USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 759 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 THR OG1 : rot 96:sc= 0.913 USER MOD Set 1.2: A 67 THR OG1 : rot -76:sc= 0.434 USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0322) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -167:sc= 1.11 (180deg=0.996) USER MOD Single : A 7 LYS NZ :NH3+ -134:sc= 1.24 (180deg=-0.103) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0944 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 38:sc= 0.869 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 139:sc= 1.3 (180deg=1.07) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -176:sc= 1.17 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0076 F(o=-1.1,f=-0.0076) USER MOD Single : A 41 CYS SG : rot 180:sc= -0.076 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.0545 USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= -0.066 (180deg=-0.188) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00242 USER MOD Single : A 56 LYS NZ :NH3+ -166:sc=-0.00112 (180deg=-0.0427) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.0035 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 72:sc= -0.267 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -135:sc= 1.1 (180deg=-0.0241) USER MOD Single : A 85 HIS : no HD1:sc= -0.272 K(o=-0.27,f=-3.6!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.03 X(o=-0.03,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.974 15.847 -4.333 1.00 0.00 N ATOM 2 CA MET A 1 -3.725 14.633 -5.119 1.00 0.00 C ATOM 3 C MET A 1 -3.780 13.455 -4.152 1.00 0.00 C ATOM 4 O MET A 1 -2.879 13.273 -3.328 1.00 0.00 O ATOM 5 CB MET A 1 -2.369 14.713 -5.846 1.00 0.00 C ATOM 6 CG MET A 1 -2.413 14.023 -7.212 1.00 0.00 C ATOM 7 SD MET A 1 -3.042 15.037 -8.577 1.00 0.00 S ATOM 8 CE MET A 1 -1.629 16.145 -8.849 1.00 0.00 C ATOM 0 H1 MET A 1 -3.945 16.677 -4.958 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.910 15.784 -3.884 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.244 15.941 -3.599 1.00 0.00 H new ATOM 0 HA MET A 1 -4.478 14.514 -5.898 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.088 15.758 -5.976 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.599 14.250 -5.230 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.406 13.689 -7.464 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.033 13.131 -7.129 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.799 16.737 -9.748 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.518 16.810 -7.993 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.721 15.554 -8.970 1.00 0.00 H new ATOM 18 N GLU A 2 -4.858 12.678 -4.170 1.00 0.00 N ATOM 19 CA GLU A 2 -5.003 11.560 -3.248 1.00 0.00 C ATOM 20 C GLU A 2 -4.220 10.357 -3.781 1.00 0.00 C ATOM 21 O GLU A 2 -4.032 10.220 -4.994 1.00 0.00 O ATOM 22 CB GLU A 2 -6.488 11.266 -3.000 1.00 0.00 C ATOM 23 CG GLU A 2 -7.224 10.649 -4.195 1.00 0.00 C ATOM 24 CD GLU A 2 -8.743 10.749 -4.053 1.00 0.00 C ATOM 25 OE1 GLU A 2 -9.246 10.575 -2.918 1.00 0.00 O ATOM 26 OE2 GLU A 2 -9.404 10.989 -5.089 1.00 0.00 O ATOM 0 H GLU A 2 -5.641 12.802 -4.811 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.579 11.809 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.574 10.591 -2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.987 12.194 -2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.913 11.152 -5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.938 9.602 -4.294 1.00 0.00 H new ATOM 33 N VAL A 3 -3.757 9.511 -2.859 1.00 0.00 N ATOM 34 CA VAL A 3 -3.266 8.150 -3.070 1.00 0.00 C ATOM 35 C VAL A 3 -2.337 8.054 -4.286 1.00 0.00 C ATOM 36 O VAL A 3 -2.718 7.647 -5.392 1.00 0.00 O ATOM 37 CB VAL A 3 -4.441 7.154 -3.013 1.00 0.00 C ATOM 38 CG1 VAL A 3 -3.961 5.699 -2.938 1.00 0.00 C ATOM 39 CG2 VAL A 3 -5.252 7.410 -1.735 1.00 0.00 C ATOM 0 H VAL A 3 -3.713 9.779 -1.876 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.609 7.853 -2.253 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.028 7.300 -3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.823 5.033 -2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.363 5.467 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.356 5.561 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.086 6.709 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.611 7.272 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.636 8.430 -1.746 1.00 0.00 H new ATOM 49 N LYS A 4 -1.089 8.480 -4.079 1.00 0.00 N ATOM 50 CA LYS A 4 -0.072 8.467 -5.118 1.00 0.00 C ATOM 51 C LYS A 4 0.369 7.034 -5.355 1.00 0.00 C ATOM 52 O LYS A 4 1.095 6.478 -4.535 1.00 0.00 O ATOM 53 CB LYS A 4 1.113 9.347 -4.713 1.00 0.00 C ATOM 54 CG LYS A 4 1.777 9.880 -5.985 1.00 0.00 C ATOM 55 CD LYS A 4 3.080 10.599 -5.660 1.00 0.00 C ATOM 56 CE LYS A 4 3.717 11.210 -6.908 1.00 0.00 C ATOM 57 NZ LYS A 4 5.109 11.590 -6.623 1.00 0.00 N ATOM 0 H LYS A 4 -0.761 8.843 -3.184 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.483 8.872 -6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.775 10.173 -4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.828 8.772 -4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.974 9.055 -6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.098 10.563 -6.495 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.889 11.384 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.778 9.898 -5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.687 10.495 -7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.150 12.085 -7.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.467 12.197 -7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.150 12.108 -5.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.696 10.734 -6.557 1.00 0.00 H new ATOM 71 N ILE A 5 -0.115 6.403 -6.412 1.00 0.00 N ATOM 72 CA ILE A 5 0.330 5.075 -6.803 1.00 0.00 C ATOM 73 C ILE A 5 1.255 5.313 -7.980 1.00 0.00 C ATOM 74 O ILE A 5 0.778 5.764 -9.027 1.00 0.00 O ATOM 75 CB ILE A 5 -0.843 4.133 -7.135 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.803 3.983 -5.934 1.00 0.00 C ATOM 77 CG2 ILE A 5 -0.249 2.765 -7.501 1.00 0.00 C ATOM 78 CD1 ILE A 5 -3.168 3.410 -6.329 1.00 0.00 C ATOM 0 H ILE A 5 -0.829 6.798 -7.024 1.00 0.00 H new ATOM 0 HA ILE A 5 0.843 4.560 -5.991 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.420 4.546 -7.962 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.344 3.334 -5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.945 4.957 -5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.054 2.071 -7.742 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.408 2.873 -8.364 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.322 2.378 -6.657 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.798 3.328 -5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.644 4.071 -7.053 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.034 2.423 -6.771 1.00 0.00 H new ATOM 90 N GLU A 6 2.547 5.048 -7.821 1.00 0.00 N ATOM 91 CA GLU A 6 3.527 5.238 -8.879 1.00 0.00 C ATOM 92 C GLU A 6 4.586 4.143 -8.876 1.00 0.00 C ATOM 93 O GLU A 6 4.494 3.204 -8.086 1.00 0.00 O ATOM 94 CB GLU A 6 4.129 6.641 -8.853 1.00 0.00 C ATOM 95 CG GLU A 6 4.775 7.032 -7.515 1.00 0.00 C ATOM 96 CD GLU A 6 5.590 8.336 -7.609 1.00 0.00 C ATOM 97 OE1 GLU A 6 5.868 8.812 -8.739 1.00 0.00 O ATOM 98 OE2 GLU A 6 5.937 8.931 -6.561 1.00 0.00 O ATOM 0 H GLU A 6 2.944 4.694 -6.950 1.00 0.00 H new ATOM 0 HA GLU A 6 2.998 5.150 -9.828 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.880 6.715 -9.640 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.347 7.363 -9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.997 7.148 -6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.426 6.224 -7.180 1.00 0.00 H new ATOM 105 N LYS A 7 5.528 4.199 -9.827 1.00 0.00 N ATOM 106 CA LYS A 7 6.408 3.083 -10.142 1.00 0.00 C ATOM 107 C LYS A 7 7.889 3.494 -10.055 1.00 0.00 C ATOM 108 O LYS A 7 8.460 3.919 -11.063 1.00 0.00 O ATOM 109 CB LYS A 7 6.047 2.379 -11.458 1.00 0.00 C ATOM 110 CG LYS A 7 4.559 2.219 -11.810 1.00 0.00 C ATOM 111 CD LYS A 7 3.766 1.454 -10.754 1.00 0.00 C ATOM 112 CE LYS A 7 2.481 2.206 -10.378 1.00 0.00 C ATOM 113 NZ LYS A 7 1.338 1.854 -11.241 1.00 0.00 N ATOM 0 H LYS A 7 5.696 5.027 -10.398 1.00 0.00 H new ATOM 0 HA LYS A 7 6.247 2.327 -9.374 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.525 2.926 -12.271 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.493 1.385 -11.437 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.116 3.206 -11.942 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.473 1.701 -12.765 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.514 0.463 -11.131 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.381 1.311 -9.865 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.228 1.987 -9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.662 3.279 -10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.848 2.721 -11.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.681 1.345 -12.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.678 1.247 -10.713 1.00 0.00 H new ATOM 127 N PRO A 8 8.491 3.452 -8.857 1.00 0.00 N ATOM 128 CA PRO A 8 9.842 3.948 -8.623 1.00 0.00 C ATOM 129 C PRO A 8 10.928 2.947 -9.037 1.00 0.00 C ATOM 130 O PRO A 8 10.722 1.729 -8.976 1.00 0.00 O ATOM 131 CB PRO A 8 9.892 4.209 -7.119 1.00 0.00 C ATOM 132 CG PRO A 8 8.902 3.203 -6.525 1.00 0.00 C ATOM 133 CD PRO A 8 7.870 2.996 -7.622 1.00 0.00 C ATOM 0 HA PRO A 8 10.043 4.836 -9.222 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.896 4.059 -6.723 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.606 5.234 -6.884 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.396 2.267 -6.262 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.443 3.588 -5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.585 1.947 -7.695 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.961 3.560 -7.412 1.00 0.00 H new ATOM 141 N THR A 9 12.113 3.466 -9.374 1.00 0.00 N ATOM 142 CA THR A 9 13.326 2.680 -9.599 1.00 0.00 C ATOM 143 C THR A 9 13.646 1.848 -8.346 1.00 0.00 C ATOM 144 O THR A 9 13.463 2.335 -7.224 1.00 0.00 O ATOM 145 CB THR A 9 14.482 3.610 -10.019 1.00 0.00 C ATOM 146 OG1 THR A 9 15.660 2.880 -10.274 1.00 0.00 O ATOM 147 CG2 THR A 9 14.825 4.626 -8.938 1.00 0.00 C ATOM 0 H THR A 9 12.257 4.468 -9.500 1.00 0.00 H new ATOM 0 HA THR A 9 13.175 1.976 -10.417 1.00 0.00 H new ATOM 0 HB THR A 9 14.133 4.119 -10.917 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.375 3.495 -10.540 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.645 5.258 -9.280 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.952 5.245 -8.730 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.124 4.104 -8.029 1.00 0.00 H new ATOM 155 N PRO A 10 14.171 0.620 -8.493 1.00 0.00 N ATOM 156 CA PRO A 10 14.420 -0.241 -7.349 1.00 0.00 C ATOM 157 C PRO A 10 15.591 0.234 -6.487 1.00 0.00 C ATOM 158 O PRO A 10 15.585 -0.036 -5.285 1.00 0.00 O ATOM 159 CB PRO A 10 14.634 -1.636 -7.939 1.00 0.00 C ATOM 160 CG PRO A 10 15.176 -1.354 -9.339 1.00 0.00 C ATOM 161 CD PRO A 10 14.412 -0.098 -9.738 1.00 0.00 C ATOM 0 HA PRO A 10 13.581 -0.231 -6.653 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.339 -2.218 -7.346 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.704 -2.203 -7.976 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.253 -1.189 -9.332 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.984 -2.181 -10.023 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.990 0.508 -10.436 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.475 -0.349 -10.234 1.00 0.00 H new ATOM 169 N GLU A 11 16.558 0.963 -7.048 1.00 0.00 N ATOM 170 CA GLU A 11 17.710 1.446 -6.291 1.00 0.00 C ATOM 171 C GLU A 11 17.259 2.459 -5.236 1.00 0.00 C ATOM 172 O GLU A 11 17.659 2.371 -4.080 1.00 0.00 O ATOM 173 CB GLU A 11 18.729 2.095 -7.232 1.00 0.00 C ATOM 174 CG GLU A 11 19.246 1.176 -8.344 1.00 0.00 C ATOM 175 CD GLU A 11 20.340 1.897 -9.131 1.00 0.00 C ATOM 176 OE1 GLU A 11 20.009 2.743 -9.998 1.00 0.00 O ATOM 177 OE2 GLU A 11 21.537 1.663 -8.852 1.00 0.00 O ATOM 0 H GLU A 11 16.563 1.232 -8.032 1.00 0.00 H new ATOM 0 HA GLU A 11 18.180 0.598 -5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.274 2.975 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.577 2.444 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.639 0.254 -7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.429 0.896 -9.009 1.00 0.00 H new ATOM 184 N LYS A 12 16.351 3.373 -5.600 1.00 0.00 N ATOM 185 CA LYS A 12 15.776 4.352 -4.676 1.00 0.00 C ATOM 186 C LYS A 12 15.199 3.633 -3.464 1.00 0.00 C ATOM 187 O LYS A 12 15.440 4.029 -2.331 1.00 0.00 O ATOM 188 CB LYS A 12 14.706 5.178 -5.410 1.00 0.00 C ATOM 189 CG LYS A 12 14.148 6.366 -4.612 1.00 0.00 C ATOM 190 CD LYS A 12 14.905 7.665 -4.902 1.00 0.00 C ATOM 191 CE LYS A 12 14.253 8.820 -4.142 1.00 0.00 C ATOM 192 NZ LYS A 12 14.794 10.129 -4.554 1.00 0.00 N ATOM 0 H LYS A 12 15.994 3.453 -6.552 1.00 0.00 H new ATOM 0 HA LYS A 12 16.548 5.036 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 12 15.132 5.552 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.880 4.519 -5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.094 6.500 -4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.205 6.144 -3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.949 7.564 -4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.898 7.871 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.176 8.803 -4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.409 8.684 -3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.325 10.884 -4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.817 10.156 -4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.622 10.271 -5.570 1.00 0.00 H new ATOM 206 N LEU A 13 14.456 2.551 -3.684 1.00 0.00 N ATOM 207 CA LEU A 13 13.823 1.795 -2.611 1.00 0.00 C ATOM 208 C LEU A 13 14.865 1.184 -1.670 1.00 0.00 C ATOM 209 O LEU A 13 14.611 1.044 -0.469 1.00 0.00 O ATOM 210 CB LEU A 13 12.933 0.704 -3.221 1.00 0.00 C ATOM 211 CG LEU A 13 11.498 1.146 -3.558 1.00 0.00 C ATOM 212 CD1 LEU A 13 10.638 1.355 -2.317 1.00 0.00 C ATOM 213 CD2 LEU A 13 11.427 2.443 -4.366 1.00 0.00 C ATOM 0 H LEU A 13 14.277 2.174 -4.615 1.00 0.00 H new ATOM 0 HA LEU A 13 13.210 2.472 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.407 0.337 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.885 -0.135 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 13 11.116 0.319 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.637 1.666 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.576 0.422 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.085 2.126 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.384 2.691 -4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.890 3.251 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.956 2.313 -5.310 1.00 0.00 H new ATOM 225 N LYS A 14 16.042 0.818 -2.181 1.00 0.00 N ATOM 226 CA LYS A 14 17.152 0.388 -1.348 1.00 0.00 C ATOM 227 C LYS A 14 17.592 1.576 -0.479 1.00 0.00 C ATOM 228 O LYS A 14 17.631 1.432 0.745 1.00 0.00 O ATOM 229 CB LYS A 14 18.286 -0.171 -2.212 1.00 0.00 C ATOM 230 CG LYS A 14 17.860 -1.236 -3.250 1.00 0.00 C ATOM 231 CD LYS A 14 18.419 -2.632 -2.982 1.00 0.00 C ATOM 232 CE LYS A 14 17.552 -3.447 -2.016 1.00 0.00 C ATOM 233 NZ LYS A 14 16.373 -4.048 -2.679 1.00 0.00 N ATOM 0 H LYS A 14 16.246 0.813 -3.180 1.00 0.00 H new ATOM 0 HA LYS A 14 16.849 -0.425 -0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.762 0.656 -2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.040 -0.607 -1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 14 16.772 -1.291 -3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.182 -0.912 -4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.506 -3.170 -3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 14 19.425 -2.542 -2.572 1.00 0.00 H new ATOM 0 HE2 LYS A 14 18.156 -4.237 -1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.218 -2.804 -1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.821 -4.588 -1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.780 -3.295 -3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.689 -4.684 -3.439 1.00 0.00 H new ATOM 247 N GLU A 15 17.820 2.749 -1.083 1.00 0.00 N ATOM 248 CA GLU A 15 18.321 3.957 -0.405 1.00 0.00 C ATOM 249 C GLU A 15 17.410 4.384 0.736 1.00 0.00 C ATOM 250 O GLU A 15 17.854 4.591 1.866 1.00 0.00 O ATOM 251 CB GLU A 15 18.450 5.172 -1.340 1.00 0.00 C ATOM 252 CG GLU A 15 19.380 4.964 -2.525 1.00 0.00 C ATOM 253 CD GLU A 15 20.075 6.273 -2.917 1.00 0.00 C ATOM 254 OE1 GLU A 15 19.384 7.191 -3.429 1.00 0.00 O ATOM 255 OE2 GLU A 15 21.301 6.393 -2.663 1.00 0.00 O ATOM 0 H GLU A 15 17.658 2.890 -2.080 1.00 0.00 H new ATOM 0 HA GLU A 15 19.306 3.669 -0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.460 5.433 -1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.807 6.024 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 15 20.128 4.212 -2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.813 4.581 -3.374 1.00 0.00 H new ATOM 262 N LEU A 16 16.116 4.492 0.430 1.00 0.00 N ATOM 263 CA LEU A 16 15.050 4.941 1.324 1.00 0.00 C ATOM 264 C LEU A 16 14.957 4.105 2.605 1.00 0.00 C ATOM 265 O LEU A 16 14.273 4.506 3.550 1.00 0.00 O ATOM 266 CB LEU A 16 13.715 4.920 0.562 1.00 0.00 C ATOM 267 CG LEU A 16 13.558 5.991 -0.534 1.00 0.00 C ATOM 268 CD1 LEU A 16 12.168 5.866 -1.167 1.00 0.00 C ATOM 269 CD2 LEU A 16 13.771 7.413 -0.029 1.00 0.00 C ATOM 0 H LEU A 16 15.766 4.256 -0.498 1.00 0.00 H new ATOM 0 HA LEU A 16 15.284 5.957 1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.593 3.938 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.905 5.040 1.281 1.00 0.00 H new ATOM 0 HG LEU A 16 14.338 5.808 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.052 6.622 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.056 4.875 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.405 6.012 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.645 8.115 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.042 7.635 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.778 7.508 0.378 1.00 0.00 H new ATOM 281 N SER A 17 15.700 3.000 2.661 1.00 0.00 N ATOM 282 CA SER A 17 15.987 2.171 3.817 1.00 0.00 C ATOM 283 C SER A 17 14.782 1.312 4.196 1.00 0.00 C ATOM 284 O SER A 17 14.638 0.899 5.339 1.00 0.00 O ATOM 285 CB SER A 17 16.580 3.022 4.950 1.00 0.00 C ATOM 286 OG SER A 17 17.725 3.737 4.497 1.00 0.00 O ATOM 0 H SER A 17 16.153 2.636 1.823 1.00 0.00 H new ATOM 0 HA SER A 17 16.762 1.444 3.573 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.829 3.722 5.316 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.854 2.381 5.788 1.00 0.00 H new ATOM 0 HG SER A 17 17.575 4.047 3.579 1.00 0.00 H new ATOM 292 N VAL A 18 13.959 1.006 3.197 1.00 0.00 N ATOM 293 CA VAL A 18 12.769 0.180 3.230 1.00 0.00 C ATOM 294 C VAL A 18 13.035 -1.212 3.812 1.00 0.00 C ATOM 295 O VAL A 18 12.136 -1.787 4.408 1.00 0.00 O ATOM 296 CB VAL A 18 12.200 0.136 1.797 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.906 -0.663 1.700 1.00 0.00 C ATOM 298 CG2 VAL A 18 11.911 1.561 1.301 1.00 0.00 C ATOM 0 H VAL A 18 14.130 1.367 2.259 1.00 0.00 H new ATOM 0 HA VAL A 18 12.030 0.613 3.905 1.00 0.00 H new ATOM 0 HB VAL A 18 12.956 -0.353 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.552 -0.659 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.088 -1.690 2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.151 -0.212 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.510 1.519 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.184 2.035 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.834 2.141 1.302 1.00 0.00 H new ATOM 308 N GLU A 19 14.242 -1.769 3.697 1.00 0.00 N ATOM 309 CA GLU A 19 14.576 -3.030 4.366 1.00 0.00 C ATOM 310 C GLU A 19 14.508 -2.919 5.898 1.00 0.00 C ATOM 311 O GLU A 19 14.189 -3.898 6.570 1.00 0.00 O ATOM 312 CB GLU A 19 15.941 -3.535 3.880 1.00 0.00 C ATOM 313 CG GLU A 19 17.125 -2.636 4.248 1.00 0.00 C ATOM 314 CD GLU A 19 18.109 -3.309 5.212 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.632 -4.405 4.903 1.00 0.00 O ATOM 316 OE2 GLU A 19 18.344 -2.739 6.301 1.00 0.00 O ATOM 0 H GLU A 19 15.003 -1.369 3.149 1.00 0.00 H new ATOM 0 HA GLU A 19 13.821 -3.767 4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.114 -4.528 4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.908 -3.643 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.654 -2.350 3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.751 -1.718 4.701 1.00 0.00 H new ATOM 323 N LYS A 20 14.765 -1.729 6.446 1.00 0.00 N ATOM 324 CA LYS A 20 14.671 -1.445 7.875 1.00 0.00 C ATOM 325 C LYS A 20 13.240 -1.143 8.310 1.00 0.00 C ATOM 326 O LYS A 20 13.010 -1.030 9.515 1.00 0.00 O ATOM 327 CB LYS A 20 15.505 -0.203 8.250 1.00 0.00 C ATOM 328 CG LYS A 20 16.932 -0.170 7.703 1.00 0.00 C ATOM 329 CD LYS A 20 17.611 1.155 8.070 1.00 0.00 C ATOM 330 CE LYS A 20 18.456 1.128 9.347 1.00 0.00 C ATOM 331 NZ LYS A 20 19.843 0.708 9.069 1.00 0.00 N ATOM 0 H LYS A 20 15.050 -0.920 5.894 1.00 0.00 H new ATOM 0 HA LYS A 20 15.040 -2.341 8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.980 0.684 7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.551 -0.134 9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.504 -1.004 8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.917 -0.291 6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 20 18.248 1.460 7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.842 1.920 8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.459 2.118 9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.006 0.446 10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.388 0.701 9.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.841 -0.246 8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 20.280 1.374 8.400 1.00 0.00 H new ATOM 345 N TRP A 21 12.326 -0.856 7.383 1.00 0.00 N ATOM 346 CA TRP A 21 10.969 -0.426 7.720 1.00 0.00 C ATOM 347 C TRP A 21 10.201 -1.607 8.339 1.00 0.00 C ATOM 348 O TRP A 21 10.646 -2.750 8.215 1.00 0.00 O ATOM 349 CB TRP A 21 10.276 0.132 6.460 1.00 0.00 C ATOM 350 CG TRP A 21 10.759 1.455 5.922 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.905 2.091 6.267 1.00 0.00 C ATOM 352 CD2 TRP A 21 10.132 2.311 4.909 1.00 0.00 C ATOM 353 NE1 TRP A 21 12.039 3.247 5.530 1.00 0.00 N ATOM 354 CE2 TRP A 21 11.005 3.406 4.641 1.00 0.00 C ATOM 355 CE3 TRP A 21 8.928 2.272 4.170 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.730 4.376 3.668 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.608 3.276 3.227 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.509 4.328 2.975 1.00 0.00 C ATOM 0 H TRP A 21 12.505 -0.915 6.380 1.00 0.00 H new ATOM 0 HA TRP A 21 10.993 0.375 8.459 1.00 0.00 H new ATOM 0 HB2 TRP A 21 10.375 -0.609 5.667 1.00 0.00 H new ATOM 0 HB3 TRP A 21 9.212 0.226 6.677 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.608 1.743 7.009 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.812 3.905 5.632 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.237 1.457 4.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.449 5.152 3.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.668 3.236 2.697 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.263 5.093 2.254 1.00 0.00 H new ATOM 369 N PRO A 22 9.052 -1.373 8.993 1.00 0.00 N ATOM 370 CA PRO A 22 8.232 -2.461 9.499 1.00 0.00 C ATOM 371 C PRO A 22 7.610 -3.293 8.363 1.00 0.00 C ATOM 372 O PRO A 22 7.181 -2.774 7.323 1.00 0.00 O ATOM 373 CB PRO A 22 7.189 -1.794 10.399 1.00 0.00 C ATOM 374 CG PRO A 22 7.077 -0.375 9.853 1.00 0.00 C ATOM 375 CD PRO A 22 8.514 -0.089 9.423 1.00 0.00 C ATOM 0 HA PRO A 22 8.820 -3.187 10.061 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.233 -2.315 10.354 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.504 -1.796 11.443 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.380 -0.313 9.017 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.730 0.328 10.610 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.544 0.640 8.614 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.096 0.325 10.247 1.00 0.00 H new ATOM 383 N ILE A 23 7.555 -4.608 8.583 1.00 0.00 N ATOM 384 CA ILE A 23 6.833 -5.583 7.770 1.00 0.00 C ATOM 385 C ILE A 23 5.414 -5.663 8.331 1.00 0.00 C ATOM 386 O ILE A 23 5.218 -5.659 9.552 1.00 0.00 O ATOM 387 CB ILE A 23 7.545 -6.963 7.861 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.899 -6.881 7.131 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.751 -8.149 7.278 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.667 -8.197 6.985 1.00 0.00 C ATOM 0 H ILE A 23 8.037 -5.041 9.371 1.00 0.00 H new ATOM 0 HA ILE A 23 6.808 -5.292 6.720 1.00 0.00 H new ATOM 0 HB ILE A 23 7.655 -7.163 8.927 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.728 -6.472 6.135 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.533 -6.171 7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.331 -9.065 7.389 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.806 -8.251 7.811 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.554 -7.970 6.221 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.603 -8.016 6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.882 -8.604 7.973 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.064 -8.910 6.422 1.00 0.00 H new ATOM 402 N TRP A 24 4.429 -5.819 7.447 1.00 0.00 N ATOM 403 CA TRP A 24 3.082 -6.212 7.828 1.00 0.00 C ATOM 404 C TRP A 24 2.482 -7.020 6.682 1.00 0.00 C ATOM 405 O TRP A 24 2.558 -6.619 5.517 1.00 0.00 O ATOM 406 CB TRP A 24 2.255 -4.958 8.138 1.00 0.00 C ATOM 407 CG TRP A 24 0.806 -5.180 8.442 1.00 0.00 C ATOM 408 CD1 TRP A 24 0.248 -5.222 9.669 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.291 -5.368 7.504 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.119 -5.391 9.544 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.509 -5.488 8.227 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.367 -5.450 6.105 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.746 -5.655 7.586 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.584 -5.656 5.443 1.00 0.00 C ATOM 415 CH2 TRP A 24 -2.771 -5.744 6.183 1.00 0.00 C ATOM 0 H TRP A 24 4.548 -5.675 6.444 1.00 0.00 H new ATOM 0 HA TRP A 24 3.089 -6.830 8.726 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.709 -4.450 8.988 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.327 -4.281 7.287 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.784 -5.137 10.603 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.762 -5.438 10.334 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.537 -5.352 5.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.660 -5.714 8.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.608 -5.747 4.367 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.712 -5.881 5.672 1.00 0.00 H new ATOM 426 N GLU A 25 1.874 -8.155 6.999 1.00 0.00 N ATOM 427 CA GLU A 25 1.253 -9.076 6.072 1.00 0.00 C ATOM 428 C GLU A 25 -0.209 -9.261 6.507 1.00 0.00 C ATOM 429 O GLU A 25 -0.624 -8.748 7.551 1.00 0.00 O ATOM 430 CB GLU A 25 2.013 -10.414 6.051 1.00 0.00 C ATOM 431 CG GLU A 25 3.486 -10.393 6.484 1.00 0.00 C ATOM 432 CD GLU A 25 3.685 -10.554 8.000 1.00 0.00 C ATOM 433 OE1 GLU A 25 2.878 -10.036 8.814 1.00 0.00 O ATOM 434 OE2 GLU A 25 4.654 -11.239 8.383 1.00 0.00 O ATOM 0 H GLU A 25 1.800 -8.471 7.966 1.00 0.00 H new ATOM 0 HA GLU A 25 1.285 -8.682 5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.482 -11.114 6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.965 -10.814 5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.019 -11.193 5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.936 -9.453 6.165 1.00 0.00 H new ATOM 441 N LYS A 26 -1.014 -9.987 5.733 1.00 0.00 N ATOM 442 CA LYS A 26 -2.385 -10.353 6.102 1.00 0.00 C ATOM 443 C LYS A 26 -2.738 -11.629 5.363 1.00 0.00 C ATOM 444 O LYS A 26 -2.108 -11.958 4.350 1.00 0.00 O ATOM 445 CB LYS A 26 -3.357 -9.232 5.711 1.00 0.00 C ATOM 446 CG LYS A 26 -4.178 -8.658 6.871 1.00 0.00 C ATOM 447 CD LYS A 26 -5.377 -9.529 7.232 1.00 0.00 C ATOM 448 CE LYS A 26 -6.221 -8.788 8.274 1.00 0.00 C ATOM 449 NZ LYS A 26 -7.571 -9.371 8.410 1.00 0.00 N ATOM 0 H LYS A 26 -0.731 -10.343 4.820 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.460 -10.503 7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.790 -8.423 5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.042 -9.612 4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.537 -8.549 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.526 -7.660 6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.972 -9.741 6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.043 -10.488 7.628 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.714 -8.818 9.239 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.306 -7.739 7.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.837 -9.400 9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.255 -8.788 7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.573 -10.337 8.024 1.00 0.00 H new ATOM 463 N GLU A 27 -3.770 -12.316 5.837 1.00 0.00 N ATOM 464 CA GLU A 27 -4.346 -13.414 5.093 1.00 0.00 C ATOM 465 C GLU A 27 -5.158 -12.912 3.903 1.00 0.00 C ATOM 466 O GLU A 27 -5.433 -11.716 3.765 1.00 0.00 O ATOM 467 CB GLU A 27 -5.158 -14.315 6.019 1.00 0.00 C ATOM 468 CG GLU A 27 -6.473 -13.779 6.608 1.00 0.00 C ATOM 469 CD GLU A 27 -6.311 -12.987 7.904 1.00 0.00 C ATOM 470 OE1 GLU A 27 -5.497 -13.384 8.773 1.00 0.00 O ATOM 471 OE2 GLU A 27 -6.995 -11.952 8.029 1.00 0.00 O ATOM 0 H GLU A 27 -4.220 -12.128 6.733 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.538 -14.018 4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.390 -15.228 5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.514 -14.598 6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.956 -13.143 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.143 -14.619 6.792 1.00 0.00 H new ATOM 478 N VAL A 28 -5.556 -13.855 3.057 1.00 0.00 N ATOM 479 CA VAL A 28 -6.340 -13.624 1.856 1.00 0.00 C ATOM 480 C VAL A 28 -7.815 -13.489 2.254 1.00 0.00 C ATOM 481 O VAL A 28 -8.622 -14.410 2.102 1.00 0.00 O ATOM 482 CB VAL A 28 -5.984 -14.708 0.816 1.00 0.00 C ATOM 483 CG1 VAL A 28 -6.218 -16.165 1.255 1.00 0.00 C ATOM 484 CG2 VAL A 28 -6.652 -14.420 -0.528 1.00 0.00 C ATOM 0 H VAL A 28 -5.331 -14.840 3.197 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.107 -12.685 1.355 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.902 -14.634 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.934 -16.839 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.614 -16.381 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.272 -16.308 1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.384 -15.199 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.734 -14.402 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.315 -13.453 -0.902 1.00 0.00 H new ATOM 494 N SER A 29 -8.152 -12.350 2.848 1.00 0.00 N ATOM 495 CA SER A 29 -9.459 -12.009 3.379 1.00 0.00 C ATOM 496 C SER A 29 -9.722 -10.528 3.066 1.00 0.00 C ATOM 497 O SER A 29 -8.999 -9.925 2.272 1.00 0.00 O ATOM 498 CB SER A 29 -9.468 -12.393 4.865 1.00 0.00 C ATOM 499 OG SER A 29 -10.782 -12.425 5.382 1.00 0.00 O ATOM 0 H SER A 29 -7.476 -11.597 2.978 1.00 0.00 H new ATOM 0 HA SER A 29 -10.285 -12.556 2.924 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.002 -13.370 4.993 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.870 -11.678 5.431 1.00 0.00 H new ATOM 0 HG SER A 29 -10.755 -12.674 6.329 1.00 0.00 H new ATOM 505 N GLU A 30 -10.775 -9.923 3.611 1.00 0.00 N ATOM 506 CA GLU A 30 -11.151 -8.566 3.232 1.00 0.00 C ATOM 507 C GLU A 30 -11.800 -7.820 4.384 1.00 0.00 C ATOM 508 O GLU A 30 -12.452 -8.415 5.245 1.00 0.00 O ATOM 509 CB GLU A 30 -12.065 -8.599 2.004 1.00 0.00 C ATOM 510 CG GLU A 30 -13.400 -9.331 2.225 1.00 0.00 C ATOM 511 CD GLU A 30 -14.602 -8.447 1.908 1.00 0.00 C ATOM 512 OE1 GLU A 30 -14.662 -7.861 0.804 1.00 0.00 O ATOM 513 OE2 GLU A 30 -15.500 -8.317 2.770 1.00 0.00 O ATOM 0 H GLU A 30 -11.380 -10.350 4.313 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.243 -8.020 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.273 -7.575 1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.533 -9.079 1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.432 -10.222 1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.461 -9.667 3.260 1.00 0.00 H new ATOM 520 N PHE A 31 -11.607 -6.508 4.383 1.00 0.00 N ATOM 521 CA PHE A 31 -11.954 -5.591 5.448 1.00 0.00 C ATOM 522 C PHE A 31 -11.945 -4.182 4.853 1.00 0.00 C ATOM 523 O PHE A 31 -11.959 -4.006 3.631 1.00 0.00 O ATOM 524 CB PHE A 31 -10.960 -5.770 6.614 1.00 0.00 C ATOM 525 CG PHE A 31 -9.490 -5.811 6.226 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.756 -4.618 6.076 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.860 -7.055 6.007 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.397 -4.667 5.723 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.504 -7.106 5.644 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.778 -5.912 5.504 1.00 0.00 C ATOM 0 H PHE A 31 -11.178 -6.032 3.589 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.945 -5.782 5.859 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.108 -4.954 7.322 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.205 -6.694 7.137 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.239 -3.665 6.233 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.422 -7.970 6.119 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.830 -3.754 5.620 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.023 -8.058 5.474 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.735 -5.949 5.226 1.00 0.00 H new ATOM 540 N ASP A 32 -11.929 -3.154 5.694 1.00 0.00 N ATOM 541 CA ASP A 32 -11.725 -1.777 5.292 1.00 0.00 C ATOM 542 C ASP A 32 -10.646 -1.158 6.162 1.00 0.00 C ATOM 543 O ASP A 32 -10.346 -1.677 7.242 1.00 0.00 O ATOM 544 CB ASP A 32 -13.044 -1.006 5.390 1.00 0.00 C ATOM 545 CG ASP A 32 -13.420 -0.626 6.821 1.00 0.00 C ATOM 546 OD1 ASP A 32 -12.870 0.359 7.356 1.00 0.00 O ATOM 547 OD2 ASP A 32 -14.326 -1.271 7.395 1.00 0.00 O ATOM 0 H ASP A 32 -12.062 -3.264 6.699 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.394 -1.733 4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.972 -0.100 4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.843 -1.611 4.961 1.00 0.00 H new ATOM 552 N TRP A 33 -10.072 -0.047 5.706 1.00 0.00 N ATOM 553 CA TRP A 33 -9.056 0.674 6.452 1.00 0.00 C ATOM 554 C TRP A 33 -9.380 2.166 6.491 1.00 0.00 C ATOM 555 O TRP A 33 -10.121 2.679 5.643 1.00 0.00 O ATOM 556 CB TRP A 33 -7.683 0.376 5.844 1.00 0.00 C ATOM 557 CG TRP A 33 -6.560 0.478 6.818 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.744 1.537 7.007 1.00 0.00 C ATOM 559 CD2 TRP A 33 -6.117 -0.542 7.755 1.00 0.00 C ATOM 560 NE1 TRP A 33 -4.814 1.231 7.979 1.00 0.00 N ATOM 561 CE2 TRP A 33 -4.979 -0.052 8.457 1.00 0.00 C ATOM 562 CE3 TRP A 33 -6.558 -1.844 8.067 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -4.283 -0.842 9.384 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -5.869 -2.645 8.992 1.00 0.00 C ATOM 565 CH2 TRP A 33 -4.722 -2.154 9.635 1.00 0.00 C ATOM 0 H TRP A 33 -10.302 0.375 4.807 1.00 0.00 H new ATOM 0 HA TRP A 33 -9.038 0.339 7.489 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.694 -0.628 5.420 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.502 1.068 5.021 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.809 2.477 6.479 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -4.093 1.875 8.304 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.443 -2.233 7.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.420 -0.447 9.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -6.223 -3.642 9.209 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.177 -2.784 10.322 1.00 0.00 H new ATOM 576 N TYR A 34 -8.818 2.867 7.473 1.00 0.00 N ATOM 577 CA TYR A 34 -8.945 4.304 7.645 1.00 0.00 C ATOM 578 C TYR A 34 -7.537 4.830 7.899 1.00 0.00 C ATOM 579 O TYR A 34 -7.015 4.742 9.015 1.00 0.00 O ATOM 580 CB TYR A 34 -9.949 4.647 8.758 1.00 0.00 C ATOM 581 CG TYR A 34 -10.501 6.060 8.688 1.00 0.00 C ATOM 582 CD1 TYR A 34 -9.650 7.174 8.837 1.00 0.00 C ATOM 583 CD2 TYR A 34 -11.880 6.260 8.477 1.00 0.00 C ATOM 584 CE1 TYR A 34 -10.160 8.482 8.763 1.00 0.00 C ATOM 585 CE2 TYR A 34 -12.404 7.562 8.412 1.00 0.00 C ATOM 586 CZ TYR A 34 -11.548 8.678 8.559 1.00 0.00 C ATOM 587 OH TYR A 34 -12.083 9.927 8.465 1.00 0.00 O ATOM 0 H TYR A 34 -8.243 2.431 8.193 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.356 4.787 6.759 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.779 3.942 8.712 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.465 4.506 9.724 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.595 7.021 9.010 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.536 5.410 8.365 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.499 9.330 8.861 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.461 7.711 8.250 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.050 9.859 8.324 1.00 0.00 H new ATOM 597 N TYR A 35 -6.889 5.306 6.840 1.00 0.00 N ATOM 598 CA TYR A 35 -5.572 5.916 6.913 1.00 0.00 C ATOM 599 C TYR A 35 -5.745 7.273 7.577 1.00 0.00 C ATOM 600 O TYR A 35 -6.553 8.080 7.122 1.00 0.00 O ATOM 601 CB TYR A 35 -4.961 6.022 5.512 1.00 0.00 C ATOM 602 CG TYR A 35 -4.646 4.656 4.938 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.473 4.002 5.350 1.00 0.00 C ATOM 604 CD2 TYR A 35 -5.556 3.993 4.089 1.00 0.00 C ATOM 605 CE1 TYR A 35 -3.211 2.689 4.938 1.00 0.00 C ATOM 606 CE2 TYR A 35 -5.292 2.677 3.661 1.00 0.00 C ATOM 607 CZ TYR A 35 -4.118 2.019 4.097 1.00 0.00 C ATOM 608 OH TYR A 35 -3.831 0.749 3.707 1.00 0.00 O ATOM 0 H TYR A 35 -7.272 5.277 5.895 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.880 5.313 7.501 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.652 6.545 4.851 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.050 6.618 5.556 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.769 4.515 5.988 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.456 4.495 3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.311 2.190 5.267 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.983 2.172 3.002 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.515 0.437 3.078 1.00 0.00 H new ATOM 618 N ASP A 36 -5.035 7.513 8.677 1.00 0.00 N ATOM 619 CA ASP A 36 -5.232 8.690 9.522 1.00 0.00 C ATOM 620 C ASP A 36 -3.940 9.461 9.778 1.00 0.00 C ATOM 621 O ASP A 36 -3.988 10.500 10.426 1.00 0.00 O ATOM 622 CB ASP A 36 -5.952 8.322 10.821 1.00 0.00 C ATOM 623 CG ASP A 36 -5.047 7.969 11.996 1.00 0.00 C ATOM 624 OD1 ASP A 36 -4.525 6.833 12.027 1.00 0.00 O ATOM 625 OD2 ASP A 36 -4.927 8.795 12.929 1.00 0.00 O ATOM 0 H ASP A 36 -4.299 6.890 9.011 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.877 9.372 8.968 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.588 9.158 11.113 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.609 7.475 10.624 1.00 0.00 H new ATOM 630 N THR A 37 -2.824 9.009 9.210 1.00 0.00 N ATOM 631 CA THR A 37 -1.561 9.724 9.034 1.00 0.00 C ATOM 632 C THR A 37 -0.988 9.363 7.658 1.00 0.00 C ATOM 633 O THR A 37 -1.597 8.573 6.933 1.00 0.00 O ATOM 634 CB THR A 37 -0.624 9.503 10.237 1.00 0.00 C ATOM 635 OG1 THR A 37 -0.711 8.205 10.797 1.00 0.00 O ATOM 636 CG2 THR A 37 -0.958 10.512 11.337 1.00 0.00 C ATOM 0 H THR A 37 -2.775 8.063 8.832 1.00 0.00 H new ATOM 0 HA THR A 37 -1.708 10.804 9.029 1.00 0.00 H new ATOM 0 HB THR A 37 0.389 9.632 9.856 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.091 8.132 11.553 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.295 10.355 12.188 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.825 11.524 10.955 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.992 10.376 11.653 1.00 0.00 H new ATOM 644 N ASN A 38 0.113 9.999 7.247 1.00 0.00 N ATOM 645 CA ASN A 38 0.731 9.723 5.952 1.00 0.00 C ATOM 646 C ASN A 38 1.282 8.312 6.046 1.00 0.00 C ATOM 647 O ASN A 38 1.868 7.947 7.070 1.00 0.00 O ATOM 648 CB ASN A 38 1.863 10.710 5.651 1.00 0.00 C ATOM 649 CG ASN A 38 1.433 12.162 5.770 1.00 0.00 C ATOM 650 OD1 ASN A 38 1.886 12.840 6.811 1.00 0.00 O flip ATOM 651 ND2 ASN A 38 0.700 12.688 4.932 1.00 0.00 N flip ATOM 0 H ASN A 38 0.594 10.711 7.797 1.00 0.00 H new ATOM 0 HA ASN A 38 0.004 9.826 5.147 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.691 10.525 6.336 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.237 10.529 4.643 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.363 12.145 4.137 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.430 13.666 5.033 1.00 0.00 H new ATOM 658 N GLU A 39 1.096 7.507 5.008 1.00 0.00 N ATOM 659 CA GLU A 39 1.551 6.132 5.039 1.00 0.00 C ATOM 660 C GLU A 39 2.070 5.758 3.669 1.00 0.00 C ATOM 661 O GLU A 39 1.284 5.522 2.745 1.00 0.00 O ATOM 662 CB GLU A 39 0.434 5.210 5.531 1.00 0.00 C ATOM 663 CG GLU A 39 1.026 3.848 5.911 1.00 0.00 C ATOM 664 CD GLU A 39 -0.017 2.939 6.551 1.00 0.00 C ATOM 665 OE1 GLU A 39 -0.787 3.412 7.419 1.00 0.00 O ATOM 666 OE2 GLU A 39 -0.066 1.751 6.160 1.00 0.00 O ATOM 0 H GLU A 39 0.636 7.784 4.141 1.00 0.00 H new ATOM 0 HA GLU A 39 2.371 6.016 5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.066 5.654 6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.320 5.087 4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.432 3.366 5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.856 3.992 6.602 1.00 0.00 H new ATOM 673 N THR A 40 3.391 5.735 3.531 1.00 0.00 N ATOM 674 CA THR A 40 4.034 5.193 2.353 1.00 0.00 C ATOM 675 C THR A 40 4.159 3.686 2.562 1.00 0.00 C ATOM 676 O THR A 40 4.503 3.251 3.663 1.00 0.00 O ATOM 677 CB THR A 40 5.387 5.885 2.125 1.00 0.00 C ATOM 678 OG1 THR A 40 5.145 7.250 1.826 1.00 0.00 O ATOM 679 CG2 THR A 40 6.146 5.319 0.921 1.00 0.00 C ATOM 0 H THR A 40 4.039 6.092 4.233 1.00 0.00 H new ATOM 0 HA THR A 40 3.451 5.376 1.450 1.00 0.00 H new ATOM 0 HB THR A 40 5.978 5.733 3.028 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.224 7.783 2.645 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.094 5.845 0.808 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.337 4.257 1.078 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.548 5.451 0.019 1.00 0.00 H new ATOM 687 N CYS A 41 3.941 2.880 1.524 1.00 0.00 N ATOM 688 CA CYS A 41 4.387 1.503 1.530 1.00 0.00 C ATOM 689 C CYS A 41 4.827 1.052 0.147 1.00 0.00 C ATOM 690 O CYS A 41 4.463 1.651 -0.869 1.00 0.00 O ATOM 691 CB CYS A 41 3.318 0.569 2.106 1.00 0.00 C ATOM 692 SG CYS A 41 1.948 0.265 0.953 1.00 0.00 S ATOM 0 H CYS A 41 3.458 3.164 0.672 1.00 0.00 H new ATOM 0 HA CYS A 41 5.257 1.448 2.184 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.779 -0.382 2.373 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.923 1.001 3.026 1.00 0.00 H new ATOM 0 HG CYS A 41 1.084 -0.534 1.506 1.00 0.00 H new ATOM 698 N TYR A 42 5.574 -0.048 0.144 1.00 0.00 N ATOM 699 CA TYR A 42 6.102 -0.714 -1.024 1.00 0.00 C ATOM 700 C TYR A 42 5.642 -2.167 -0.986 1.00 0.00 C ATOM 701 O TYR A 42 6.017 -2.909 -0.076 1.00 0.00 O ATOM 702 CB TYR A 42 7.626 -0.583 -1.043 1.00 0.00 C ATOM 703 CG TYR A 42 8.220 -1.080 -2.338 1.00 0.00 C ATOM 704 CD1 TYR A 42 7.968 -0.373 -3.529 1.00 0.00 C ATOM 705 CD2 TYR A 42 8.961 -2.273 -2.359 1.00 0.00 C ATOM 706 CE1 TYR A 42 8.412 -0.874 -4.763 1.00 0.00 C ATOM 707 CE2 TYR A 42 9.397 -2.790 -3.594 1.00 0.00 C ATOM 708 CZ TYR A 42 9.091 -2.110 -4.795 1.00 0.00 C ATOM 709 OH TYR A 42 9.479 -2.627 -5.991 1.00 0.00 O ATOM 0 H TYR A 42 5.837 -0.519 1.010 1.00 0.00 H new ATOM 0 HA TYR A 42 5.734 -0.259 -1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.902 0.461 -0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.049 -1.146 -0.211 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.429 0.562 -3.493 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.194 -2.788 -1.439 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.236 -0.321 -5.674 1.00 0.00 H new ATOM 0 HE2 TYR A 42 9.966 -3.707 -3.624 1.00 0.00 H new ATOM 0 HH TYR A 42 9.935 -3.482 -5.845 1.00 0.00 H new ATOM 719 N ILE A 43 4.769 -2.527 -1.921 1.00 0.00 N ATOM 720 CA ILE A 43 4.183 -3.833 -2.164 1.00 0.00 C ATOM 721 C ILE A 43 5.267 -4.725 -2.771 1.00 0.00 C ATOM 722 O ILE A 43 5.696 -4.502 -3.904 1.00 0.00 O ATOM 723 CB ILE A 43 2.981 -3.697 -3.135 1.00 0.00 C ATOM 724 CG1 ILE A 43 1.976 -2.579 -2.764 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.267 -5.054 -3.235 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.247 -2.746 -1.425 1.00 0.00 C ATOM 0 H ILE A 43 4.423 -1.841 -2.592 1.00 0.00 H new ATOM 0 HA ILE A 43 3.817 -4.271 -1.236 1.00 0.00 H new ATOM 0 HB ILE A 43 3.389 -3.397 -4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.510 -1.629 -2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.229 -2.512 -3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.420 -4.970 -3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.962 -5.804 -3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.912 -5.352 -2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.570 -1.905 -1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.676 -3.674 -1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.976 -2.777 -0.615 1.00 0.00 H new ATOM 738 N LEU A 44 5.707 -5.737 -2.024 1.00 0.00 N ATOM 739 CA LEU A 44 6.773 -6.631 -2.465 1.00 0.00 C ATOM 740 C LEU A 44 6.211 -7.846 -3.179 1.00 0.00 C ATOM 741 O LEU A 44 6.808 -8.314 -4.147 1.00 0.00 O ATOM 742 CB LEU A 44 7.614 -7.070 -1.260 1.00 0.00 C ATOM 743 CG LEU A 44 8.482 -5.905 -0.762 1.00 0.00 C ATOM 744 CD1 LEU A 44 8.917 -6.140 0.678 1.00 0.00 C ATOM 745 CD2 LEU A 44 9.725 -5.709 -1.635 1.00 0.00 C ATOM 0 H LEU A 44 5.335 -5.958 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 44 7.404 -6.089 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.961 -7.414 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.248 -7.912 -1.538 1.00 0.00 H new ATOM 0 HG LEU A 44 7.871 -5.004 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.531 -5.304 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.037 -6.222 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.495 -7.062 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.313 -4.876 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.328 -6.617 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.420 -5.495 -2.659 1.00 0.00 H new ATOM 757 N GLU A 45 5.078 -8.368 -2.712 1.00 0.00 N ATOM 758 CA GLU A 45 4.422 -9.522 -3.300 1.00 0.00 C ATOM 759 C GLU A 45 2.974 -9.574 -2.811 1.00 0.00 C ATOM 760 O GLU A 45 2.645 -8.931 -1.811 1.00 0.00 O ATOM 761 CB GLU A 45 5.180 -10.806 -2.918 1.00 0.00 C ATOM 762 CG GLU A 45 5.167 -11.110 -1.411 1.00 0.00 C ATOM 763 CD GLU A 45 5.818 -12.453 -1.105 1.00 0.00 C ATOM 764 OE1 GLU A 45 5.274 -13.497 -1.544 1.00 0.00 O ATOM 765 OE2 GLU A 45 6.885 -12.475 -0.451 1.00 0.00 O ATOM 0 H GLU A 45 4.587 -7.991 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 45 4.425 -9.440 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.741 -11.648 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.214 -10.720 -3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.693 -10.320 -0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.139 -11.112 -1.048 1.00 0.00 H new ATOM 772 N GLY A 46 2.134 -10.376 -3.468 1.00 0.00 N ATOM 773 CA GLY A 46 0.711 -10.501 -3.165 1.00 0.00 C ATOM 774 C GLY A 46 -0.111 -9.500 -3.960 1.00 0.00 C ATOM 775 O GLY A 46 0.432 -8.787 -4.808 1.00 0.00 O ATOM 0 H GLY A 46 2.433 -10.969 -4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.376 -11.513 -3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.548 -10.344 -2.099 1.00 0.00 H new ATOM 779 N LYS A 47 -1.427 -9.457 -3.727 1.00 0.00 N ATOM 780 CA LYS A 47 -2.294 -8.537 -4.452 1.00 0.00 C ATOM 781 C LYS A 47 -3.441 -8.088 -3.572 1.00 0.00 C ATOM 782 O LYS A 47 -3.991 -8.864 -2.791 1.00 0.00 O ATOM 783 CB LYS A 47 -2.834 -9.184 -5.737 1.00 0.00 C ATOM 784 CG LYS A 47 -2.424 -8.405 -7.002 1.00 0.00 C ATOM 785 CD LYS A 47 -3.027 -7.003 -7.158 1.00 0.00 C ATOM 786 CE LYS A 47 -4.539 -7.037 -7.401 1.00 0.00 C ATOM 787 NZ LYS A 47 -4.887 -7.436 -8.782 1.00 0.00 N ATOM 0 H LYS A 47 -1.907 -10.046 -3.046 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.701 -7.666 -4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.466 -10.207 -5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.921 -9.239 -5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.338 -8.314 -7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.702 -8.997 -7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.820 -6.420 -6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.540 -6.492 -7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.000 -7.732 -6.699 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.958 -6.052 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.903 -7.280 -8.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.338 -6.866 -9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.665 -8.443 -8.919 1.00 0.00 H new ATOM 801 N VAL A 48 -3.868 -6.854 -3.791 1.00 0.00 N ATOM 802 CA VAL A 48 -4.926 -6.192 -3.058 1.00 0.00 C ATOM 803 C VAL A 48 -5.747 -5.409 -4.078 1.00 0.00 C ATOM 804 O VAL A 48 -5.234 -5.043 -5.141 1.00 0.00 O ATOM 805 CB VAL A 48 -4.278 -5.303 -1.968 1.00 0.00 C ATOM 806 CG1 VAL A 48 -5.260 -4.384 -1.224 1.00 0.00 C ATOM 807 CG2 VAL A 48 -3.551 -6.153 -0.915 1.00 0.00 C ATOM 0 H VAL A 48 -3.465 -6.263 -4.519 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.595 -6.881 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.583 -4.673 -2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.719 -3.799 -0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.739 -3.712 -1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.019 -4.988 -0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.107 -5.500 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.262 -6.826 -0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.767 -6.737 -1.397 1.00 0.00 H new ATOM 817 N GLU A 49 -7.006 -5.126 -3.754 1.00 0.00 N ATOM 818 CA GLU A 49 -7.763 -4.053 -4.367 1.00 0.00 C ATOM 819 C GLU A 49 -8.275 -3.129 -3.263 1.00 0.00 C ATOM 820 O GLU A 49 -8.851 -3.552 -2.255 1.00 0.00 O ATOM 821 CB GLU A 49 -8.916 -4.595 -5.231 1.00 0.00 C ATOM 822 CG GLU A 49 -8.537 -4.544 -6.719 1.00 0.00 C ATOM 823 CD GLU A 49 -9.671 -4.922 -7.675 1.00 0.00 C ATOM 824 OE1 GLU A 49 -10.848 -5.071 -7.258 1.00 0.00 O ATOM 825 OE2 GLU A 49 -9.394 -5.062 -8.885 1.00 0.00 O ATOM 0 H GLU A 49 -7.530 -5.645 -3.049 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.116 -3.491 -5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.145 -5.621 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.817 -4.006 -5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.196 -3.537 -6.960 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.695 -5.215 -6.890 1.00 0.00 H new ATOM 832 N VAL A 50 -8.096 -1.842 -3.505 1.00 0.00 N ATOM 833 CA VAL A 50 -8.621 -0.642 -2.919 1.00 0.00 C ATOM 834 C VAL A 50 -9.617 0.150 -3.746 1.00 0.00 C ATOM 835 O VAL A 50 -9.307 1.154 -4.369 1.00 0.00 O ATOM 836 CB VAL A 50 -7.615 0.046 -1.999 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.941 0.059 -0.544 1.00 0.00 C ATOM 838 CG2 VAL A 50 -6.131 0.052 -2.284 1.00 0.00 C ATOM 0 H VAL A 50 -7.459 -1.585 -4.259 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.383 -0.924 -2.193 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.849 1.027 -2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.151 0.575 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.888 0.576 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.023 -0.965 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.612 0.599 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.763 -0.973 -2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.947 0.535 -3.244 1.00 0.00 H new ATOM 848 N THR A 51 -10.861 -0.314 -3.720 1.00 0.00 N ATOM 849 CA THR A 51 -11.986 0.508 -4.139 1.00 0.00 C ATOM 850 C THR A 51 -12.223 1.604 -3.093 1.00 0.00 C ATOM 851 O THR A 51 -12.444 1.286 -1.918 1.00 0.00 O ATOM 852 CB THR A 51 -13.237 -0.343 -4.371 1.00 0.00 C ATOM 853 OG1 THR A 51 -13.008 -1.362 -5.331 1.00 0.00 O ATOM 854 CG2 THR A 51 -14.351 0.556 -4.912 1.00 0.00 C ATOM 0 H THR A 51 -11.114 -1.253 -3.414 1.00 0.00 H new ATOM 0 HA THR A 51 -11.755 0.981 -5.093 1.00 0.00 H new ATOM 0 HB THR A 51 -13.508 -0.803 -3.421 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.827 -1.887 -5.453 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.248 -0.039 -5.082 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.568 1.342 -4.189 1.00 0.00 H new ATOM 0 HG23 THR A 51 -14.031 1.006 -5.852 1.00 0.00 H new ATOM 862 N THR A 52 -12.185 2.870 -3.504 1.00 0.00 N ATOM 863 CA THR A 52 -12.511 4.019 -2.665 1.00 0.00 C ATOM 864 C THR A 52 -14.023 4.264 -2.597 1.00 0.00 C ATOM 865 O THR A 52 -14.815 3.468 -3.107 1.00 0.00 O ATOM 866 CB THR A 52 -11.764 5.246 -3.199 1.00 0.00 C ATOM 867 OG1 THR A 52 -12.127 5.500 -4.546 1.00 0.00 O ATOM 868 CG2 THR A 52 -10.257 5.034 -3.136 1.00 0.00 C ATOM 0 H THR A 52 -11.920 3.131 -4.454 1.00 0.00 H new ATOM 0 HA THR A 52 -12.191 3.818 -1.643 1.00 0.00 H new ATOM 0 HB THR A 52 -12.039 6.095 -2.574 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.643 6.287 -4.872 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.749 5.918 -3.520 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.956 4.863 -2.102 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.986 4.168 -3.740 1.00 0.00 H new ATOM 876 N GLU A 53 -14.436 5.364 -1.962 1.00 0.00 N ATOM 877 CA GLU A 53 -15.813 5.831 -1.997 1.00 0.00 C ATOM 878 C GLU A 53 -16.218 6.193 -3.442 1.00 0.00 C ATOM 879 O GLU A 53 -17.337 5.893 -3.858 1.00 0.00 O ATOM 880 CB GLU A 53 -15.971 7.023 -1.039 1.00 0.00 C ATOM 881 CG GLU A 53 -17.451 7.319 -0.752 1.00 0.00 C ATOM 882 CD GLU A 53 -17.665 8.698 -0.126 1.00 0.00 C ATOM 883 OE1 GLU A 53 -17.522 8.870 1.106 1.00 0.00 O ATOM 884 OE2 GLU A 53 -17.999 9.638 -0.888 1.00 0.00 O ATOM 0 H GLU A 53 -13.816 5.955 -1.408 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.483 5.038 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.453 6.811 -0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.499 7.905 -1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -18.017 7.254 -1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.847 6.555 -0.083 1.00 0.00 H new ATOM 891 N ASP A 54 -15.311 6.784 -4.237 1.00 0.00 N ATOM 892 CA ASP A 54 -15.557 7.141 -5.648 1.00 0.00 C ATOM 893 C ASP A 54 -15.812 5.898 -6.511 1.00 0.00 C ATOM 894 O ASP A 54 -16.526 5.949 -7.512 1.00 0.00 O ATOM 895 CB ASP A 54 -14.365 7.930 -6.220 1.00 0.00 C ATOM 896 CG ASP A 54 -14.698 8.563 -7.578 1.00 0.00 C ATOM 897 OD1 ASP A 54 -14.718 7.843 -8.605 1.00 0.00 O ATOM 898 OD2 ASP A 54 -15.026 9.772 -7.627 1.00 0.00 O ATOM 0 H ASP A 54 -14.375 7.031 -3.916 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.451 7.764 -5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.075 8.711 -5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.508 7.265 -6.329 1.00 0.00 H new ATOM 903 N GLY A 55 -15.265 4.749 -6.107 1.00 0.00 N ATOM 904 CA GLY A 55 -15.493 3.471 -6.767 1.00 0.00 C ATOM 905 C GLY A 55 -14.319 3.014 -7.625 1.00 0.00 C ATOM 906 O GLY A 55 -14.294 1.847 -8.033 1.00 0.00 O ATOM 0 H GLY A 55 -14.644 4.684 -5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.698 2.712 -6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.382 3.547 -7.392 1.00 0.00 H new ATOM 910 N LYS A 56 -13.333 3.883 -7.869 1.00 0.00 N ATOM 911 CA LYS A 56 -12.110 3.506 -8.567 1.00 0.00 C ATOM 912 C LYS A 56 -11.400 2.446 -7.764 1.00 0.00 C ATOM 913 O LYS A 56 -11.209 2.618 -6.563 1.00 0.00 O ATOM 914 CB LYS A 56 -11.182 4.705 -8.778 1.00 0.00 C ATOM 915 CG LYS A 56 -11.811 5.692 -9.757 1.00 0.00 C ATOM 916 CD LYS A 56 -10.778 6.555 -10.493 1.00 0.00 C ATOM 917 CE LYS A 56 -11.029 6.548 -12.005 1.00 0.00 C ATOM 918 NZ LYS A 56 -10.740 5.234 -12.617 1.00 0.00 N ATOM 0 H LYS A 56 -13.364 4.863 -7.588 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.379 3.124 -9.552 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.991 5.198 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.219 4.366 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.402 5.141 -10.489 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.499 6.342 -9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.822 7.578 -10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.775 6.182 -10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.067 6.816 -12.200 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.409 7.310 -12.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.693 5.335 -13.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.829 4.878 -12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.494 4.562 -12.369 1.00 0.00 H new ATOM 932 N LYS A 57 -11.036 1.345 -8.421 1.00 0.00 N ATOM 933 CA LYS A 57 -10.307 0.246 -7.825 1.00 0.00 C ATOM 934 C LYS A 57 -8.824 0.496 -7.994 1.00 0.00 C ATOM 935 O LYS A 57 -8.267 0.343 -9.079 1.00 0.00 O ATOM 936 CB LYS A 57 -10.746 -1.099 -8.404 1.00 0.00 C ATOM 937 CG LYS A 57 -10.767 -1.149 -9.941 1.00 0.00 C ATOM 938 CD LYS A 57 -12.186 -1.134 -10.509 1.00 0.00 C ATOM 939 CE LYS A 57 -12.827 -2.518 -10.353 1.00 0.00 C ATOM 940 NZ LYS A 57 -13.545 -2.920 -11.580 1.00 0.00 N ATOM 0 H LYS A 57 -11.250 1.197 -9.407 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.530 0.193 -6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.076 -1.876 -8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.743 -1.334 -8.031 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.212 -0.298 -10.336 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.254 -2.049 -10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.786 -0.386 -9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.162 -0.851 -11.561 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.056 -3.254 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.519 -2.507 -9.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.967 -3.860 -11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.296 -2.230 -11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.878 -2.953 -12.377 1.00 0.00 H new ATOM 954 N TYR A 58 -8.186 0.907 -6.915 1.00 0.00 N ATOM 955 CA TYR A 58 -6.748 0.958 -6.784 1.00 0.00 C ATOM 956 C TYR A 58 -6.264 -0.486 -6.765 1.00 0.00 C ATOM 957 O TYR A 58 -6.418 -1.188 -5.762 1.00 0.00 O ATOM 958 CB TYR A 58 -6.402 1.744 -5.519 1.00 0.00 C ATOM 959 CG TYR A 58 -6.884 3.187 -5.454 1.00 0.00 C ATOM 960 CD1 TYR A 58 -7.505 3.839 -6.544 1.00 0.00 C ATOM 961 CD2 TYR A 58 -6.743 3.866 -4.233 1.00 0.00 C ATOM 962 CE1 TYR A 58 -7.915 5.178 -6.432 1.00 0.00 C ATOM 963 CE2 TYR A 58 -7.181 5.194 -4.105 1.00 0.00 C ATOM 964 CZ TYR A 58 -7.739 5.868 -5.212 1.00 0.00 C ATOM 965 OH TYR A 58 -8.144 7.161 -5.072 1.00 0.00 O ATOM 0 H TYR A 58 -8.675 1.225 -6.078 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.252 1.473 -7.607 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.814 1.209 -4.663 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.318 1.742 -5.404 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.665 3.304 -7.469 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.295 3.364 -3.388 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.364 5.679 -7.277 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.090 5.701 -3.156 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.943 7.470 -4.164 1.00 0.00 H new ATOM 975 N VAL A 59 -5.776 -0.956 -7.906 1.00 0.00 N ATOM 976 CA VAL A 59 -4.998 -2.174 -7.985 1.00 0.00 C ATOM 977 C VAL A 59 -3.583 -1.754 -7.587 1.00 0.00 C ATOM 978 O VAL A 59 -3.121 -0.676 -7.970 1.00 0.00 O ATOM 979 CB VAL A 59 -5.050 -2.756 -9.412 1.00 0.00 C ATOM 980 CG1 VAL A 59 -4.464 -4.169 -9.435 1.00 0.00 C ATOM 981 CG2 VAL A 59 -6.493 -2.838 -9.945 1.00 0.00 C ATOM 0 H VAL A 59 -5.913 -0.496 -8.806 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.376 -2.962 -7.334 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.468 -2.085 -10.044 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.508 -4.565 -10.450 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.426 -4.138 -9.103 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.039 -4.812 -8.769 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.486 -3.253 -10.953 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.086 -3.479 -9.293 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.930 -1.840 -9.967 1.00 0.00 H new ATOM 991 N ILE A 60 -2.933 -2.581 -6.779 1.00 0.00 N ATOM 992 CA ILE A 60 -1.586 -2.363 -6.295 1.00 0.00 C ATOM 993 C ILE A 60 -0.899 -3.721 -6.317 1.00 0.00 C ATOM 994 O ILE A 60 -1.036 -4.534 -5.401 1.00 0.00 O ATOM 995 CB ILE A 60 -1.586 -1.656 -4.917 1.00 0.00 C ATOM 996 CG1 ILE A 60 -2.664 -2.192 -3.939 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.728 -0.136 -5.100 1.00 0.00 C ATOM 998 CD1 ILE A 60 -2.618 -1.599 -2.524 1.00 0.00 C ATOM 0 H ILE A 60 -3.346 -3.448 -6.434 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.025 -1.676 -6.929 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.625 -1.884 -4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.648 -1.996 -4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.558 -3.274 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.727 0.350 -4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.894 0.239 -5.693 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.665 0.083 -5.613 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.411 -2.038 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.652 -1.817 -2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.758 -0.519 -2.577 1.00 0.00 H new ATOM 1010 N GLU A 61 -0.264 -4.004 -7.445 1.00 0.00 N ATOM 1011 CA GLU A 61 0.591 -5.161 -7.672 1.00 0.00 C ATOM 1012 C GLU A 61 2.031 -4.874 -7.208 1.00 0.00 C ATOM 1013 O GLU A 61 2.376 -3.748 -6.843 1.00 0.00 O ATOM 1014 CB GLU A 61 0.507 -5.594 -9.147 1.00 0.00 C ATOM 1015 CG GLU A 61 0.710 -4.452 -10.157 1.00 0.00 C ATOM 1016 CD GLU A 61 -0.603 -3.989 -10.783 1.00 0.00 C ATOM 1017 OE1 GLU A 61 -1.338 -3.214 -10.132 1.00 0.00 O ATOM 1018 OE2 GLU A 61 -0.908 -4.408 -11.926 1.00 0.00 O ATOM 0 H GLU A 61 -0.334 -3.404 -8.267 1.00 0.00 H new ATOM 0 HA GLU A 61 0.239 -6.000 -7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.258 -6.363 -9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.467 -6.051 -9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.188 -3.609 -9.657 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.388 -4.783 -10.944 1.00 0.00 H new ATOM 1025 N LYS A 62 2.871 -5.913 -7.174 1.00 0.00 N ATOM 1026 CA LYS A 62 4.254 -5.852 -6.701 1.00 0.00 C ATOM 1027 C LYS A 62 5.084 -4.871 -7.541 1.00 0.00 C ATOM 1028 O LYS A 62 5.368 -5.089 -8.721 1.00 0.00 O ATOM 1029 CB LYS A 62 4.866 -7.258 -6.615 1.00 0.00 C ATOM 1030 CG LYS A 62 5.076 -7.897 -7.989 1.00 0.00 C ATOM 1031 CD LYS A 62 4.818 -9.410 -7.988 1.00 0.00 C ATOM 1032 CE LYS A 62 5.105 -10.082 -9.340 1.00 0.00 C ATOM 1033 NZ LYS A 62 4.201 -9.663 -10.440 1.00 0.00 N ATOM 0 H LYS A 62 2.598 -6.846 -7.484 1.00 0.00 H new ATOM 0 HA LYS A 62 4.262 -5.455 -5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.822 -7.202 -6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.215 -7.897 -6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.413 -7.421 -8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.097 -7.708 -8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.437 -9.876 -7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.779 -9.593 -7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.133 -9.864 -9.629 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.031 -11.163 -9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.463 -10.162 -11.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.219 -9.895 -10.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.287 -8.637 -10.588 1.00 0.00 H new ATOM 1047 N GLY A 63 5.461 -3.777 -6.912 1.00 0.00 N ATOM 1048 CA GLY A 63 6.226 -2.680 -7.491 1.00 0.00 C ATOM 1049 C GLY A 63 5.505 -1.337 -7.413 1.00 0.00 C ATOM 1050 O GLY A 63 6.175 -0.305 -7.382 1.00 0.00 O ATOM 0 H GLY A 63 5.232 -3.616 -5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.183 -2.602 -6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.443 -2.908 -8.534 1.00 0.00 H new ATOM 1054 N ASP A 64 4.173 -1.316 -7.300 1.00 0.00 N ATOM 1055 CA ASP A 64 3.385 -0.082 -7.238 1.00 0.00 C ATOM 1056 C ASP A 64 3.579 0.536 -5.854 1.00 0.00 C ATOM 1057 O ASP A 64 3.043 0.008 -4.880 1.00 0.00 O ATOM 1058 CB ASP A 64 1.893 -0.380 -7.472 1.00 0.00 C ATOM 1059 CG ASP A 64 1.469 -0.509 -8.944 1.00 0.00 C ATOM 1060 OD1 ASP A 64 2.164 -1.141 -9.776 1.00 0.00 O ATOM 1061 OD2 ASP A 64 0.481 0.162 -9.320 1.00 0.00 O ATOM 0 H ASP A 64 3.607 -2.163 -7.249 1.00 0.00 H new ATOM 0 HA ASP A 64 3.717 0.607 -8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.640 -1.306 -6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.305 0.413 -7.010 1.00 0.00 H new ATOM 1066 N LEU A 65 4.427 1.559 -5.712 1.00 0.00 N ATOM 1067 CA LEU A 65 4.634 2.268 -4.447 1.00 0.00 C ATOM 1068 C LEU A 65 3.381 3.100 -4.175 1.00 0.00 C ATOM 1069 O LEU A 65 2.782 3.624 -5.117 1.00 0.00 O ATOM 1070 CB LEU A 65 5.885 3.156 -4.550 1.00 0.00 C ATOM 1071 CG LEU A 65 6.192 4.013 -3.296 1.00 0.00 C ATOM 1072 CD1 LEU A 65 6.958 3.227 -2.224 1.00 0.00 C ATOM 1073 CD2 LEU A 65 7.027 5.232 -3.691 1.00 0.00 C ATOM 0 H LEU A 65 4.994 1.921 -6.479 1.00 0.00 H new ATOM 0 HA LEU A 65 4.795 1.571 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.746 2.520 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.769 3.821 -5.405 1.00 0.00 H new ATOM 0 HG LEU A 65 5.232 4.317 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.148 3.872 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.364 2.369 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.906 2.880 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.239 5.830 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.964 4.901 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.473 5.834 -4.411 1.00 0.00 H new ATOM 1085 N VAL A 66 3.014 3.241 -2.904 1.00 0.00 N ATOM 1086 CA VAL A 66 1.768 3.831 -2.440 1.00 0.00 C ATOM 1087 C VAL A 66 2.121 4.873 -1.380 1.00 0.00 C ATOM 1088 O VAL A 66 2.963 4.590 -0.535 1.00 0.00 O ATOM 1089 CB VAL A 66 0.878 2.682 -1.889 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.563 3.089 -1.576 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.782 1.492 -2.863 1.00 0.00 C ATOM 0 H VAL A 66 3.608 2.931 -2.135 1.00 0.00 H new ATOM 0 HA VAL A 66 1.210 4.333 -3.231 1.00 0.00 H new ATOM 0 HB VAL A 66 1.388 2.407 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.111 2.226 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.563 3.878 -0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.043 3.454 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.149 0.717 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.351 1.828 -3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.778 1.088 -3.043 1.00 0.00 H new ATOM 1101 N THR A 67 1.466 6.036 -1.383 1.00 0.00 N ATOM 1102 CA THR A 67 1.400 6.968 -0.271 1.00 0.00 C ATOM 1103 C THR A 67 -0.081 7.316 -0.079 1.00 0.00 C ATOM 1104 O THR A 67 -0.628 8.140 -0.824 1.00 0.00 O ATOM 1105 CB THR A 67 2.268 8.208 -0.543 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.641 7.880 -0.699 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.169 9.213 0.614 1.00 0.00 C ATOM 0 H THR A 67 0.947 6.362 -2.199 1.00 0.00 H new ATOM 0 HA THR A 67 1.799 6.530 0.644 1.00 0.00 H new ATOM 0 HB THR A 67 1.887 8.640 -1.468 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.035 7.695 0.179 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.792 10.081 0.397 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.133 9.531 0.732 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.512 8.742 1.535 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.737 6.684 0.900 1.00 0.00 N ATOM 1116 CA PHE A 68 -2.036 7.155 1.376 1.00 0.00 C ATOM 1117 C PHE A 68 -1.802 8.463 2.144 1.00 0.00 C ATOM 1118 O PHE A 68 -0.738 8.626 2.756 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.720 6.112 2.274 1.00 0.00 C ATOM 1120 CG PHE A 68 -2.968 4.770 1.607 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -3.996 4.611 0.657 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -2.170 3.666 1.946 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -4.212 3.363 0.047 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -2.348 2.429 1.300 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.383 2.272 0.360 1.00 0.00 C ATOM 0 H PHE A 68 -0.390 5.850 1.374 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.702 7.321 0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.105 5.955 3.160 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.673 6.515 2.616 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.621 5.452 0.396 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.413 3.767 2.709 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.016 3.242 -0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.691 1.602 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.540 1.317 -0.119 1.00 0.00 H new ATOM 1135 N PRO A 69 -2.745 9.417 2.105 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.623 10.651 2.854 1.00 0.00 C ATOM 1137 C PRO A 69 -3.069 10.456 4.302 1.00 0.00 C ATOM 1138 O PRO A 69 -3.642 9.440 4.692 1.00 0.00 O ATOM 1139 CB PRO A 69 -3.554 11.627 2.142 1.00 0.00 C ATOM 1140 CG PRO A 69 -4.721 10.707 1.810 1.00 0.00 C ATOM 1141 CD PRO A 69 -4.021 9.406 1.399 1.00 0.00 C ATOM 0 HA PRO A 69 -1.593 11.006 2.892 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -3.851 12.458 2.782 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.099 12.058 1.250 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.377 10.560 2.668 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.336 11.108 1.004 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.616 8.535 1.675 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.873 9.363 0.320 1.00 0.00 H new ATOM 1149 N LYS A 70 -2.892 11.532 5.055 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.386 11.691 6.409 1.00 0.00 C ATOM 1151 C LYS A 70 -4.879 11.985 6.315 1.00 0.00 C ATOM 1152 O LYS A 70 -5.256 13.152 6.177 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.550 12.789 7.091 1.00 0.00 C ATOM 1154 CG LYS A 70 -2.980 13.117 8.527 1.00 0.00 C ATOM 1155 CD LYS A 70 -1.907 13.950 9.223 1.00 0.00 C ATOM 1156 CE LYS A 70 -2.314 14.187 10.677 1.00 0.00 C ATOM 1157 NZ LYS A 70 -1.536 15.282 11.286 1.00 0.00 N ATOM 0 H LYS A 70 -2.379 12.349 4.723 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.279 10.800 7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.505 12.479 7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.608 13.697 6.491 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.924 13.663 8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.152 12.195 9.082 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.947 13.435 9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.780 14.903 8.709 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.377 14.425 10.724 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.166 13.272 11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.838 15.416 12.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.524 15.043 11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.697 16.160 10.753 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.701 10.937 6.343 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.148 11.027 6.277 1.00 0.00 C ATOM 1173 C GLY A 71 -7.656 10.473 4.952 1.00 0.00 C ATOM 1174 O GLY A 71 -7.711 11.211 3.964 1.00 0.00 O ATOM 0 H GLY A 71 -5.363 9.977 6.414 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.591 10.472 7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.459 12.066 6.387 1.00 0.00 H new ATOM 1178 N LEU A 72 -8.010 9.184 4.928 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.736 8.515 3.850 1.00 0.00 C ATOM 1180 C LEU A 72 -9.514 7.324 4.419 1.00 0.00 C ATOM 1181 O LEU A 72 -8.967 6.587 5.238 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.738 8.011 2.796 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.373 7.157 1.679 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -9.270 7.996 0.765 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -7.248 6.524 0.870 1.00 0.00 C ATOM 0 H LEU A 72 -7.787 8.552 5.697 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.430 9.219 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.241 8.869 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.968 7.422 3.294 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.003 6.391 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.699 7.359 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.072 8.443 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.679 8.785 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.672 5.914 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.626 7.307 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.639 5.897 1.522 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.725 7.077 3.910 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.537 5.880 4.122 1.00 0.00 C ATOM 1199 C ARG A 73 -11.708 5.168 2.777 1.00 0.00 C ATOM 1200 O ARG A 73 -12.033 5.806 1.776 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.882 6.299 4.758 1.00 0.00 C ATOM 1202 CG ARG A 73 -14.049 5.329 4.506 1.00 0.00 C ATOM 1203 CD ARG A 73 -15.163 5.494 5.546 1.00 0.00 C ATOM 1204 NE ARG A 73 -16.329 4.644 5.246 1.00 0.00 N ATOM 1205 CZ ARG A 73 -17.570 4.832 5.715 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -17.862 5.867 6.493 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -18.551 3.990 5.411 1.00 0.00 N ATOM 0 H ARG A 73 -11.191 7.750 3.302 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.059 5.180 4.807 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.741 6.403 5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.157 7.282 4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.455 5.500 3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.680 4.304 4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.777 5.244 6.534 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.475 6.538 5.581 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.179 3.845 4.629 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.135 6.537 6.744 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.813 5.992 6.840 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.365 3.186 4.812 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.490 4.148 5.777 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.512 3.849 2.752 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.830 2.962 1.636 1.00 0.00 C ATOM 1223 C CYS A 74 -11.880 1.517 2.164 1.00 0.00 C ATOM 1224 O CYS A 74 -11.498 1.261 3.309 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.750 3.058 0.552 1.00 0.00 C ATOM 1226 SG CYS A 74 -9.082 2.793 1.239 1.00 0.00 S ATOM 0 H CYS A 74 -11.109 3.349 3.545 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.788 3.252 1.205 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.946 2.318 -0.224 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.797 4.038 0.077 1.00 0.00 H new ATOM 0 HG CYS A 74 -8.935 1.539 1.549 1.00 0.00 H new ATOM 1232 N ARG A 75 -12.248 0.543 1.318 1.00 0.00 N ATOM 1233 CA ARG A 75 -12.069 -0.880 1.643 1.00 0.00 C ATOM 1234 C ARG A 75 -10.620 -1.312 1.635 1.00 0.00 C ATOM 1235 O ARG A 75 -9.775 -0.453 1.500 1.00 0.00 O ATOM 1236 CB ARG A 75 -12.937 -1.770 0.736 1.00 0.00 C ATOM 1237 CG ARG A 75 -13.936 -2.576 1.579 1.00 0.00 C ATOM 1238 CD ARG A 75 -15.377 -2.258 1.211 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.655 -0.810 1.259 1.00 0.00 N ATOM 1240 CZ ARG A 75 -16.810 -0.265 1.642 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -17.623 -0.918 2.468 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -17.130 0.927 1.161 1.00 0.00 N ATOM 0 H ARG A 75 -12.670 0.714 0.406 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.412 -1.010 2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.474 -1.153 0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.302 -2.448 0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.752 -3.641 1.439 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.776 -2.361 2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.586 -2.634 0.210 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.048 -2.779 1.894 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.906 -0.177 0.978 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.364 -1.842 2.813 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.505 -0.494 2.756 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.499 1.403 0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.007 1.369 1.436 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.325 -2.599 1.823 1.00 0.00 N ATOM 1257 CA TRP A 76 -9.058 -3.267 1.537 1.00 0.00 C ATOM 1258 C TRP A 76 -9.410 -4.744 1.313 1.00 0.00 C ATOM 1259 O TRP A 76 -9.755 -5.459 2.254 1.00 0.00 O ATOM 1260 CB TRP A 76 -8.054 -3.103 2.698 1.00 0.00 C ATOM 1261 CG TRP A 76 -6.844 -2.289 2.358 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -6.836 -0.954 2.170 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.466 -2.722 2.139 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -5.587 -0.544 1.757 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -4.713 -1.602 1.677 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -4.762 -3.932 2.304 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.364 -1.696 1.306 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -3.395 -4.025 1.978 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -2.704 -2.926 1.441 1.00 0.00 C ATOM 0 H TRP A 76 -11.014 -3.246 2.206 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.572 -2.833 0.663 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -8.565 -2.638 3.541 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -7.732 -4.091 3.026 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -7.684 -0.302 2.321 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.342 0.422 1.538 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.278 -4.800 2.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -2.841 -0.833 0.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -2.870 -4.954 2.143 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.673 -3.028 1.135 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.389 -5.211 0.062 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.625 -6.617 -0.259 1.00 0.00 C ATOM 1282 C LYS A 77 -8.286 -7.248 -0.576 1.00 0.00 C ATOM 1283 O LYS A 77 -7.647 -6.828 -1.537 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.617 -6.755 -1.418 1.00 0.00 C ATOM 1285 CG LYS A 77 -10.806 -8.239 -1.781 1.00 0.00 C ATOM 1286 CD LYS A 77 -12.024 -8.450 -2.676 1.00 0.00 C ATOM 1287 CE LYS A 77 -12.551 -9.882 -2.559 1.00 0.00 C ATOM 1288 NZ LYS A 77 -13.791 -10.061 -3.336 1.00 0.00 N ATOM 0 H LYS A 77 -9.208 -4.625 -0.753 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.077 -7.133 0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.575 -6.316 -1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.253 -6.204 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.914 -8.606 -2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.918 -8.825 -0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.809 -7.746 -2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.759 -8.240 -3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.793 -10.581 -2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.738 -10.119 -1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.124 -11.041 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.520 -9.410 -2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.605 -9.858 -4.339 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.853 -8.221 0.216 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.647 -8.986 -0.031 1.00 0.00 C ATOM 1304 C VAL A 78 -7.057 -10.086 -1.000 1.00 0.00 C ATOM 1305 O VAL A 78 -7.809 -11.002 -0.659 1.00 0.00 O ATOM 1306 CB VAL A 78 -6.065 -9.510 1.301 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.621 -9.967 1.104 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -6.111 -8.434 2.403 1.00 0.00 C ATOM 0 H VAL A 78 -8.344 -8.503 1.065 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.844 -8.394 -0.470 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.680 -10.353 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.223 -10.334 2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.590 -10.766 0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.018 -9.128 0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.693 -8.839 3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.528 -7.568 2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.144 -8.133 2.575 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.627 -9.927 -2.247 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.885 -10.885 -3.308 1.00 0.00 C ATOM 1320 C LEU A 79 -5.853 -12.006 -3.262 1.00 0.00 C ATOM 1321 O LEU A 79 -6.129 -13.077 -3.793 1.00 0.00 O ATOM 1322 CB LEU A 79 -6.856 -10.189 -4.676 1.00 0.00 C ATOM 1323 CG LEU A 79 -7.925 -9.089 -4.844 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -7.706 -8.293 -6.133 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.338 -9.685 -4.846 1.00 0.00 C ATOM 0 H LEU A 79 -6.083 -9.119 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.876 -11.313 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.870 -9.749 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.994 -10.938 -5.456 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.826 -8.415 -3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.475 -7.526 -6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.724 -7.821 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.763 -8.965 -6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.070 -8.886 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.434 -10.391 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.516 -10.202 -3.903 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.692 -11.781 -2.635 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.674 -12.769 -2.290 1.00 0.00 C ATOM 1339 C GLU A 80 -2.818 -12.199 -1.152 1.00 0.00 C ATOM 1340 O GLU A 80 -2.675 -10.976 -1.091 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.770 -13.024 -3.506 1.00 0.00 C ATOM 1342 CG GLU A 80 -3.178 -14.224 -4.364 1.00 0.00 C ATOM 1343 CD GLU A 80 -3.080 -15.544 -3.600 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -4.037 -15.905 -2.878 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -2.027 -16.205 -3.668 1.00 0.00 O ATOM 0 H GLU A 80 -4.426 -10.842 -2.338 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.149 -13.702 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.765 -12.132 -4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.748 -13.174 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.200 -14.085 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.541 -14.270 -5.247 1.00 0.00 H new ATOM 1352 N PRO A 81 -2.217 -13.037 -0.284 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.589 -12.602 0.958 1.00 0.00 C ATOM 1354 C PRO A 81 -0.405 -11.675 0.674 1.00 0.00 C ATOM 1355 O PRO A 81 0.661 -12.125 0.246 1.00 0.00 O ATOM 1356 CB PRO A 81 -1.191 -13.881 1.701 1.00 0.00 C ATOM 1357 CG PRO A 81 -1.045 -14.924 0.599 1.00 0.00 C ATOM 1358 CD PRO A 81 -2.058 -14.477 -0.453 1.00 0.00 C ATOM 0 HA PRO A 81 -2.264 -12.011 1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.259 -13.749 2.250 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.950 -14.172 2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.032 -14.944 0.197 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.263 -15.927 0.965 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.706 -14.714 -1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.010 -14.991 -0.319 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.620 -10.373 0.858 1.00 0.00 N ATOM 1367 CA VAL A 82 0.337 -9.339 0.500 1.00 0.00 C ATOM 1368 C VAL A 82 1.369 -9.160 1.602 1.00 0.00 C ATOM 1369 O VAL A 82 1.042 -9.183 2.792 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.413 -8.041 0.117 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -1.311 -7.513 1.242 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.507 -6.908 -0.353 1.00 0.00 C ATOM 0 H VAL A 82 -1.479 -10.006 1.267 1.00 0.00 H new ATOM 0 HA VAL A 82 0.903 -9.638 -0.382 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.035 -8.346 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.809 -6.601 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.059 -8.265 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.704 -7.297 2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.092 -6.033 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.206 -6.653 0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.062 -7.232 -1.234 1.00 0.00 H new ATOM 1382 N ARG A 83 2.602 -8.868 1.198 1.00 0.00 N ATOM 1383 CA ARG A 83 3.635 -8.319 2.058 1.00 0.00 C ATOM 1384 C ARG A 83 3.986 -6.947 1.517 1.00 0.00 C ATOM 1385 O ARG A 83 4.191 -6.787 0.308 1.00 0.00 O ATOM 1386 CB ARG A 83 4.850 -9.254 2.095 1.00 0.00 C ATOM 1387 CG ARG A 83 4.697 -10.280 3.222 1.00 0.00 C ATOM 1388 CD ARG A 83 5.806 -11.331 3.197 1.00 0.00 C ATOM 1389 NE ARG A 83 5.229 -12.667 3.031 1.00 0.00 N ATOM 1390 CZ ARG A 83 5.858 -13.809 2.757 1.00 0.00 C ATOM 1391 NH1 ARG A 83 7.158 -13.853 2.491 1.00 0.00 N ATOM 1392 NH2 ARG A 83 5.159 -14.932 2.756 1.00 0.00 N ATOM 0 H ARG A 83 2.914 -9.012 0.238 1.00 0.00 H new ATOM 0 HA ARG A 83 3.288 -8.227 3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.952 -9.767 1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.760 -8.673 2.244 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.707 -9.766 4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.729 -10.773 3.134 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.498 -11.121 2.382 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.381 -11.287 4.122 1.00 0.00 H new ATOM 0 HE ARG A 83 4.217 -12.731 3.139 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.708 -12.994 2.492 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.607 -14.746 2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.160 -14.911 2.962 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.619 -15.819 2.549 1.00 0.00 H new ATOM 1406 N LYS A 84 4.037 -5.951 2.399 1.00 0.00 N ATOM 1407 CA LYS A 84 4.491 -4.616 2.059 1.00 0.00 C ATOM 1408 C LYS A 84 5.441 -4.155 3.153 1.00 0.00 C ATOM 1409 O LYS A 84 5.280 -4.516 4.320 1.00 0.00 O ATOM 1410 CB LYS A 84 3.306 -3.649 1.842 1.00 0.00 C ATOM 1411 CG LYS A 84 2.890 -2.764 3.034 1.00 0.00 C ATOM 1412 CD LYS A 84 2.321 -3.454 4.274 1.00 0.00 C ATOM 1413 CE LYS A 84 0.906 -2.957 4.568 1.00 0.00 C ATOM 1414 NZ LYS A 84 -0.075 -3.458 3.587 1.00 0.00 N ATOM 0 H LYS A 84 3.761 -6.055 3.375 1.00 0.00 H new ATOM 0 HA LYS A 84 5.023 -4.626 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.553 -2.995 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.440 -4.238 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.762 -2.188 3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.147 -2.051 2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.308 -4.533 4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.965 -3.260 5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.612 -3.274 5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.897 -1.867 4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.698 -2.680 3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.426 -3.836 2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.645 -4.212 4.020 1.00 0.00 H new ATOM 1428 N HIS A 85 6.408 -3.315 2.821 1.00 0.00 N ATOM 1429 CA HIS A 85 7.169 -2.579 3.821 1.00 0.00 C ATOM 1430 C HIS A 85 6.501 -1.205 3.927 1.00 0.00 C ATOM 1431 O HIS A 85 6.511 -0.483 2.924 1.00 0.00 O ATOM 1432 CB HIS A 85 8.634 -2.500 3.370 1.00 0.00 C ATOM 1433 CG HIS A 85 9.498 -3.560 4.018 1.00 0.00 C ATOM 1434 ND1 HIS A 85 10.145 -4.620 3.418 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.808 -3.606 5.349 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.833 -5.286 4.364 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.654 -4.699 5.551 1.00 0.00 N ATOM 0 H HIS A 85 6.687 -3.124 1.859 1.00 0.00 H new ATOM 0 HA HIS A 85 7.174 -3.056 4.801 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.684 -2.608 2.286 1.00 0.00 H new ATOM 0 HB3 HIS A 85 9.032 -1.514 3.611 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.461 -2.920 6.108 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.439 -6.163 4.190 1.00 0.00 H new ATOM 0 HE2 HIS A 85 11.060 -4.994 6.439 1.00 0.00 H new ATOM 1445 N TYR A 86 5.886 -0.854 5.064 1.00 0.00 N ATOM 1446 CA TYR A 86 5.157 0.414 5.256 1.00 0.00 C ATOM 1447 C TYR A 86 5.943 1.370 6.154 1.00 0.00 C ATOM 1448 O TYR A 86 6.894 0.941 6.797 1.00 0.00 O ATOM 1449 CB TYR A 86 3.739 0.176 5.815 1.00 0.00 C ATOM 1450 CG TYR A 86 3.623 -0.230 7.280 1.00 0.00 C ATOM 1451 CD1 TYR A 86 4.058 -1.499 7.717 1.00 0.00 C ATOM 1452 CD2 TYR A 86 3.004 0.643 8.201 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.883 -1.884 9.059 1.00 0.00 C ATOM 1454 CE2 TYR A 86 2.824 0.261 9.543 1.00 0.00 C ATOM 1455 CZ TYR A 86 3.266 -1.007 9.980 1.00 0.00 C ATOM 1456 OH TYR A 86 3.081 -1.406 11.268 1.00 0.00 O ATOM 0 H TYR A 86 5.879 -1.450 5.892 1.00 0.00 H new ATOM 0 HA TYR A 86 5.051 0.879 4.276 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.162 1.090 5.672 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.264 -0.598 5.212 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.527 -2.177 7.019 1.00 0.00 H new ATOM 0 HD2 TYR A 86 2.665 1.614 7.872 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.222 -2.855 9.387 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.348 0.937 10.238 1.00 0.00 H new ATOM 0 HH TYR A 86 2.645 -0.688 11.773 1.00 0.00 H new ATOM 1466 N ASN A 87 5.566 2.651 6.213 1.00 0.00 N ATOM 1467 CA ASN A 87 6.032 3.572 7.244 1.00 0.00 C ATOM 1468 C ASN A 87 4.988 4.657 7.502 1.00 0.00 C ATOM 1469 O ASN A 87 4.488 5.258 6.549 1.00 0.00 O ATOM 1470 CB ASN A 87 7.364 4.230 6.858 1.00 0.00 C ATOM 1471 CG ASN A 87 8.027 4.795 8.109 1.00 0.00 C ATOM 1472 OD1 ASN A 87 8.222 4.084 9.092 1.00 0.00 O ATOM 1473 ND2 ASN A 87 8.374 6.066 8.119 1.00 0.00 N ATOM 0 H ASN A 87 4.926 3.076 5.542 1.00 0.00 H new ATOM 0 HA ASN A 87 6.187 2.988 8.151 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.019 3.500 6.383 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.193 5.025 6.132 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.809 6.469 8.949 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.207 6.647 7.297 1.00 0.00 H new ATOM 1480 N LEU A 88 4.658 4.887 8.774 1.00 0.00 N ATOM 1481 CA LEU A 88 3.743 5.919 9.271 1.00 0.00 C ATOM 1482 C LEU A 88 4.519 7.229 9.467 1.00 0.00 C ATOM 1483 O LEU A 88 5.630 7.164 10.008 1.00 0.00 O ATOM 1484 CB LEU A 88 3.183 5.484 10.643 1.00 0.00 C ATOM 1485 CG LEU A 88 2.558 4.074 10.716 1.00 0.00 C ATOM 1486 CD1 LEU A 88 2.330 3.700 12.182 1.00 0.00 C ATOM 1487 CD2 LEU A 88 1.230 3.986 9.966 1.00 0.00 C ATOM 0 H LEU A 88 5.045 4.324 9.531 1.00 0.00 H new ATOM 0 HA LEU A 88 2.933 6.059 8.556 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.990 5.538 11.374 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.428 6.208 10.949 1.00 0.00 H new ATOM 0 HG LEU A 88 3.253 3.382 10.240 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.889 2.705 12.239 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.283 3.705 12.711 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.656 4.423 12.641 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.832 2.974 10.048 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.520 4.691 10.399 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.389 4.229 8.915 1.00 0.00 H new ATOM 1499 N PHE A 89 3.969 8.383 9.058 1.00 0.00 N ATOM 1500 CA PHE A 89 4.581 9.706 9.188 1.00 0.00 C ATOM 1501 C PHE A 89 3.565 10.820 8.886 1.00 0.00 C ATOM 1502 O PHE A 89 2.341 10.640 9.053 1.00 0.00 O ATOM 1503 CB PHE A 89 5.833 9.816 8.287 1.00 0.00 C ATOM 1504 CG PHE A 89 5.596 9.859 6.782 1.00 0.00 C ATOM 1505 CD1 PHE A 89 4.989 8.782 6.103 1.00 0.00 C ATOM 1506 CD2 PHE A 89 6.005 10.988 6.047 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.757 8.860 4.720 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.813 11.041 4.655 1.00 0.00 C ATOM 1509 CZ PHE A 89 5.177 9.982 3.989 1.00 0.00 C ATOM 0 H PHE A 89 3.052 8.417 8.612 1.00 0.00 H new ATOM 0 HA PHE A 89 4.902 9.835 10.222 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.378 10.717 8.571 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.483 8.969 8.504 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.702 7.895 6.648 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.470 11.819 6.556 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.251 8.050 4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.156 11.899 4.097 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.012 10.030 2.923 1.00 0.00 H new TER 1519 PHE A 89