.00 C ATOM 1680 CE1 PHE A 112 -6.038 6.571 3.903 1.00 0.00 C ATOM 1681 CE2 PHE A 112 -7.471 6.704 1.949 1.00 0.00 C ATOM 1682 CZ PHE A 112 -6.592 5.974 2.764 1.00 0.00 C ATOM 0 H PHE A 112 -8.443 8.992 6.491 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.597 11.393 5.001 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -8.040 10.516 2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -6.632 10.605 3.879 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.995 8.335 5.133 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -8.460 8.590 1.620 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.345 6.021 4.523 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -7.902 6.238 1.075 1.00 0.00 H new ATOM 0 HZ PHE A 112 -6.343 4.953 2.513 1.00 0.00 H new ATOM 1692 N THR A 113 -10.597 10.031 3.761 1.00 0.00 N ATOM 1693 CA THR A 113 -11.872 9.410 3.422 1.00 0.00 C ATOM 1694 C THR A 113 -12.098 9.467 1.905 1.00 0.00 C ATOM 1695 O THR A 113 -11.391 10.216 1.214 1.00 0.00 O ATOM 1696 CB THR A 113 -12.997 10.089 4.220 1.00 0.00 C ATOM 1697 OG1 THR A 113 -13.119 11.469 3.945 1.00 0.00 O ATOM 1698 CG2 THR A 113 -12.867 9.941 5.739 1.00 0.00 C ATOM 0 H THR A 113 -10.382 10.856 3.201 1.00 0.00 H new ATOM 0 HA THR A 113 -11.867 8.356 3.698 1.00 0.00 H new ATOM 0 HB THR A 113 -13.885 9.555 3.882 1.00 0.00 H new ATOM 0 HG1 THR A 113 -13.850 11.846 4.479 1.00 0.00 H new ATOM 0 HG21 THR A 113 -13.700 10.448 6.227 1.00 0.00 H new ATOM 0 HG22 THR A 113 -12.881 8.884 6.004 1.00 0.00 H new ATOM 0 HG23 THR A 113 -11.928 10.386 6.069 1.00 0.00 H new ATOM 1706 N ARG A 114 -13.051 8.679 1.386 1.00 0.00 N ATOM 1707 CA ARG A 114 -13.455 8.668 -0.019 1.00 0.00 C ATOM 1708 C ARG A 114 -14.761 7.934 -0.197 1.00 0.00 C ATOM 1709 O ARG A 114 -14.977 6.864 0.375 1.00 0.00 O ATOM 1710 CB ARG A 114 -12.352 7.999 -0.875 1.00 0.00 C ATOM 1711 CG ARG A 114 -12.520 8.201 -2.387 1.00 0.00 C ATOM 1712 CD ARG A 114 -12.542 9.695 -2.721 1.00 0.00 C ATOM 1713 NE ARG A 114 -12.449 9.956 -4.157 1.00 0.00 N ATOM 1714 CZ ARG A 114 -12.629 11.154 -4.718 1.00 0.00 C ATOM 1715 NH1 ARG A 114 -13.226 12.139 -4.058 1.00 0.00 N ATOM 1716 NH2 ARG A 114 -12.189 11.358 -5.953 1.00 0.00 N ATOM 0 H ARG A 114 -13.575 8.013 1.954 1.00 0.00 H new ATOM 0 HA ARG A 114 -13.594 9.698 -0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.383 8.395 -0.572 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -12.340 6.930 -0.662 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -11.703 7.714 -2.919 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -13.445 7.732 -2.724 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -13.461 10.135 -2.335 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -11.714 10.189 -2.212 1.00 0.00 H new ATOM 0 HE ARG A 114 -12.232 9.171 -4.771 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -13.556 11.987 -3.105 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -13.354 13.047 -4.504 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -11.722 10.606 -6.459 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -12.318 12.267 -6.397 1.00 0.00 H new ATOM 1730 N GLU A 115 -15.581 8.490 -1.078 1.00 0.00 N ATOM 1731 CA GLU A 115 -16.736 7.842 -1.638 1.00 0.00 C ATOM 1732 C GLU A 115 -16.967 8.432 -3.027 1.00 0.00 C ATOM 1733 O GLU A 115 -17.400 9.580 -3.177 1.00 0.00 O ATOM 1734 CB GLU A 115 -17.933 8.058 -0.721 1.00 0.00 C ATOM 1735 CG GLU A 115 -19.174 7.391 -1.329 1.00 0.00 C ATOM 1736 CD GLU A 115 -20.438 7.716 -0.558 1.00 0.00 C ATOM 1737 OE1 GLU A 115 -20.905 8.876 -0.648 1.00 0.00 O ATOM 1738 OE2 GLU A 115 -21.065 6.794 0.020 1.00 0.00 O ATOM 0 H GLU A 115 -15.447 9.439 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 115 -16.589 6.766 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -17.729 7.640 0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.111 9.125 -0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.288 7.716 -2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.030 6.311 -1.348 1.00 0.00 H new ATOM 1745 N GLY A 116 -16.634 7.651 -4.043 1.00 0.00 N ATOM 1746 CA GLY A 116 -17.243 7.734 -5.365 1.00 0.00 C ATOM 1747 C GLY A 116 -18.307 6.660 -5.468 1.00 0.00 C ATOM 1748 O GLY A 116 -17.963 5.531 -5.869 1.00 0.00 O ATOM 0 H GLY A 116 -15.919 6.927 -3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -17.682 8.720 -5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -16.489 7.596 -6.140 1.00 0.00 H new TER 1752 GLY A 116