USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 938 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 47 THR OG1 : rot -163:sc= -4.2! USER MOD Set 1.2: A 73 HIS : no HE2:sc= -15.1! C(o=-19!,f=-25!) USER MOD Single : A 13 SER OG : rot -17:sc= 0.326 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 130:sc= -1.19 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -104:sc= -6.97! USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.294 F(o=-1.8,f=-0.29) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -2:sc= 0.963 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -149:sc= -0.35 (180deg=-1.94!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -5.01! C(o=-5!,f=-5.4!) USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= 0.155 (180deg=-0.0621) USER MOD Single : A 71 GLN : amide:sc= -0.442 X(o=-0.44,f=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -118:sc= -5.93! (180deg=-10.9!) USER MOD Single : A 82 THR OG1 : rot 174:sc= -0.664 USER MOD Single : A 84 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.12) USER MOD Single : A 85 SER OG : rot 163:sc= 0.47 USER MOD Single : A 92 SER OG : rot 180:sc= -0.182 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0.109 X(o=0.11,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.067) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 140:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -1.93! C(o=-1.9!,f=-3.7!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 -9.771 -12.402 -11.444 1.00 0.00 N ATOM 38 CA ARG A 3 -8.505 -13.152 -11.678 1.00 0.00 C ATOM 39 C ARG A 3 -7.315 -12.191 -11.734 1.00 0.00 C ATOM 40 O ARG A 3 -6.616 -12.107 -12.724 1.00 0.00 O ATOM 41 CB ARG A 3 -8.610 -13.925 -12.995 1.00 0.00 C ATOM 42 CG ARG A 3 -7.359 -14.782 -13.195 1.00 0.00 C ATOM 43 CD ARG A 3 -7.306 -15.877 -12.126 1.00 0.00 C ATOM 44 NE ARG A 3 -5.983 -16.557 -12.181 1.00 0.00 N ATOM 45 CZ ARG A 3 -5.584 -17.119 -13.289 1.00 0.00 C ATOM 46 NH1 ARG A 3 -6.280 -18.090 -13.814 1.00 0.00 N ATOM 47 NH2 ARG A 3 -4.492 -16.709 -13.872 1.00 0.00 N ATOM 0 HA ARG A 3 -8.348 -13.849 -10.855 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -9.498 -14.558 -12.986 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -8.722 -13.230 -13.827 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.369 -15.231 -14.188 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.467 -14.159 -13.136 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.464 -15.444 -11.138 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.106 -16.599 -12.289 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.388 -16.584 -11.353 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.135 -18.409 -13.358 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.969 -18.530 -14.680 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.949 -15.949 -13.462 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.180 -17.149 -14.738 1.00 0.00 H new ATOM 61 N GLY A 4 -7.076 -11.479 -10.671 1.00 0.00 N ATOM 62 CA GLY A 4 -5.923 -10.531 -10.640 1.00 0.00 C ATOM 63 C GLY A 4 -6.086 -9.581 -9.453 1.00 0.00 C ATOM 64 O GLY A 4 -6.746 -8.565 -9.543 1.00 0.00 O ATOM 0 H GLY A 4 -7.631 -11.511 -9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.986 -11.082 -10.555 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.877 -9.965 -11.570 1.00 0.00 H new ATOM 68 N ILE A 5 -5.494 -9.910 -8.339 1.00 0.00 N ATOM 69 CA ILE A 5 -5.617 -9.034 -7.140 1.00 0.00 C ATOM 70 C ILE A 5 -4.588 -7.906 -7.219 1.00 0.00 C ATOM 71 O ILE A 5 -3.452 -8.053 -6.799 1.00 0.00 O ATOM 72 CB ILE A 5 -5.369 -9.859 -5.880 1.00 0.00 C ATOM 73 CG1 ILE A 5 -6.026 -11.234 -6.031 1.00 0.00 C ATOM 74 CG2 ILE A 5 -5.968 -9.139 -4.670 1.00 0.00 C ATOM 75 CD1 ILE A 5 -5.806 -12.046 -4.755 1.00 0.00 C ATOM 0 H ILE A 5 -4.929 -10.749 -8.207 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.620 -8.607 -7.106 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.296 -9.983 -5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.093 -11.120 -6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.602 -11.759 -6.887 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.790 -9.729 -3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.500 -8.161 -4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.041 -9.014 -4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.273 -13.025 -4.862 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.737 -12.171 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.251 -11.522 -3.909 1.00 0.00 H new ATOM 87 N VAL A 6 -4.981 -6.783 -7.758 1.00 0.00 N ATOM 88 CA VAL A 6 -4.051 -5.631 -7.879 1.00 0.00 C ATOM 89 C VAL A 6 -4.263 -4.673 -6.687 1.00 0.00 C ATOM 90 O VAL A 6 -5.355 -4.183 -6.464 1.00 0.00 O ATOM 91 CB VAL A 6 -4.371 -4.894 -9.182 1.00 0.00 C ATOM 92 CG1 VAL A 6 -5.715 -4.176 -9.058 1.00 0.00 C ATOM 93 CG2 VAL A 6 -3.276 -3.870 -9.481 1.00 0.00 C ATOM 0 H VAL A 6 -5.919 -6.616 -8.123 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.018 -5.978 -7.881 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.422 -5.619 -9.994 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.936 -3.654 -9.989 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.500 -4.905 -8.856 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.669 -3.456 -8.241 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.509 -3.349 -10.409 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.219 -3.150 -8.665 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.318 -4.381 -9.582 1.00 0.00 H new ATOM 103 N TRP A 7 -3.238 -4.400 -5.918 1.00 0.00 N ATOM 104 CA TRP A 7 -3.393 -3.472 -4.759 1.00 0.00 C ATOM 105 C TRP A 7 -2.850 -2.092 -5.147 1.00 0.00 C ATOM 106 O TRP A 7 -1.656 -1.880 -5.194 1.00 0.00 O ATOM 107 CB TRP A 7 -2.608 -4.007 -3.561 1.00 0.00 C ATOM 108 CG TRP A 7 -3.536 -4.162 -2.402 1.00 0.00 C ATOM 109 CD1 TRP A 7 -4.260 -3.164 -1.845 1.00 0.00 C ATOM 110 CD2 TRP A 7 -3.856 -5.367 -1.655 1.00 0.00 C ATOM 111 NE1 TRP A 7 -5.005 -3.682 -0.802 1.00 0.00 N ATOM 112 CE2 TRP A 7 -4.791 -5.039 -0.646 1.00 0.00 C ATOM 113 CE3 TRP A 7 -3.429 -6.702 -1.757 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -5.286 -6.002 0.232 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -3.925 -7.676 -0.875 1.00 0.00 C ATOM 116 CH2 TRP A 7 -4.853 -7.326 0.118 1.00 0.00 C ATOM 0 H TRP A 7 -2.300 -4.781 -6.044 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.447 -3.395 -4.492 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.151 -4.965 -3.808 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -1.798 -3.324 -3.306 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -4.257 -2.132 -2.163 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -5.635 -3.131 -0.219 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.715 -6.981 -2.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.999 -5.727 0.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.591 -8.699 -0.961 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.232 -8.079 0.793 1.00 0.00 H new ATOM 127 N VAL A 8 -3.714 -1.158 -5.439 1.00 0.00 N ATOM 128 CA VAL A 8 -3.244 0.196 -5.845 1.00 0.00 C ATOM 129 C VAL A 8 -3.345 1.175 -4.674 1.00 0.00 C ATOM 130 O VAL A 8 -4.397 1.362 -4.096 1.00 0.00 O ATOM 131 CB VAL A 8 -4.131 0.689 -6.984 1.00 0.00 C ATOM 132 CG1 VAL A 8 -3.521 1.942 -7.613 1.00 0.00 C ATOM 133 CG2 VAL A 8 -4.250 -0.409 -8.041 1.00 0.00 C ATOM 0 H VAL A 8 -4.727 -1.275 -5.414 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.202 0.137 -6.160 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.119 0.932 -6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.159 2.289 -8.426 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.437 2.724 -6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.531 1.708 -8.004 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.883 -0.061 -8.857 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.260 -0.651 -8.427 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.692 -1.299 -7.593 1.00 0.00 H new ATOM 143 N VAL A 9 -2.271 1.825 -4.323 1.00 0.00 N ATOM 144 CA VAL A 9 -2.364 2.796 -3.199 1.00 0.00 C ATOM 145 C VAL A 9 -3.404 3.860 -3.565 1.00 0.00 C ATOM 146 O VAL A 9 -3.222 4.640 -4.484 1.00 0.00 O ATOM 147 CB VAL A 9 -1.005 3.453 -2.937 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.411 3.965 -4.244 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.188 4.624 -1.973 1.00 0.00 C ATOM 0 H VAL A 9 -1.352 1.730 -4.755 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.663 2.276 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.330 2.716 -2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.555 4.430 -4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.279 3.132 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.084 4.699 -4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.223 5.094 -1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.868 5.354 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.604 4.260 -1.034 1.00 0.00 H new ATOM 159 N ASP A 10 -4.502 3.874 -2.856 1.00 0.00 N ATOM 160 CA ASP A 10 -5.586 4.856 -3.136 1.00 0.00 C ATOM 161 C ASP A 10 -5.113 6.268 -2.783 1.00 0.00 C ATOM 162 O ASP A 10 -4.121 6.450 -2.104 1.00 0.00 O ATOM 163 CB ASP A 10 -6.806 4.489 -2.284 1.00 0.00 C ATOM 164 CG ASP A 10 -8.044 5.204 -2.814 1.00 0.00 C ATOM 165 OD1 ASP A 10 -8.211 5.242 -4.019 1.00 0.00 O ATOM 166 OD2 ASP A 10 -8.808 5.697 -2.001 1.00 0.00 O ATOM 0 H ASP A 10 -4.694 3.236 -2.084 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.848 4.830 -4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.962 3.410 -2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.632 4.768 -1.245 1.00 0.00 H new ATOM 171 N ASP A 11 -5.816 7.268 -3.242 1.00 0.00 N ATOM 172 CA ASP A 11 -5.415 8.670 -2.944 1.00 0.00 C ATOM 173 C ASP A 11 -6.203 9.185 -1.738 1.00 0.00 C ATOM 174 O ASP A 11 -5.778 9.066 -0.606 1.00 0.00 O ATOM 175 CB ASP A 11 -5.724 9.537 -4.162 1.00 0.00 C ATOM 176 CG ASP A 11 -4.649 9.322 -5.227 1.00 0.00 C ATOM 177 OD1 ASP A 11 -4.676 8.281 -5.864 1.00 0.00 O ATOM 178 OD2 ASP A 11 -3.818 10.200 -5.388 1.00 0.00 O ATOM 0 H ASP A 11 -6.655 7.172 -3.814 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.350 8.710 -2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.705 9.282 -4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.761 10.588 -3.874 1.00 0.00 H new ATOM 183 N ASP A 12 -7.351 9.758 -1.975 1.00 0.00 N ATOM 184 CA ASP A 12 -8.173 10.285 -0.849 1.00 0.00 C ATOM 185 C ASP A 12 -9.373 9.366 -0.623 1.00 0.00 C ATOM 186 O ASP A 12 -9.602 8.430 -1.363 1.00 0.00 O ATOM 187 CB ASP A 12 -8.665 11.690 -1.195 1.00 0.00 C ATOM 188 CG ASP A 12 -7.643 12.720 -0.715 1.00 0.00 C ATOM 189 OD1 ASP A 12 -6.462 12.493 -0.917 1.00 0.00 O ATOM 190 OD2 ASP A 12 -8.059 13.719 -0.150 1.00 0.00 O ATOM 0 H ASP A 12 -7.756 9.884 -2.902 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.569 10.324 0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.811 11.781 -2.271 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.631 11.874 -0.726 1.00 0.00 H new ATOM 195 N SER A 13 -10.139 9.627 0.397 1.00 0.00 N ATOM 196 CA SER A 13 -11.326 8.770 0.674 1.00 0.00 C ATOM 197 C SER A 13 -12.251 8.767 -0.545 1.00 0.00 C ATOM 198 O SER A 13 -12.344 9.738 -1.269 1.00 0.00 O ATOM 199 CB SER A 13 -12.084 9.323 1.882 1.00 0.00 C ATOM 200 OG SER A 13 -11.173 9.540 2.952 1.00 0.00 O ATOM 0 H SER A 13 -9.996 10.396 1.052 1.00 0.00 H new ATOM 0 HA SER A 13 -10.996 7.753 0.884 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.581 10.257 1.617 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.862 8.624 2.188 1.00 0.00 H new ATOM 0 HG SER A 13 -10.343 9.048 2.780 1.00 0.00 H new ATOM 206 N SER A 14 -12.937 7.677 -0.772 1.00 0.00 N ATOM 207 CA SER A 14 -13.866 7.589 -1.937 1.00 0.00 C ATOM 208 C SER A 14 -13.081 7.251 -3.207 1.00 0.00 C ATOM 209 O SER A 14 -13.652 6.910 -4.224 1.00 0.00 O ATOM 210 CB SER A 14 -14.598 8.919 -2.123 1.00 0.00 C ATOM 211 OG SER A 14 -15.858 8.675 -2.736 1.00 0.00 O ATOM 0 H SER A 14 -12.893 6.837 -0.195 1.00 0.00 H new ATOM 0 HA SER A 14 -14.596 6.802 -1.747 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.737 9.410 -1.160 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.003 9.592 -2.741 1.00 0.00 H new ATOM 0 HG SER A 14 -16.333 9.524 -2.857 1.00 0.00 H new ATOM 217 N ILE A 15 -11.779 7.329 -3.161 1.00 0.00 N ATOM 218 CA ILE A 15 -10.981 6.995 -4.373 1.00 0.00 C ATOM 219 C ILE A 15 -10.880 5.474 -4.491 1.00 0.00 C ATOM 220 O ILE A 15 -10.909 4.917 -5.573 1.00 0.00 O ATOM 221 CB ILE A 15 -9.577 7.608 -4.263 1.00 0.00 C ATOM 222 CG1 ILE A 15 -9.690 9.135 -4.171 1.00 0.00 C ATOM 223 CG2 ILE A 15 -8.765 7.241 -5.506 1.00 0.00 C ATOM 224 CD1 ILE A 15 -10.730 9.644 -5.175 1.00 0.00 C ATOM 0 H ILE A 15 -11.237 7.607 -2.343 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.468 7.402 -5.259 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.083 7.222 -3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.975 9.427 -3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.722 9.593 -4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.768 7.675 -5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.684 6.157 -5.581 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.263 7.630 -6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.804 10.729 -5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -10.427 9.367 -6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.699 9.198 -4.952 1.00 0.00 H new ATOM 236 N ARG A 16 -10.784 4.797 -3.380 1.00 0.00 N ATOM 237 CA ARG A 16 -10.702 3.314 -3.417 1.00 0.00 C ATOM 238 C ARG A 16 -11.967 2.778 -4.090 1.00 0.00 C ATOM 239 O ARG A 16 -11.913 1.923 -4.954 1.00 0.00 O ATOM 240 CB ARG A 16 -10.594 2.782 -1.979 1.00 0.00 C ATOM 241 CG ARG A 16 -11.066 1.325 -1.906 1.00 0.00 C ATOM 242 CD ARG A 16 -11.124 0.885 -0.441 1.00 0.00 C ATOM 243 NE ARG A 16 -12.503 1.087 0.084 1.00 0.00 N ATOM 244 CZ ARG A 16 -12.829 2.221 0.642 1.00 0.00 C ATOM 245 NH1 ARG A 16 -12.467 2.472 1.871 1.00 0.00 N ATOM 246 NH2 ARG A 16 -13.514 3.106 -0.031 1.00 0.00 N ATOM 0 H ARG A 16 -10.759 5.210 -2.448 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.826 2.989 -3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.562 2.853 -1.636 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.195 3.399 -1.311 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.049 1.226 -2.367 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.386 0.682 -2.464 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.840 -0.164 -0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.411 1.459 0.151 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.193 0.339 0.008 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.929 1.782 2.395 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.722 3.358 2.307 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.794 2.911 -0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.769 3.992 0.405 1.00 0.00 H new ATOM 260 N TRP A 17 -13.108 3.283 -3.706 1.00 0.00 N ATOM 261 CA TRP A 17 -14.372 2.813 -4.329 1.00 0.00 C ATOM 262 C TRP A 17 -14.301 3.054 -5.836 1.00 0.00 C ATOM 263 O TRP A 17 -14.403 2.135 -6.615 1.00 0.00 O ATOM 264 CB TRP A 17 -15.559 3.580 -3.740 1.00 0.00 C ATOM 265 CG TRP A 17 -16.830 2.886 -4.112 1.00 0.00 C ATOM 266 CD1 TRP A 17 -17.383 1.857 -3.427 1.00 0.00 C ATOM 267 CD2 TRP A 17 -17.715 3.149 -5.239 1.00 0.00 C ATOM 268 NE1 TRP A 17 -18.548 1.472 -4.064 1.00 0.00 N ATOM 269 CE2 TRP A 17 -18.797 2.240 -5.185 1.00 0.00 C ATOM 270 CE3 TRP A 17 -17.684 4.082 -6.291 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -19.811 2.253 -6.144 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -18.704 4.098 -7.257 1.00 0.00 C ATOM 273 CH2 TRP A 17 -19.765 3.186 -7.183 1.00 0.00 C ATOM 0 H TRP A 17 -13.217 4.000 -2.988 1.00 0.00 H new ATOM 0 HA TRP A 17 -14.505 1.750 -4.130 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -15.467 3.638 -2.655 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -15.567 4.604 -4.114 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -16.980 1.410 -2.530 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -19.150 0.713 -3.745 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -16.871 4.790 -6.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -20.626 1.547 -6.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -18.670 4.818 -8.062 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -20.546 3.204 -7.928 1.00 0.00 H new ATOM 284 N VAL A 18 -14.137 4.287 -6.247 1.00 0.00 N ATOM 285 CA VAL A 18 -14.066 4.607 -7.708 1.00 0.00 C ATOM 286 C VAL A 18 -13.364 3.479 -8.471 1.00 0.00 C ATOM 287 O VAL A 18 -13.928 2.860 -9.356 1.00 0.00 O ATOM 288 CB VAL A 18 -13.270 5.903 -7.882 1.00 0.00 C ATOM 289 CG1 VAL A 18 -12.869 6.078 -9.351 1.00 0.00 C ATOM 290 CG2 VAL A 18 -14.135 7.088 -7.450 1.00 0.00 C ATOM 0 H VAL A 18 -14.048 5.093 -5.628 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.076 4.719 -8.103 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.370 5.857 -7.268 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.303 7.002 -9.466 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.253 5.234 -9.663 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.765 6.122 -9.970 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.572 8.013 -7.572 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.034 7.126 -8.066 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.417 6.970 -6.404 1.00 0.00 H new ATOM 300 N LEU A 19 -12.133 3.207 -8.142 1.00 0.00 N ATOM 301 CA LEU A 19 -11.403 2.123 -8.853 1.00 0.00 C ATOM 302 C LEU A 19 -12.234 0.842 -8.802 1.00 0.00 C ATOM 303 O LEU A 19 -12.774 0.402 -9.796 1.00 0.00 O ATOM 304 CB LEU A 19 -10.053 1.886 -8.176 1.00 0.00 C ATOM 305 CG LEU A 19 -8.935 2.420 -9.071 1.00 0.00 C ATOM 306 CD1 LEU A 19 -7.597 2.306 -8.338 1.00 0.00 C ATOM 307 CD2 LEU A 19 -8.880 1.601 -10.363 1.00 0.00 C ATOM 0 H LEU A 19 -11.603 3.686 -7.414 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.238 2.411 -9.891 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.027 2.384 -7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.909 0.822 -7.991 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.130 3.465 -9.311 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.799 2.687 -8.976 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.635 2.889 -7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.402 1.261 -8.097 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.083 1.982 -11.001 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.685 0.556 -10.123 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.833 1.682 -10.886 1.00 0.00 H new ATOM 319 N GLU A 20 -12.320 0.240 -7.649 1.00 0.00 N ATOM 320 CA GLU A 20 -13.096 -1.026 -7.499 1.00 0.00 C ATOM 321 C GLU A 20 -14.334 -1.018 -8.407 1.00 0.00 C ATOM 322 O GLU A 20 -14.750 -2.042 -8.917 1.00 0.00 O ATOM 323 CB GLU A 20 -13.544 -1.154 -6.042 1.00 0.00 C ATOM 324 CG GLU A 20 -13.426 -2.612 -5.599 1.00 0.00 C ATOM 325 CD GLU A 20 -14.750 -3.064 -4.982 1.00 0.00 C ATOM 326 OE1 GLU A 20 -15.755 -2.995 -5.670 1.00 0.00 O ATOM 327 OE2 GLU A 20 -14.735 -3.470 -3.832 1.00 0.00 O ATOM 0 H GLU A 20 -11.880 0.575 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.463 -1.867 -7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.930 -0.518 -5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.574 -0.813 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.175 -3.243 -6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.619 -2.719 -4.874 1.00 0.00 H new ATOM 334 N ARG A 21 -14.924 0.128 -8.619 1.00 0.00 N ATOM 335 CA ARG A 21 -16.127 0.198 -9.495 1.00 0.00 C ATOM 336 C ARG A 21 -15.718 -0.228 -10.904 1.00 0.00 C ATOM 337 O ARG A 21 -16.267 -1.152 -11.471 1.00 0.00 O ATOM 338 CB ARG A 21 -16.683 1.638 -9.481 1.00 0.00 C ATOM 339 CG ARG A 21 -17.178 2.050 -10.873 1.00 0.00 C ATOM 340 CD ARG A 21 -18.339 1.147 -11.287 1.00 0.00 C ATOM 341 NE ARG A 21 -19.554 1.976 -11.515 1.00 0.00 N ATOM 342 CZ ARG A 21 -19.951 2.228 -12.732 1.00 0.00 C ATOM 343 NH1 ARG A 21 -19.875 1.301 -13.648 1.00 0.00 N ATOM 344 NH2 ARG A 21 -20.426 3.405 -13.032 1.00 0.00 N ATOM 0 H ARG A 21 -14.624 1.019 -8.223 1.00 0.00 H new ATOM 0 HA ARG A 21 -16.912 -0.468 -9.138 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -17.501 1.709 -8.765 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.907 2.328 -9.148 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -17.499 3.092 -10.863 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.367 1.973 -11.597 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.083 0.600 -12.195 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.532 0.405 -10.512 1.00 0.00 H new ATOM 0 HE ARG A 21 -20.076 2.347 -10.721 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -19.505 0.380 -13.412 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -20.185 1.498 -14.600 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -20.487 4.128 -12.315 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.736 3.602 -13.983 1.00 0.00 H new ATOM 358 N ALA A 22 -14.742 0.428 -11.467 1.00 0.00 N ATOM 359 CA ALA A 22 -14.286 0.044 -12.831 1.00 0.00 C ATOM 360 C ALA A 22 -13.688 -1.369 -12.782 1.00 0.00 C ATOM 361 O ALA A 22 -13.409 -1.972 -13.800 1.00 0.00 O ATOM 362 CB ALA A 22 -13.225 1.036 -13.311 1.00 0.00 C ATOM 0 H ALA A 22 -14.242 1.210 -11.044 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.130 0.059 -13.520 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.890 0.756 -14.310 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.651 2.039 -13.339 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.377 1.021 -12.627 1.00 0.00 H new ATOM 368 N LEU A 23 -13.492 -1.897 -11.601 1.00 0.00 N ATOM 369 CA LEU A 23 -12.916 -3.267 -11.467 1.00 0.00 C ATOM 370 C LEU A 23 -14.035 -4.306 -11.557 1.00 0.00 C ATOM 371 O LEU A 23 -13.806 -5.449 -11.910 1.00 0.00 O ATOM 372 CB LEU A 23 -12.235 -3.386 -10.107 1.00 0.00 C ATOM 373 CG LEU A 23 -10.760 -3.717 -10.303 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.622 -4.899 -11.252 1.00 0.00 C ATOM 375 CD2 LEU A 23 -10.035 -2.504 -10.893 1.00 0.00 C ATOM 0 H LEU A 23 -13.708 -1.434 -10.718 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.194 -3.440 -12.266 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.339 -2.453 -9.554 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.717 -4.163 -9.514 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.318 -3.972 -9.340 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.566 -5.133 -11.390 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.134 -5.765 -10.832 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.067 -4.647 -12.215 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.981 -2.743 -11.032 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.479 -2.247 -11.855 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.129 -1.658 -10.212 1.00 0.00 H new ATOM 387 N ALA A 24 -15.243 -3.919 -11.238 1.00 0.00 N ATOM 388 CA ALA A 24 -16.373 -4.885 -11.309 1.00 0.00 C ATOM 389 C ALA A 24 -16.460 -5.430 -12.733 1.00 0.00 C ATOM 390 O ALA A 24 -16.618 -6.616 -12.949 1.00 0.00 O ATOM 391 CB ALA A 24 -17.682 -4.179 -10.944 1.00 0.00 C ATOM 0 H ALA A 24 -15.493 -2.978 -10.933 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.207 -5.703 -10.607 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.506 -4.890 -10.997 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -17.611 -3.781 -9.932 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -17.862 -3.362 -11.643 1.00 0.00 H new ATOM 397 N GLY A 25 -16.341 -4.573 -13.710 1.00 0.00 N ATOM 398 CA GLY A 25 -16.399 -5.039 -15.123 1.00 0.00 C ATOM 399 C GLY A 25 -15.109 -5.793 -15.450 1.00 0.00 C ATOM 400 O GLY A 25 -15.135 -6.877 -15.997 1.00 0.00 O ATOM 0 H GLY A 25 -16.206 -3.569 -13.590 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.262 -5.688 -15.271 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.520 -4.190 -15.795 1.00 0.00 H new ATOM 404 N ALA A 26 -13.978 -5.231 -15.112 1.00 0.00 N ATOM 405 CA ALA A 26 -12.689 -5.922 -15.398 1.00 0.00 C ATOM 406 C ALA A 26 -12.686 -7.286 -14.705 1.00 0.00 C ATOM 407 O ALA A 26 -11.908 -8.160 -15.034 1.00 0.00 O ATOM 408 CB ALA A 26 -11.526 -5.077 -14.872 1.00 0.00 C ATOM 0 H ALA A 26 -13.893 -4.325 -14.651 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.577 -6.057 -16.474 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.584 -5.584 -15.082 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.532 -4.104 -15.363 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.633 -4.941 -13.796 1.00 0.00 H new ATOM 414 N GLY A 27 -13.556 -7.473 -13.749 1.00 0.00 N ATOM 415 CA GLY A 27 -13.617 -8.780 -13.035 1.00 0.00 C ATOM 416 C GLY A 27 -12.303 -9.036 -12.296 1.00 0.00 C ATOM 417 O GLY A 27 -11.678 -10.065 -12.463 1.00 0.00 O ATOM 0 H GLY A 27 -14.228 -6.775 -13.431 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.447 -8.779 -12.328 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.806 -9.584 -13.747 1.00 0.00 H new ATOM 421 N LEU A 28 -11.878 -8.117 -11.471 1.00 0.00 N ATOM 422 CA LEU A 28 -10.606 -8.333 -10.720 1.00 0.00 C ATOM 423 C LEU A 28 -10.715 -7.728 -9.325 1.00 0.00 C ATOM 424 O LEU A 28 -11.705 -7.122 -8.967 1.00 0.00 O ATOM 425 CB LEU A 28 -9.444 -7.670 -11.450 1.00 0.00 C ATOM 426 CG LEU A 28 -8.699 -8.707 -12.282 1.00 0.00 C ATOM 427 CD1 LEU A 28 -9.436 -8.915 -13.605 1.00 0.00 C ATOM 428 CD2 LEU A 28 -7.283 -8.201 -12.557 1.00 0.00 C ATOM 0 H LEU A 28 -12.351 -7.233 -11.285 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.429 -9.406 -10.646 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.814 -6.872 -12.093 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.765 -7.211 -10.731 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.651 -9.653 -11.742 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.907 -9.656 -14.204 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.449 -9.265 -13.406 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.479 -7.972 -14.150 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.743 -8.937 -13.152 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.333 -7.259 -13.103 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.762 -8.045 -11.612 1.00 0.00 H new ATOM 440 N THR A 29 -9.708 -7.926 -8.530 1.00 0.00 N ATOM 441 CA THR A 29 -9.736 -7.405 -7.133 1.00 0.00 C ATOM 442 C THR A 29 -8.785 -6.214 -6.972 1.00 0.00 C ATOM 443 O THR A 29 -7.650 -6.369 -6.563 1.00 0.00 O ATOM 444 CB THR A 29 -9.293 -8.520 -6.186 1.00 0.00 C ATOM 445 OG1 THR A 29 -10.275 -9.547 -6.174 1.00 0.00 O ATOM 446 CG2 THR A 29 -9.125 -7.955 -4.774 1.00 0.00 C ATOM 0 H THR A 29 -8.859 -8.429 -8.786 1.00 0.00 H new ATOM 0 HA THR A 29 -10.749 -7.076 -6.902 1.00 0.00 H new ATOM 0 HB THR A 29 -8.342 -8.930 -6.526 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.992 -10.264 -5.569 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.809 -8.750 -4.099 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.372 -7.167 -4.785 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.075 -7.544 -4.431 1.00 0.00 H new ATOM 454 N CYS A 30 -9.229 -5.026 -7.282 1.00 0.00 N ATOM 455 CA CYS A 30 -8.346 -3.841 -7.133 1.00 0.00 C ATOM 456 C CYS A 30 -8.479 -3.269 -5.723 1.00 0.00 C ATOM 457 O CYS A 30 -9.206 -2.322 -5.495 1.00 0.00 O ATOM 458 CB CYS A 30 -8.767 -2.788 -8.146 1.00 0.00 C ATOM 459 SG CYS A 30 -7.674 -1.351 -8.029 1.00 0.00 S ATOM 0 H CYS A 30 -10.166 -4.828 -7.632 1.00 0.00 H new ATOM 0 HA CYS A 30 -7.309 -4.132 -7.302 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.729 -3.204 -9.153 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.799 -2.487 -7.964 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.241 -1.037 -9.214 1.00 0.00 H new ATOM 465 N THR A 31 -7.769 -3.817 -4.778 1.00 0.00 N ATOM 466 CA THR A 31 -7.852 -3.273 -3.397 1.00 0.00 C ATOM 467 C THR A 31 -6.968 -2.034 -3.329 1.00 0.00 C ATOM 468 O THR A 31 -5.804 -2.076 -3.667 1.00 0.00 O ATOM 469 CB THR A 31 -7.362 -4.311 -2.385 1.00 0.00 C ATOM 470 OG1 THR A 31 -7.982 -5.564 -2.651 1.00 0.00 O ATOM 471 CG2 THR A 31 -7.720 -3.841 -0.973 1.00 0.00 C ATOM 0 H THR A 31 -7.140 -4.611 -4.901 1.00 0.00 H new ATOM 0 HA THR A 31 -8.885 -3.023 -3.156 1.00 0.00 H new ATOM 0 HB THR A 31 -6.281 -4.426 -2.466 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.667 -6.229 -2.004 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.374 -4.576 -0.246 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.240 -2.882 -0.776 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.801 -3.730 -0.890 1.00 0.00 H new ATOM 479 N THR A 32 -7.503 -0.923 -2.921 1.00 0.00 N ATOM 480 CA THR A 32 -6.665 0.303 -2.873 1.00 0.00 C ATOM 481 C THR A 32 -6.563 0.829 -1.445 1.00 0.00 C ATOM 482 O THR A 32 -7.522 0.825 -0.697 1.00 0.00 O ATOM 483 CB THR A 32 -7.279 1.371 -3.762 1.00 0.00 C ATOM 484 OG1 THR A 32 -8.597 1.629 -3.314 1.00 0.00 O ATOM 485 CG2 THR A 32 -7.309 0.884 -5.212 1.00 0.00 C ATOM 0 H THR A 32 -8.471 -0.809 -2.622 1.00 0.00 H new ATOM 0 HA THR A 32 -5.664 0.056 -3.227 1.00 0.00 H new ATOM 0 HB THR A 32 -6.685 2.283 -3.712 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.238 1.206 -3.923 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.750 1.654 -5.845 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.293 0.677 -5.547 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.905 -0.026 -5.278 1.00 0.00 H new ATOM 493 N PHE A 33 -5.403 1.294 -1.068 1.00 0.00 N ATOM 494 CA PHE A 33 -5.219 1.836 0.312 1.00 0.00 C ATOM 495 C PHE A 33 -4.882 3.326 0.227 1.00 0.00 C ATOM 496 O PHE A 33 -3.832 3.697 -0.254 1.00 0.00 O ATOM 497 CB PHE A 33 -4.058 1.113 1.000 1.00 0.00 C ATOM 498 CG PHE A 33 -4.555 -0.114 1.736 1.00 0.00 C ATOM 499 CD1 PHE A 33 -5.736 -0.753 1.338 1.00 0.00 C ATOM 500 CD2 PHE A 33 -3.821 -0.619 2.818 1.00 0.00 C ATOM 501 CE1 PHE A 33 -6.183 -1.891 2.020 1.00 0.00 C ATOM 502 CE2 PHE A 33 -4.269 -1.757 3.500 1.00 0.00 C ATOM 503 CZ PHE A 33 -5.450 -2.393 3.101 1.00 0.00 C ATOM 0 H PHE A 33 -4.571 1.323 -1.657 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.137 1.687 0.881 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.313 0.822 0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.565 1.788 1.699 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.303 -0.367 0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.909 -0.130 3.126 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.094 -2.382 1.712 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.703 -2.144 4.334 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.795 -3.271 3.627 1.00 0.00 H new ATOM 513 N GLU A 34 -5.759 4.177 0.697 1.00 0.00 N ATOM 514 CA GLU A 34 -5.491 5.648 0.651 1.00 0.00 C ATOM 515 C GLU A 34 -4.004 5.920 0.921 1.00 0.00 C ATOM 516 O GLU A 34 -3.451 6.896 0.452 1.00 0.00 O ATOM 517 CB GLU A 34 -6.335 6.347 1.721 1.00 0.00 C ATOM 518 CG GLU A 34 -7.821 6.194 1.387 1.00 0.00 C ATOM 519 CD GLU A 34 -8.651 7.037 2.357 1.00 0.00 C ATOM 520 OE1 GLU A 34 -8.467 8.243 2.371 1.00 0.00 O ATOM 521 OE2 GLU A 34 -9.456 6.464 3.071 1.00 0.00 O ATOM 0 H GLU A 34 -6.653 3.915 1.112 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.751 6.030 -0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.126 5.917 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.071 7.403 1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.009 6.511 0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.114 5.146 1.456 1.00 0.00 H new ATOM 528 N ASN A 35 -3.352 5.068 1.673 1.00 0.00 N ATOM 529 CA ASN A 35 -1.904 5.291 1.967 1.00 0.00 C ATOM 530 C ASN A 35 -1.060 4.132 1.420 1.00 0.00 C ATOM 531 O ASN A 35 -1.178 2.992 1.848 1.00 0.00 O ATOM 532 CB ASN A 35 -1.704 5.396 3.481 1.00 0.00 C ATOM 533 CG ASN A 35 -1.308 6.828 3.845 1.00 0.00 C ATOM 534 OD1 ASN A 35 -0.140 7.164 3.856 1.00 0.00 O ATOM 535 ND2 ASN A 35 -2.238 7.692 4.145 1.00 0.00 N ATOM 0 H ASN A 35 -3.758 4.232 2.094 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.585 6.215 1.485 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.621 5.118 4.000 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.931 4.700 3.806 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.985 8.650 4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.218 7.410 4.136 1.00 0.00 H new ATOM 542 N GLY A 36 -0.196 4.419 0.484 1.00 0.00 N ATOM 543 CA GLY A 36 0.667 3.348 -0.088 1.00 0.00 C ATOM 544 C GLY A 36 1.307 2.562 1.050 1.00 0.00 C ATOM 545 O GLY A 36 1.229 1.353 1.094 1.00 0.00 O ATOM 0 H GLY A 36 -0.051 5.349 0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.075 2.684 -0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.438 3.785 -0.723 1.00 0.00 H new ATOM 549 N ASN A 37 1.935 3.241 1.973 1.00 0.00 N ATOM 550 CA ASN A 37 2.575 2.530 3.113 1.00 0.00 C ATOM 551 C ASN A 37 1.620 1.449 3.623 1.00 0.00 C ATOM 552 O ASN A 37 1.837 0.279 3.406 1.00 0.00 O ATOM 553 CB ASN A 37 2.874 3.524 4.239 1.00 0.00 C ATOM 554 CG ASN A 37 3.798 2.869 5.267 1.00 0.00 C ATOM 555 OD1 ASN A 37 3.329 1.934 6.045 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 4.960 3.214 5.365 1.00 0.00 N flip ATOM 0 H ASN A 37 2.031 4.256 1.985 1.00 0.00 H new ATOM 0 HA ASN A 37 3.508 2.073 2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.343 4.420 3.832 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.946 3.838 4.717 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.328 3.945 4.757 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.567 2.772 6.055 1.00 0.00 H new ATOM 563 N GLU A 38 0.563 1.834 4.293 1.00 0.00 N ATOM 564 CA GLU A 38 -0.416 0.830 4.820 1.00 0.00 C ATOM 565 C GLU A 38 -0.475 -0.387 3.891 1.00 0.00 C ATOM 566 O GLU A 38 -0.567 -1.515 4.334 1.00 0.00 O ATOM 567 CB GLU A 38 -1.800 1.471 4.897 1.00 0.00 C ATOM 568 CG GLU A 38 -2.795 0.459 5.464 1.00 0.00 C ATOM 569 CD GLU A 38 -2.673 0.418 6.988 1.00 0.00 C ATOM 570 OE1 GLU A 38 -1.904 1.201 7.522 1.00 0.00 O ATOM 571 OE2 GLU A 38 -3.352 -0.394 7.595 1.00 0.00 O ATOM 0 H GLU A 38 0.333 2.806 4.500 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.098 0.507 5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.767 2.359 5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.119 1.796 3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.810 0.733 5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.602 -0.529 5.047 1.00 0.00 H new ATOM 578 N VAL A 39 -0.423 -0.164 2.605 1.00 0.00 N ATOM 579 CA VAL A 39 -0.476 -1.310 1.645 1.00 0.00 C ATOM 580 C VAL A 39 0.757 -2.213 1.825 1.00 0.00 C ATOM 581 O VAL A 39 0.626 -3.398 2.056 1.00 0.00 O ATOM 582 CB VAL A 39 -0.560 -0.762 0.202 1.00 0.00 C ATOM 583 CG1 VAL A 39 0.408 -1.494 -0.739 1.00 0.00 C ATOM 584 CG2 VAL A 39 -1.985 -0.946 -0.318 1.00 0.00 C ATOM 0 H VAL A 39 -0.346 0.758 2.177 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.361 -1.914 1.843 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.285 0.293 0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.320 -1.081 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.430 -1.365 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.162 -2.556 -0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.053 -0.562 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.240 -2.006 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.679 -0.402 0.322 1.00 0.00 H new ATOM 594 N LEU A 40 1.951 -1.683 1.714 1.00 0.00 N ATOM 595 CA LEU A 40 3.145 -2.568 1.879 1.00 0.00 C ATOM 596 C LEU A 40 3.398 -2.820 3.366 1.00 0.00 C ATOM 597 O LEU A 40 4.332 -3.498 3.745 1.00 0.00 O ATOM 598 CB LEU A 40 4.410 -2.003 1.184 1.00 0.00 C ATOM 599 CG LEU A 40 4.713 -0.538 1.527 1.00 0.00 C ATOM 600 CD1 LEU A 40 3.782 0.387 0.749 1.00 0.00 C ATOM 601 CD2 LEU A 40 4.576 -0.294 3.031 1.00 0.00 C ATOM 0 H LEU A 40 2.148 -0.701 1.521 1.00 0.00 H new ATOM 0 HA LEU A 40 2.926 -3.514 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.268 -2.615 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.290 -2.095 0.105 1.00 0.00 H new ATOM 0 HG LEU A 40 5.742 -0.322 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.006 1.424 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.927 0.233 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.747 0.166 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.795 0.751 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.559 -0.526 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.277 -0.933 3.569 1.00 0.00 H new ATOM 613 N ALA A 41 2.543 -2.305 4.210 1.00 0.00 N ATOM 614 CA ALA A 41 2.697 -2.537 5.669 1.00 0.00 C ATOM 615 C ALA A 41 1.738 -3.659 6.068 1.00 0.00 C ATOM 616 O ALA A 41 1.938 -4.350 7.046 1.00 0.00 O ATOM 617 CB ALA A 41 2.347 -1.262 6.439 1.00 0.00 C ATOM 0 H ALA A 41 1.742 -1.731 3.946 1.00 0.00 H new ATOM 0 HA ALA A 41 3.726 -2.811 5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.462 -1.440 7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.014 -0.456 6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.316 -0.980 6.227 1.00 0.00 H new ATOM 623 N ALA A 42 0.697 -3.846 5.298 1.00 0.00 N ATOM 624 CA ALA A 42 -0.282 -4.924 5.601 1.00 0.00 C ATOM 625 C ALA A 42 -0.008 -6.114 4.676 1.00 0.00 C ATOM 626 O ALA A 42 -0.406 -7.231 4.943 1.00 0.00 O ATOM 627 CB ALA A 42 -1.701 -4.404 5.360 1.00 0.00 C ATOM 0 H ALA A 42 0.485 -3.293 4.468 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.185 -5.234 6.641 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.420 -5.193 5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.890 -3.548 6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.805 -4.100 4.318 1.00 0.00 H new ATOM 633 N LEU A 43 0.677 -5.875 3.590 1.00 0.00 N ATOM 634 CA LEU A 43 0.997 -6.971 2.635 1.00 0.00 C ATOM 635 C LEU A 43 2.334 -7.609 3.020 1.00 0.00 C ATOM 636 O LEU A 43 2.814 -8.513 2.369 1.00 0.00 O ATOM 637 CB LEU A 43 1.106 -6.375 1.241 1.00 0.00 C ATOM 638 CG LEU A 43 -0.272 -6.351 0.580 1.00 0.00 C ATOM 639 CD1 LEU A 43 -0.178 -5.653 -0.778 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.764 -7.784 0.384 1.00 0.00 C ATOM 0 H LEU A 43 1.031 -4.957 3.323 1.00 0.00 H new ATOM 0 HA LEU A 43 0.217 -7.732 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.510 -5.364 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.799 -6.962 0.638 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.971 -5.808 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.161 -5.637 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.174 -4.631 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.520 -6.193 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.747 -7.770 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.064 -8.325 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.833 -8.281 1.352 1.00 0.00 H new ATOM 652 N ALA A 44 2.935 -7.125 4.070 1.00 0.00 N ATOM 653 CA ALA A 44 4.250 -7.664 4.531 1.00 0.00 C ATOM 654 C ALA A 44 4.331 -9.175 4.291 1.00 0.00 C ATOM 655 O ALA A 44 5.393 -9.714 4.050 1.00 0.00 O ATOM 656 CB ALA A 44 4.410 -7.381 6.025 1.00 0.00 C ATOM 0 H ALA A 44 2.565 -6.364 4.640 1.00 0.00 H new ATOM 0 HA ALA A 44 5.046 -7.179 3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.368 -7.772 6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.374 -6.305 6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.603 -7.864 6.575 1.00 0.00 H new ATOM 662 N SER A 45 3.226 -9.865 4.351 1.00 0.00 N ATOM 663 CA SER A 45 3.262 -11.337 4.118 1.00 0.00 C ATOM 664 C SER A 45 3.673 -11.589 2.669 1.00 0.00 C ATOM 665 O SER A 45 4.628 -12.286 2.390 1.00 0.00 O ATOM 666 CB SER A 45 1.876 -11.933 4.366 1.00 0.00 C ATOM 667 OG SER A 45 2.015 -13.179 5.036 1.00 0.00 O ATOM 0 H SER A 45 2.304 -9.477 4.550 1.00 0.00 H new ATOM 0 HA SER A 45 3.975 -11.803 4.798 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.275 -11.249 4.966 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.352 -12.072 3.420 1.00 0.00 H new ATOM 0 HG SER A 45 1.128 -13.564 5.198 1.00 0.00 H new ATOM 673 N LYS A 46 2.957 -11.014 1.746 1.00 0.00 N ATOM 674 CA LYS A 46 3.293 -11.196 0.306 1.00 0.00 C ATOM 675 C LYS A 46 2.104 -10.744 -0.544 1.00 0.00 C ATOM 676 O LYS A 46 1.038 -11.323 -0.490 1.00 0.00 O ATOM 677 CB LYS A 46 3.599 -12.671 0.028 1.00 0.00 C ATOM 678 CG LYS A 46 5.114 -12.865 -0.079 1.00 0.00 C ATOM 679 CD LYS A 46 5.457 -13.473 -1.440 1.00 0.00 C ATOM 680 CE LYS A 46 6.751 -14.286 -1.329 1.00 0.00 C ATOM 681 NZ LYS A 46 6.609 -15.554 -2.099 1.00 0.00 N ATOM 0 H LYS A 46 2.147 -10.421 1.928 1.00 0.00 H new ATOM 0 HA LYS A 46 4.171 -10.600 0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.197 -13.294 0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.115 -12.986 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.623 -11.909 0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.465 -13.517 0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.642 -14.112 -1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.574 -12.684 -2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.591 -13.707 -1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.967 -14.505 -0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.487 -16.106 -2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.818 -16.108 -1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.423 -15.334 -3.098 1.00 0.00 H new ATOM 695 N THR A 47 2.274 -9.710 -1.326 1.00 0.00 N ATOM 696 CA THR A 47 1.145 -9.224 -2.173 1.00 0.00 C ATOM 697 C THR A 47 0.460 -10.426 -2.834 1.00 0.00 C ATOM 698 O THR A 47 0.978 -11.524 -2.805 1.00 0.00 O ATOM 699 CB THR A 47 1.678 -8.271 -3.245 1.00 0.00 C ATOM 700 OG1 THR A 47 2.993 -7.859 -2.901 1.00 0.00 O ATOM 701 CG2 THR A 47 0.770 -7.046 -3.336 1.00 0.00 C ATOM 0 H THR A 47 3.143 -9.183 -1.415 1.00 0.00 H new ATOM 0 HA THR A 47 0.424 -8.690 -1.554 1.00 0.00 H new ATOM 0 HB THR A 47 1.696 -8.782 -4.207 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.232 -7.062 -3.419 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.150 -6.367 -4.100 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.240 -7.360 -3.600 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.751 -6.535 -2.373 1.00 0.00 H new ATOM 709 N PRO A 48 -0.695 -10.183 -3.400 1.00 0.00 N ATOM 710 CA PRO A 48 -1.415 -11.307 -4.037 1.00 0.00 C ATOM 711 C PRO A 48 -1.043 -11.444 -5.517 1.00 0.00 C ATOM 712 O PRO A 48 -0.462 -12.431 -5.921 1.00 0.00 O ATOM 713 CB PRO A 48 -2.891 -10.954 -3.888 1.00 0.00 C ATOM 714 CG PRO A 48 -2.953 -9.425 -3.706 1.00 0.00 C ATOM 715 CD PRO A 48 -1.553 -8.983 -3.249 1.00 0.00 C ATOM 0 HA PRO A 48 -1.163 -12.261 -3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.456 -11.264 -4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.329 -11.466 -3.031 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.230 -8.934 -4.639 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.706 -9.152 -2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.184 -8.157 -3.856 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.568 -8.637 -2.215 1.00 0.00 H new ATOM 723 N ASP A 49 -1.386 -10.486 -6.341 1.00 0.00 N ATOM 724 CA ASP A 49 -1.051 -10.625 -7.786 1.00 0.00 C ATOM 725 C ASP A 49 -0.174 -9.467 -8.269 1.00 0.00 C ATOM 726 O ASP A 49 0.884 -9.679 -8.829 1.00 0.00 O ATOM 727 CB ASP A 49 -2.344 -10.659 -8.600 1.00 0.00 C ATOM 728 CG ASP A 49 -3.023 -12.015 -8.409 1.00 0.00 C ATOM 729 OD1 ASP A 49 -2.667 -12.706 -7.470 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.890 -12.338 -9.204 1.00 0.00 O ATOM 0 H ASP A 49 -1.875 -9.629 -6.080 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.493 -11.552 -7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.010 -9.857 -8.281 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.128 -10.493 -9.655 1.00 0.00 H new ATOM 735 N VAL A 50 -0.603 -8.247 -8.094 1.00 0.00 N ATOM 736 CA VAL A 50 0.219 -7.106 -8.586 1.00 0.00 C ATOM 737 C VAL A 50 0.017 -5.883 -7.695 1.00 0.00 C ATOM 738 O VAL A 50 -1.078 -5.591 -7.290 1.00 0.00 O ATOM 739 CB VAL A 50 -0.203 -6.791 -10.031 1.00 0.00 C ATOM 740 CG1 VAL A 50 -1.178 -5.619 -10.090 1.00 0.00 C ATOM 741 CG2 VAL A 50 1.037 -6.452 -10.858 1.00 0.00 C ATOM 0 H VAL A 50 -1.478 -7.993 -7.636 1.00 0.00 H new ATOM 0 HA VAL A 50 1.276 -7.371 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.704 -7.671 -10.434 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.453 -5.426 -11.127 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.073 -5.861 -9.516 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.706 -4.731 -9.669 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.741 -6.228 -11.883 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.536 -5.584 -10.427 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.720 -7.302 -10.855 1.00 0.00 H new ATOM 751 N LEU A 51 1.061 -5.163 -7.398 1.00 0.00 N ATOM 752 CA LEU A 51 0.903 -3.959 -6.540 1.00 0.00 C ATOM 753 C LEU A 51 0.906 -2.698 -7.412 1.00 0.00 C ATOM 754 O LEU A 51 1.926 -2.297 -7.940 1.00 0.00 O ATOM 755 CB LEU A 51 2.053 -3.891 -5.535 1.00 0.00 C ATOM 756 CG LEU A 51 1.485 -3.644 -4.136 1.00 0.00 C ATOM 757 CD1 LEU A 51 2.610 -3.718 -3.103 1.00 0.00 C ATOM 758 CD2 LEU A 51 0.836 -2.258 -4.089 1.00 0.00 C ATOM 0 H LEU A 51 2.013 -5.355 -7.711 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.043 -4.022 -6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.621 -4.821 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.743 -3.092 -5.807 1.00 0.00 H new ATOM 0 HG LEU A 51 0.738 -4.404 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.202 -3.542 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.071 -4.705 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.360 -2.960 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.430 -2.080 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.583 -1.498 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.031 -2.208 -4.823 1.00 0.00 H new ATOM 770 N LEU A 52 -0.225 -2.064 -7.561 1.00 0.00 N ATOM 771 CA LEU A 52 -0.281 -0.827 -8.389 1.00 0.00 C ATOM 772 C LEU A 52 -0.219 0.393 -7.466 1.00 0.00 C ATOM 773 O LEU A 52 -0.150 0.268 -6.257 1.00 0.00 O ATOM 774 CB LEU A 52 -1.586 -0.797 -9.186 1.00 0.00 C ATOM 775 CG LEU A 52 -1.277 -0.740 -10.681 1.00 0.00 C ATOM 776 CD1 LEU A 52 -1.634 -2.081 -11.325 1.00 0.00 C ATOM 777 CD2 LEU A 52 -2.109 0.371 -11.328 1.00 0.00 C ATOM 0 H LEU A 52 -1.112 -2.349 -7.145 1.00 0.00 H new ATOM 0 HA LEU A 52 0.561 -0.812 -9.081 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.181 -1.683 -8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.181 0.069 -8.895 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.216 -0.536 -10.827 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.414 -2.042 -12.392 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.047 -2.875 -10.862 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.695 -2.283 -11.180 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.891 0.414 -12.395 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.169 0.163 -11.182 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.860 1.327 -10.868 1.00 0.00 H new ATOM 789 N SER A 53 -0.235 1.573 -8.018 1.00 0.00 N ATOM 790 CA SER A 53 -0.165 2.782 -7.153 1.00 0.00 C ATOM 791 C SER A 53 -0.626 4.020 -7.921 1.00 0.00 C ATOM 792 O SER A 53 -0.115 4.329 -8.981 1.00 0.00 O ATOM 793 CB SER A 53 1.283 2.988 -6.711 1.00 0.00 C ATOM 794 OG SER A 53 1.631 1.990 -5.760 1.00 0.00 O ATOM 0 H SER A 53 -0.293 1.752 -9.020 1.00 0.00 H new ATOM 0 HA SER A 53 -0.815 2.638 -6.290 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.949 2.934 -7.572 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.405 3.980 -6.275 1.00 0.00 H new ATOM 0 HG SER A 53 0.852 1.424 -5.580 1.00 0.00 H new ATOM 800 N ASP A 54 -1.571 4.751 -7.388 1.00 0.00 N ATOM 801 CA ASP A 54 -2.027 5.980 -8.087 1.00 0.00 C ATOM 802 C ASP A 54 -0.938 7.049 -7.946 1.00 0.00 C ATOM 803 O ASP A 54 0.238 6.743 -7.946 1.00 0.00 O ATOM 804 CB ASP A 54 -3.328 6.480 -7.457 1.00 0.00 C ATOM 805 CG ASP A 54 -4.145 7.229 -8.511 1.00 0.00 C ATOM 806 OD1 ASP A 54 -3.802 7.130 -9.679 1.00 0.00 O ATOM 807 OD2 ASP A 54 -5.099 7.889 -8.135 1.00 0.00 O ATOM 0 H ASP A 54 -2.041 4.549 -6.506 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.208 5.767 -9.141 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.902 5.640 -7.065 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.109 7.137 -6.615 1.00 0.00 H new ATOM 812 N ILE A 55 -1.309 8.293 -7.816 1.00 0.00 N ATOM 813 CA ILE A 55 -0.279 9.361 -7.665 1.00 0.00 C ATOM 814 C ILE A 55 -0.959 10.732 -7.667 1.00 0.00 C ATOM 815 O ILE A 55 -0.957 11.438 -8.656 1.00 0.00 O ATOM 816 CB ILE A 55 0.725 9.271 -8.821 1.00 0.00 C ATOM 817 CG1 ILE A 55 1.668 10.480 -8.791 1.00 0.00 C ATOM 818 CG2 ILE A 55 -0.024 9.241 -10.154 1.00 0.00 C ATOM 819 CD1 ILE A 55 2.991 10.081 -8.135 1.00 0.00 C ATOM 0 H ILE A 55 -2.276 8.616 -7.808 1.00 0.00 H new ATOM 0 HA ILE A 55 0.250 9.228 -6.722 1.00 0.00 H new ATOM 0 HB ILE A 55 1.310 8.357 -8.712 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.847 10.840 -9.804 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.208 11.299 -8.238 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.693 9.177 -10.973 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.684 8.374 -10.181 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.615 10.151 -10.260 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.661 10.941 -8.114 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.804 9.742 -7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.452 9.276 -8.707 1.00 0.00 H new ATOM 831 N ARG A 56 -1.538 11.117 -6.563 1.00 0.00 N ATOM 832 CA ARG A 56 -2.212 12.443 -6.500 1.00 0.00 C ATOM 833 C ARG A 56 -2.698 12.706 -5.072 1.00 0.00 C ATOM 834 O ARG A 56 -3.845 12.481 -4.745 1.00 0.00 O ATOM 835 CB ARG A 56 -3.408 12.457 -7.454 1.00 0.00 C ATOM 836 CG ARG A 56 -3.963 13.877 -7.548 1.00 0.00 C ATOM 837 CD ARG A 56 -4.951 14.113 -6.405 1.00 0.00 C ATOM 838 NE ARG A 56 -5.984 15.098 -6.835 1.00 0.00 N ATOM 839 CZ ARG A 56 -6.974 14.715 -7.595 1.00 0.00 C ATOM 840 NH1 ARG A 56 -7.989 14.080 -7.075 1.00 0.00 N ATOM 841 NH2 ARG A 56 -6.949 14.970 -8.874 1.00 0.00 N ATOM 0 H ARG A 56 -1.573 10.570 -5.703 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.505 13.219 -6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.105 12.107 -8.441 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.180 11.775 -7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.150 14.601 -7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.459 14.023 -8.508 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.425 13.174 -6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.424 14.483 -5.526 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.917 16.071 -6.536 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.009 13.883 -6.074 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.762 13.781 -7.669 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.157 15.468 -9.279 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.722 14.671 -9.469 1.00 0.00 H new ATOM 855 N MET A 57 -1.832 13.187 -4.220 1.00 0.00 N ATOM 856 CA MET A 57 -2.244 13.470 -2.816 1.00 0.00 C ATOM 857 C MET A 57 -1.781 14.875 -2.426 1.00 0.00 C ATOM 858 O MET A 57 -0.615 15.197 -2.533 1.00 0.00 O ATOM 859 CB MET A 57 -1.605 12.446 -1.876 1.00 0.00 C ATOM 860 CG MET A 57 -2.552 11.258 -1.697 1.00 0.00 C ATOM 861 SD MET A 57 -3.309 11.334 -0.055 1.00 0.00 S ATOM 862 CE MET A 57 -1.999 10.460 0.837 1.00 0.00 C ATOM 0 H MET A 57 -0.857 13.396 -4.437 1.00 0.00 H new ATOM 0 HA MET A 57 -3.329 13.406 -2.737 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.652 12.107 -2.283 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.394 12.905 -0.910 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.324 11.275 -2.466 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.005 10.322 -1.815 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.262 10.390 1.893 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.884 9.458 0.424 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.061 11.005 0.732 1.00 0.00 H new ATOM 872 N PRO A 58 -2.720 15.666 -1.988 1.00 0.00 N ATOM 873 CA PRO A 58 -2.370 17.046 -1.588 1.00 0.00 C ATOM 874 C PRO A 58 -1.153 17.043 -0.657 1.00 0.00 C ATOM 875 O PRO A 58 -1.244 16.654 0.491 1.00 0.00 O ATOM 876 CB PRO A 58 -3.609 17.555 -0.850 1.00 0.00 C ATOM 877 CG PRO A 58 -4.364 16.304 -0.361 1.00 0.00 C ATOM 878 CD PRO A 58 -3.875 15.132 -1.230 1.00 0.00 C ATOM 0 HA PRO A 58 -2.107 17.672 -2.440 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.328 18.192 -0.012 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -4.236 18.155 -1.510 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.162 16.116 0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -5.441 16.437 -0.460 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -3.583 14.281 -0.615 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.660 14.785 -1.902 1.00 0.00 H new ATOM 886 N GLY A 59 -0.019 17.479 -1.135 1.00 0.00 N ATOM 887 CA GLY A 59 1.192 17.503 -0.267 1.00 0.00 C ATOM 888 C GLY A 59 2.334 16.733 -0.934 1.00 0.00 C ATOM 889 O GLY A 59 2.131 15.699 -1.538 1.00 0.00 O ATOM 0 H GLY A 59 0.121 17.819 -2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.497 18.533 -0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.963 17.061 0.702 1.00 0.00 H new ATOM 893 N MET A 60 3.538 17.231 -0.823 1.00 0.00 N ATOM 894 CA MET A 60 4.701 16.531 -1.441 1.00 0.00 C ATOM 895 C MET A 60 4.515 16.455 -2.959 1.00 0.00 C ATOM 896 O MET A 60 5.226 15.746 -3.641 1.00 0.00 O ATOM 897 CB MET A 60 4.806 15.114 -0.873 1.00 0.00 C ATOM 898 CG MET A 60 5.340 15.174 0.560 1.00 0.00 C ATOM 899 SD MET A 60 7.034 15.812 0.548 1.00 0.00 S ATOM 900 CE MET A 60 7.772 14.479 -0.429 1.00 0.00 C ATOM 0 H MET A 60 3.765 18.094 -0.330 1.00 0.00 H new ATOM 0 HA MET A 60 5.612 17.085 -1.216 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.828 14.632 -0.888 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.468 14.511 -1.494 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.703 15.815 1.170 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.317 14.181 1.010 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.810 14.338 -0.127 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.217 13.556 -0.263 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.734 14.739 -1.487 1.00 0.00 H new ATOM 910 N ASP A 61 3.567 17.175 -3.494 1.00 0.00 N ATOM 911 CA ASP A 61 3.347 17.132 -4.967 1.00 0.00 C ATOM 912 C ASP A 61 3.393 15.680 -5.442 1.00 0.00 C ATOM 913 O ASP A 61 4.391 15.214 -5.953 1.00 0.00 O ATOM 914 CB ASP A 61 4.444 17.933 -5.673 1.00 0.00 C ATOM 915 CG ASP A 61 3.813 19.079 -6.466 1.00 0.00 C ATOM 916 OD1 ASP A 61 2.648 19.359 -6.241 1.00 0.00 O ATOM 917 OD2 ASP A 61 4.508 19.655 -7.287 1.00 0.00 O ATOM 0 H ASP A 61 2.938 17.789 -2.977 1.00 0.00 H new ATOM 0 HA ASP A 61 2.375 17.565 -5.203 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.148 18.328 -4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.010 17.284 -6.341 1.00 0.00 H new ATOM 922 N GLY A 62 2.319 14.960 -5.275 1.00 0.00 N ATOM 923 CA GLY A 62 2.301 13.537 -5.715 1.00 0.00 C ATOM 924 C GLY A 62 3.272 12.724 -4.858 1.00 0.00 C ATOM 925 O GLY A 62 4.436 12.588 -5.181 1.00 0.00 O ATOM 0 H GLY A 62 1.453 15.295 -4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.293 13.131 -5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.581 13.467 -6.766 1.00 0.00 H new ATOM 929 N LEU A 63 2.803 12.180 -3.768 1.00 0.00 N ATOM 930 CA LEU A 63 3.699 11.372 -2.894 1.00 0.00 C ATOM 931 C LEU A 63 4.317 10.236 -3.711 1.00 0.00 C ATOM 932 O LEU A 63 4.325 10.269 -4.926 1.00 0.00 O ATOM 933 CB LEU A 63 2.894 10.792 -1.725 1.00 0.00 C ATOM 934 CG LEU A 63 2.032 9.622 -2.210 1.00 0.00 C ATOM 935 CD1 LEU A 63 1.101 9.172 -1.082 1.00 0.00 C ATOM 936 CD2 LEU A 63 1.190 10.061 -3.410 1.00 0.00 C ATOM 0 H LEU A 63 1.839 12.260 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 63 4.492 12.007 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.570 10.455 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.260 11.565 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 63 2.682 8.797 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.488 8.340 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.695 8.855 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.456 10.001 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.579 9.225 -3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.543 10.888 -3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.848 10.383 -4.218 1.00 0.00 H new ATOM 948 N ALA A 64 4.836 9.231 -3.061 1.00 0.00 N ATOM 949 CA ALA A 64 5.451 8.103 -3.815 1.00 0.00 C ATOM 950 C ALA A 64 5.792 6.958 -2.858 1.00 0.00 C ATOM 951 O ALA A 64 6.881 6.886 -2.326 1.00 0.00 O ATOM 952 CB ALA A 64 6.733 8.590 -4.495 1.00 0.00 C ATOM 0 H ALA A 64 4.861 9.142 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 64 4.745 7.746 -4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.187 7.767 -5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.495 9.402 -5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.432 8.948 -3.739 1.00 0.00 H new ATOM 958 N LEU A 65 4.875 6.052 -2.643 1.00 0.00 N ATOM 959 CA LEU A 65 5.165 4.910 -1.731 1.00 0.00 C ATOM 960 C LEU A 65 5.800 3.773 -2.537 1.00 0.00 C ATOM 961 O LEU A 65 6.232 2.778 -1.991 1.00 0.00 O ATOM 962 CB LEU A 65 3.865 4.406 -1.089 1.00 0.00 C ATOM 963 CG LEU A 65 3.125 5.555 -0.390 1.00 0.00 C ATOM 964 CD1 LEU A 65 4.124 6.504 0.277 1.00 0.00 C ATOM 965 CD2 LEU A 65 2.301 6.327 -1.421 1.00 0.00 C ATOM 0 H LEU A 65 3.943 6.054 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 65 5.847 5.241 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.224 3.965 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.090 3.620 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 65 2.468 5.140 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.584 7.314 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.708 5.956 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.792 6.919 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.774 7.144 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.963 6.732 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.578 5.656 -1.885 1.00 0.00 H new ATOM 977 N LEU A 66 5.860 3.911 -3.831 1.00 0.00 N ATOM 978 CA LEU A 66 6.464 2.838 -4.669 1.00 0.00 C ATOM 979 C LEU A 66 7.828 2.444 -4.095 1.00 0.00 C ATOM 980 O LEU A 66 8.327 1.365 -4.345 1.00 0.00 O ATOM 981 CB LEU A 66 6.631 3.356 -6.103 1.00 0.00 C ATOM 982 CG LEU A 66 7.603 2.461 -6.876 1.00 0.00 C ATOM 983 CD1 LEU A 66 7.088 2.261 -8.302 1.00 0.00 C ATOM 984 CD2 LEU A 66 8.980 3.126 -6.921 1.00 0.00 C ATOM 0 H LEU A 66 5.516 4.722 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 66 5.815 1.963 -4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.664 3.375 -6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.002 4.381 -6.087 1.00 0.00 H new ATOM 0 HG LEU A 66 7.681 1.494 -6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.780 1.624 -8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.106 1.789 -8.271 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.011 3.228 -8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.673 2.490 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.901 4.092 -7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.348 3.270 -5.905 1.00 0.00 H new ATOM 996 N LYS A 67 8.437 3.308 -3.333 1.00 0.00 N ATOM 997 CA LYS A 67 9.769 2.975 -2.755 1.00 0.00 C ATOM 998 C LYS A 67 9.633 1.822 -1.752 1.00 0.00 C ATOM 999 O LYS A 67 10.414 0.886 -1.766 1.00 0.00 O ATOM 1000 CB LYS A 67 10.345 4.208 -2.055 1.00 0.00 C ATOM 1001 CG LYS A 67 11.675 3.847 -1.391 1.00 0.00 C ATOM 1002 CD LYS A 67 12.830 4.378 -2.242 1.00 0.00 C ATOM 1003 CE LYS A 67 13.080 5.850 -1.907 1.00 0.00 C ATOM 1004 NZ LYS A 67 14.530 6.054 -1.629 1.00 0.00 N ATOM 0 H LYS A 67 8.072 4.228 -3.086 1.00 0.00 H new ATOM 0 HA LYS A 67 10.441 2.667 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.493 5.012 -2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.642 4.576 -1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.721 4.274 -0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.757 2.766 -1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.731 3.794 -2.055 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.594 4.270 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.765 6.482 -2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.487 6.143 -1.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.702 7.054 -1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.816 5.461 -0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.085 5.790 -2.468 1.00 0.00 H new ATOM 1018 N GLN A 68 8.655 1.868 -0.882 1.00 0.00 N ATOM 1019 CA GLN A 68 8.510 0.758 0.102 1.00 0.00 C ATOM 1020 C GLN A 68 7.874 -0.462 -0.576 1.00 0.00 C ATOM 1021 O GLN A 68 8.316 -1.567 -0.383 1.00 0.00 O ATOM 1022 CB GLN A 68 7.666 1.197 1.313 1.00 0.00 C ATOM 1023 CG GLN A 68 6.428 1.984 0.870 1.00 0.00 C ATOM 1024 CD GLN A 68 6.675 3.477 1.089 1.00 0.00 C ATOM 1025 OE1 GLN A 68 5.760 4.216 1.385 1.00 0.00 O ATOM 1026 NE2 GLN A 68 7.884 3.953 0.961 1.00 0.00 N ATOM 0 H GLN A 68 7.963 2.614 -0.812 1.00 0.00 H new ATOM 0 HA GLN A 68 9.502 0.489 0.464 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.358 0.320 1.882 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.272 1.812 1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.216 1.789 -0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.555 1.661 1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.653 3.331 0.712 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.059 4.947 1.110 1.00 0.00 H new ATOM 1035 N ILE A 69 6.826 -0.281 -1.339 1.00 0.00 N ATOM 1036 CA ILE A 69 6.166 -1.454 -1.992 1.00 0.00 C ATOM 1037 C ILE A 69 7.224 -2.459 -2.468 1.00 0.00 C ATOM 1038 O ILE A 69 6.995 -3.653 -2.493 1.00 0.00 O ATOM 1039 CB ILE A 69 5.340 -0.948 -3.192 1.00 0.00 C ATOM 1040 CG1 ILE A 69 3.929 -0.590 -2.717 1.00 0.00 C ATOM 1041 CG2 ILE A 69 5.238 -2.029 -4.276 1.00 0.00 C ATOM 1042 CD1 ILE A 69 3.870 0.892 -2.342 1.00 0.00 C ATOM 0 H ILE A 69 6.400 0.624 -1.538 1.00 0.00 H new ATOM 0 HA ILE A 69 5.514 -1.956 -1.277 1.00 0.00 H new ATOM 0 HB ILE A 69 5.836 -0.072 -3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.205 -0.805 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.658 -1.203 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.651 -1.651 -5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.237 -2.292 -4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.753 -2.914 -3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.864 1.142 -2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.582 1.093 -1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.122 1.498 -3.212 1.00 0.00 H new ATOM 1054 N LYS A 70 8.377 -1.983 -2.858 1.00 0.00 N ATOM 1055 CA LYS A 70 9.441 -2.907 -3.344 1.00 0.00 C ATOM 1056 C LYS A 70 10.400 -3.243 -2.199 1.00 0.00 C ATOM 1057 O LYS A 70 10.465 -4.371 -1.752 1.00 0.00 O ATOM 1058 CB LYS A 70 10.211 -2.239 -4.483 1.00 0.00 C ATOM 1059 CG LYS A 70 10.937 -3.307 -5.299 1.00 0.00 C ATOM 1060 CD LYS A 70 11.989 -3.987 -4.423 1.00 0.00 C ATOM 1061 CE LYS A 70 12.998 -4.717 -5.309 1.00 0.00 C ATOM 1062 NZ LYS A 70 13.373 -6.011 -4.673 1.00 0.00 N ATOM 0 H LYS A 70 8.627 -0.994 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 70 8.983 -3.828 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.526 -1.681 -5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.928 -1.523 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.225 -4.044 -5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.410 -2.855 -6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.499 -3.246 -3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.510 -4.691 -3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.570 -4.895 -6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.885 -4.100 -5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.879 -6.603 -5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.989 -5.830 -3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.514 -6.505 -4.357 1.00 0.00 H new ATOM 1076 N GLN A 71 11.155 -2.275 -1.735 1.00 0.00 N ATOM 1077 CA GLN A 71 12.127 -2.529 -0.622 1.00 0.00 C ATOM 1078 C GLN A 71 11.543 -3.534 0.376 1.00 0.00 C ATOM 1079 O GLN A 71 12.253 -4.266 1.035 1.00 0.00 O ATOM 1080 CB GLN A 71 12.379 -1.214 0.120 1.00 0.00 C ATOM 1081 CG GLN A 71 13.850 -0.816 -0.016 1.00 0.00 C ATOM 1082 CD GLN A 71 13.994 0.687 0.223 1.00 0.00 C ATOM 1083 OE1 GLN A 71 14.904 1.311 -0.287 1.00 0.00 O ATOM 1084 NE2 GLN A 71 13.130 1.301 0.984 1.00 0.00 N ATOM 0 H GLN A 71 11.140 -1.315 -2.081 1.00 0.00 H new ATOM 0 HA GLN A 71 13.051 -2.927 -1.043 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.741 -0.429 -0.286 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.118 -1.324 1.173 1.00 0.00 H new ATOM 0 HG2 GLN A 71 14.456 -1.369 0.702 1.00 0.00 H new ATOM 0 HG3 GLN A 71 14.218 -1.074 -1.009 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.366 0.779 1.413 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.219 2.303 1.150 1.00 0.00 H new ATOM 1093 N ARG A 72 10.250 -3.534 0.505 1.00 0.00 N ATOM 1094 CA ARG A 72 9.569 -4.437 1.468 1.00 0.00 C ATOM 1095 C ARG A 72 9.247 -5.792 0.822 1.00 0.00 C ATOM 1096 O ARG A 72 10.052 -6.702 0.831 1.00 0.00 O ATOM 1097 CB ARG A 72 8.272 -3.753 1.908 1.00 0.00 C ATOM 1098 CG ARG A 72 8.609 -2.433 2.600 1.00 0.00 C ATOM 1099 CD ARG A 72 8.387 -2.570 4.104 1.00 0.00 C ATOM 1100 NE ARG A 72 9.517 -1.933 4.834 1.00 0.00 N ATOM 1101 CZ ARG A 72 9.400 -0.710 5.274 1.00 0.00 C ATOM 1102 NH1 ARG A 72 8.767 -0.477 6.392 1.00 0.00 N ATOM 1103 NH2 ARG A 72 9.910 0.281 4.596 1.00 0.00 N ATOM 0 H ARG A 72 9.622 -2.933 -0.028 1.00 0.00 H new ATOM 0 HA ARG A 72 10.222 -4.625 2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.632 -3.572 1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.717 -4.401 2.586 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.645 -2.160 2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.985 -1.633 2.202 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.446 -2.099 4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.312 -3.623 4.377 1.00 0.00 H new ATOM 0 HE ARG A 72 10.381 -2.452 4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.364 -1.251 6.921 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.675 0.479 6.736 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.401 0.101 3.720 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.818 1.236 4.941 1.00 0.00 H new ATOM 1117 N HIS A 73 8.067 -5.936 0.283 1.00 0.00 N ATOM 1118 CA HIS A 73 7.667 -7.227 -0.344 1.00 0.00 C ATOM 1119 C HIS A 73 8.725 -7.649 -1.376 1.00 0.00 C ATOM 1120 O HIS A 73 9.322 -6.811 -2.020 1.00 0.00 O ATOM 1121 CB HIS A 73 6.288 -7.035 -0.987 1.00 0.00 C ATOM 1122 CG HIS A 73 5.351 -6.467 0.048 1.00 0.00 C ATOM 1123 ND1 HIS A 73 5.740 -6.273 1.368 1.00 0.00 N ATOM 1124 CD2 HIS A 73 4.045 -6.039 -0.020 1.00 0.00 C ATOM 1125 CE1 HIS A 73 4.696 -5.746 2.026 1.00 0.00 C ATOM 1126 NE2 HIS A 73 3.639 -5.584 1.230 1.00 0.00 N ATOM 0 H HIS A 73 7.356 -5.206 0.250 1.00 0.00 H new ATOM 0 HA HIS A 73 7.603 -8.022 0.399 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.359 -6.363 -1.842 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.908 -7.986 -1.360 1.00 0.00 H new ATOM 0 HD1 HIS A 73 6.654 -6.492 1.765 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.430 -6.054 -0.908 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.710 -5.485 3.074 1.00 0.00 H new ATOM 1134 N PRO A 74 8.945 -8.946 -1.464 1.00 0.00 N ATOM 1135 CA PRO A 74 9.980 -9.454 -2.399 1.00 0.00 C ATOM 1136 C PRO A 74 10.048 -8.599 -3.667 1.00 0.00 C ATOM 1137 O PRO A 74 10.741 -7.601 -3.708 1.00 0.00 O ATOM 1138 CB PRO A 74 9.540 -10.884 -2.723 1.00 0.00 C ATOM 1139 CG PRO A 74 8.030 -10.946 -2.442 1.00 0.00 C ATOM 1140 CD PRO A 74 7.708 -9.766 -1.512 1.00 0.00 C ATOM 0 HA PRO A 74 10.979 -9.419 -1.963 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.752 -11.129 -3.764 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.080 -11.605 -2.109 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.460 -10.876 -3.369 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.762 -11.893 -1.974 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.867 -9.185 -1.892 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.430 -10.115 -0.517 1.00 0.00 H new ATOM 1148 N MET A 75 9.346 -8.970 -4.700 1.00 0.00 N ATOM 1149 CA MET A 75 9.399 -8.157 -5.947 1.00 0.00 C ATOM 1150 C MET A 75 8.454 -8.740 -6.998 1.00 0.00 C ATOM 1151 O MET A 75 8.809 -9.629 -7.745 1.00 0.00 O ATOM 1152 CB MET A 75 10.826 -8.157 -6.497 1.00 0.00 C ATOM 1153 CG MET A 75 11.503 -9.490 -6.175 1.00 0.00 C ATOM 1154 SD MET A 75 12.737 -9.856 -7.448 1.00 0.00 S ATOM 1155 CE MET A 75 13.196 -11.503 -6.853 1.00 0.00 C ATOM 0 H MET A 75 8.743 -9.792 -4.736 1.00 0.00 H new ATOM 0 HA MET A 75 9.092 -7.137 -5.716 1.00 0.00 H new ATOM 0 HB2 MET A 75 10.810 -7.997 -7.575 1.00 0.00 H new ATOM 0 HB3 MET A 75 11.394 -7.335 -6.061 1.00 0.00 H new ATOM 0 HG2 MET A 75 11.978 -9.443 -5.195 1.00 0.00 H new ATOM 0 HG3 MET A 75 10.761 -10.287 -6.132 1.00 0.00 H new ATOM 0 HE1 MET A 75 13.961 -11.925 -7.504 1.00 0.00 H new ATOM 0 HE2 MET A 75 13.585 -11.428 -5.838 1.00 0.00 H new ATOM 0 HE3 MET A 75 12.318 -12.149 -6.858 1.00 0.00 H new ATOM 1165 N LEU A 76 7.257 -8.233 -7.067 1.00 0.00 N ATOM 1166 CA LEU A 76 6.283 -8.734 -8.074 1.00 0.00 C ATOM 1167 C LEU A 76 5.780 -7.522 -8.889 1.00 0.00 C ATOM 1168 O LEU A 76 5.813 -6.412 -8.397 1.00 0.00 O ATOM 1169 CB LEU A 76 5.151 -9.465 -7.333 1.00 0.00 C ATOM 1170 CG LEU A 76 4.420 -8.499 -6.401 1.00 0.00 C ATOM 1171 CD1 LEU A 76 3.060 -8.126 -6.996 1.00 0.00 C ATOM 1172 CD2 LEU A 76 4.206 -9.183 -5.051 1.00 0.00 C ATOM 0 H LEU A 76 6.909 -7.487 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 76 6.731 -9.445 -8.768 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.450 -9.889 -8.052 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.560 -10.296 -6.759 1.00 0.00 H new ATOM 0 HG LEU A 76 5.015 -7.595 -6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.546 -7.437 -6.325 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.205 -7.648 -7.965 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.459 -9.026 -7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.685 -8.503 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.609 -10.084 -5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.171 -9.450 -4.621 1.00 0.00 H new ATOM 1184 N PRO A 77 5.399 -7.769 -10.130 1.00 0.00 N ATOM 1185 CA PRO A 77 4.975 -6.649 -11.015 1.00 0.00 C ATOM 1186 C PRO A 77 4.374 -5.482 -10.225 1.00 0.00 C ATOM 1187 O PRO A 77 3.575 -5.662 -9.329 1.00 0.00 O ATOM 1188 CB PRO A 77 3.929 -7.263 -11.945 1.00 0.00 C ATOM 1189 CG PRO A 77 3.376 -8.499 -11.220 1.00 0.00 C ATOM 1190 CD PRO A 77 4.373 -8.842 -10.105 1.00 0.00 C ATOM 0 HA PRO A 77 5.825 -6.228 -11.553 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.133 -6.550 -12.159 1.00 0.00 H new ATOM 0 HB3 PRO A 77 4.374 -7.540 -12.901 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.388 -8.295 -10.806 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.266 -9.335 -11.911 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.876 -8.884 -9.136 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.826 -9.819 -10.273 1.00 0.00 H new ATOM 1198 N VAL A 78 4.760 -4.282 -10.568 1.00 0.00 N ATOM 1199 CA VAL A 78 4.230 -3.080 -9.869 1.00 0.00 C ATOM 1200 C VAL A 78 4.048 -1.967 -10.903 1.00 0.00 C ATOM 1201 O VAL A 78 4.805 -1.865 -11.848 1.00 0.00 O ATOM 1202 CB VAL A 78 5.216 -2.610 -8.789 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.632 -2.899 -7.406 1.00 0.00 C ATOM 1204 CG2 VAL A 78 6.556 -3.342 -8.934 1.00 0.00 C ATOM 0 H VAL A 78 5.428 -4.083 -11.312 1.00 0.00 H new ATOM 0 HA VAL A 78 3.281 -3.324 -9.391 1.00 0.00 H new ATOM 0 HB VAL A 78 5.381 -1.539 -8.907 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.331 -2.566 -6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.687 -2.367 -7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.461 -3.970 -7.300 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.244 -2.998 -8.162 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.398 -4.415 -8.827 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.980 -3.134 -9.916 1.00 0.00 H new ATOM 1214 N ILE A 79 3.056 -1.136 -10.748 1.00 0.00 N ATOM 1215 CA ILE A 79 2.858 -0.048 -11.751 1.00 0.00 C ATOM 1216 C ILE A 79 2.361 1.226 -11.065 1.00 0.00 C ATOM 1217 O ILE A 79 1.657 1.182 -10.076 1.00 0.00 O ATOM 1218 CB ILE A 79 1.834 -0.497 -12.797 1.00 0.00 C ATOM 1219 CG1 ILE A 79 2.265 -1.843 -13.384 1.00 0.00 C ATOM 1220 CG2 ILE A 79 1.758 0.545 -13.916 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.248 -2.290 -14.436 1.00 0.00 C ATOM 0 H ILE A 79 2.382 -1.159 -9.983 1.00 0.00 H new ATOM 0 HA ILE A 79 3.812 0.162 -12.235 1.00 0.00 H new ATOM 0 HB ILE A 79 0.855 -0.600 -12.328 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.254 -1.756 -13.833 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.339 -2.590 -12.593 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.029 0.226 -14.661 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.454 1.505 -13.499 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.736 0.647 -14.386 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.555 -3.249 -14.854 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.267 -2.393 -13.973 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.197 -1.547 -15.232 1.00 0.00 H new ATOM 1233 N ILE A 80 2.724 2.363 -11.595 1.00 0.00 N ATOM 1234 CA ILE A 80 2.280 3.654 -10.997 1.00 0.00 C ATOM 1235 C ILE A 80 1.777 4.571 -12.113 1.00 0.00 C ATOM 1236 O ILE A 80 2.230 4.497 -13.238 1.00 0.00 O ATOM 1237 CB ILE A 80 3.459 4.327 -10.285 1.00 0.00 C ATOM 1238 CG1 ILE A 80 4.444 3.262 -9.794 1.00 0.00 C ATOM 1239 CG2 ILE A 80 2.944 5.129 -9.088 1.00 0.00 C ATOM 1240 CD1 ILE A 80 5.456 2.954 -10.901 1.00 0.00 C ATOM 0 H ILE A 80 3.313 2.453 -12.423 1.00 0.00 H new ATOM 0 HA ILE A 80 1.483 3.468 -10.277 1.00 0.00 H new ATOM 0 HB ILE A 80 3.965 4.994 -10.983 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.961 3.614 -8.901 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.907 2.355 -9.515 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.783 5.607 -8.582 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.246 5.892 -9.434 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.435 4.460 -8.394 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.157 2.196 -10.552 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.931 2.584 -11.782 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.001 3.862 -11.158 1.00 0.00 H new ATOM 1252 N MET A 81 0.846 5.438 -11.819 1.00 0.00 N ATOM 1253 CA MET A 81 0.326 6.353 -12.877 1.00 0.00 C ATOM 1254 C MET A 81 1.332 7.486 -13.110 1.00 0.00 C ATOM 1255 O MET A 81 2.224 7.710 -12.315 1.00 0.00 O ATOM 1256 CB MET A 81 -1.018 6.935 -12.437 1.00 0.00 C ATOM 1257 CG MET A 81 -2.152 6.172 -13.122 1.00 0.00 C ATOM 1258 SD MET A 81 -2.154 4.453 -12.554 1.00 0.00 S ATOM 1259 CE MET A 81 -3.935 4.317 -12.255 1.00 0.00 C ATOM 0 H MET A 81 0.424 5.553 -10.897 1.00 0.00 H new ATOM 0 HA MET A 81 0.188 5.797 -13.804 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.120 6.865 -11.354 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.070 7.993 -12.694 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.109 6.642 -12.896 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.027 6.208 -14.204 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.112 4.115 -11.199 1.00 0.00 H new ATOM 0 HE2 MET A 81 -4.423 5.251 -12.532 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.343 3.503 -12.854 1.00 0.00 H new ATOM 1269 N THR A 82 1.201 8.198 -14.198 1.00 0.00 N ATOM 1270 CA THR A 82 2.156 9.309 -14.486 1.00 0.00 C ATOM 1271 C THR A 82 1.598 10.630 -13.948 1.00 0.00 C ATOM 1272 O THR A 82 0.422 10.751 -13.669 1.00 0.00 O ATOM 1273 CB THR A 82 2.364 9.426 -15.998 1.00 0.00 C ATOM 1274 OG1 THR A 82 2.289 8.135 -16.585 1.00 0.00 O ATOM 1275 CG2 THR A 82 3.736 10.039 -16.284 1.00 0.00 C ATOM 0 H THR A 82 0.474 8.059 -14.900 1.00 0.00 H new ATOM 0 HA THR A 82 3.108 9.095 -14.000 1.00 0.00 H new ATOM 0 HB THR A 82 1.590 10.065 -16.422 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.324 8.217 -17.561 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.881 10.121 -17.361 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.793 11.030 -15.834 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.514 9.403 -15.861 1.00 0.00 H new ATOM 1283 N ALA A 83 2.439 11.621 -13.806 1.00 0.00 N ATOM 1284 CA ALA A 83 1.972 12.941 -13.290 1.00 0.00 C ATOM 1285 C ALA A 83 3.180 13.738 -12.789 1.00 0.00 C ATOM 1286 O ALA A 83 3.505 14.789 -13.304 1.00 0.00 O ATOM 1287 CB ALA A 83 0.994 12.722 -12.134 1.00 0.00 C ATOM 0 H ALA A 83 3.434 11.572 -14.026 1.00 0.00 H new ATOM 0 HA ALA A 83 1.471 13.490 -14.088 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.653 13.687 -11.758 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.138 12.147 -12.486 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.493 12.176 -11.333 1.00 0.00 H new ATOM 1293 N HIS A 84 3.848 13.234 -11.789 1.00 0.00 N ATOM 1294 CA HIS A 84 5.039 13.940 -11.239 1.00 0.00 C ATOM 1295 C HIS A 84 5.655 13.069 -10.145 1.00 0.00 C ATOM 1296 O HIS A 84 5.212 11.966 -9.904 1.00 0.00 O ATOM 1297 CB HIS A 84 4.619 15.289 -10.649 1.00 0.00 C ATOM 1298 CG HIS A 84 5.705 16.304 -10.890 1.00 0.00 C ATOM 1299 ND1 HIS A 84 5.957 16.832 -12.146 1.00 0.00 N ATOM 1300 CD2 HIS A 84 6.610 16.898 -10.045 1.00 0.00 C ATOM 1301 CE1 HIS A 84 6.976 17.702 -12.023 1.00 0.00 C ATOM 1302 NE2 HIS A 84 7.411 17.781 -10.762 1.00 0.00 N ATOM 0 H HIS A 84 3.618 12.355 -11.325 1.00 0.00 H new ATOM 0 HA HIS A 84 5.766 14.116 -12.032 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.687 15.623 -11.105 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.432 15.188 -9.580 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.688 16.708 -8.985 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.392 18.268 -12.844 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.167 18.363 -10.403 1.00 0.00 H new ATOM 1310 N SER A 85 6.671 13.540 -9.480 1.00 0.00 N ATOM 1311 CA SER A 85 7.293 12.710 -8.413 1.00 0.00 C ATOM 1312 C SER A 85 7.828 11.417 -9.047 1.00 0.00 C ATOM 1313 O SER A 85 8.616 11.470 -9.970 1.00 0.00 O ATOM 1314 CB SER A 85 6.242 12.389 -7.346 1.00 0.00 C ATOM 1315 OG SER A 85 6.871 11.776 -6.227 1.00 0.00 O ATOM 0 H SER A 85 7.095 14.456 -9.627 1.00 0.00 H new ATOM 0 HA SER A 85 8.116 13.247 -7.941 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.734 13.302 -7.035 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.482 11.725 -7.758 1.00 0.00 H new ATOM 0 HG SER A 85 6.276 11.825 -5.450 1.00 0.00 H new ATOM 1321 N ASP A 86 7.413 10.262 -8.568 1.00 0.00 N ATOM 1322 CA ASP A 86 7.905 8.970 -9.151 1.00 0.00 C ATOM 1323 C ASP A 86 9.376 9.108 -9.551 1.00 0.00 C ATOM 1324 O ASP A 86 10.250 8.918 -8.735 1.00 0.00 O ATOM 1325 CB ASP A 86 7.067 8.582 -10.379 1.00 0.00 C ATOM 1326 CG ASP A 86 6.342 9.807 -10.939 1.00 0.00 C ATOM 1327 OD1 ASP A 86 7.012 10.682 -11.461 1.00 0.00 O ATOM 1328 OD2 ASP A 86 5.126 9.846 -10.840 1.00 0.00 O ATOM 0 H ASP A 86 6.753 10.161 -7.797 1.00 0.00 H new ATOM 0 HA ASP A 86 7.807 8.188 -8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.711 8.151 -11.145 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.342 7.816 -10.105 1.00 0.00 H new ATOM 1333 N LEU A 87 9.631 9.452 -10.800 1.00 0.00 N ATOM 1334 CA LEU A 87 11.030 9.639 -11.320 1.00 0.00 C ATOM 1335 C LEU A 87 12.080 9.131 -10.324 1.00 0.00 C ATOM 1336 O LEU A 87 12.640 8.072 -10.487 1.00 0.00 O ATOM 1337 CB LEU A 87 11.262 11.128 -11.589 1.00 0.00 C ATOM 1338 CG LEU A 87 11.733 11.321 -13.032 1.00 0.00 C ATOM 1339 CD1 LEU A 87 12.998 10.494 -13.273 1.00 0.00 C ATOM 1340 CD2 LEU A 87 10.634 10.863 -13.993 1.00 0.00 C ATOM 0 H LEU A 87 8.905 9.615 -11.498 1.00 0.00 H new ATOM 0 HA LEU A 87 11.135 9.060 -12.237 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.342 11.687 -11.418 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.007 11.521 -10.897 1.00 0.00 H new ATOM 0 HG LEU A 87 11.951 12.375 -13.204 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.333 10.632 -14.301 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.782 10.820 -12.589 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.782 9.440 -13.100 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.969 11.000 -15.021 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.416 9.809 -13.820 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.733 11.453 -13.823 1.00 0.00 H new ATOM 1352 N ASP A 88 12.354 9.878 -9.294 1.00 0.00 N ATOM 1353 CA ASP A 88 13.367 9.423 -8.298 1.00 0.00 C ATOM 1354 C ASP A 88 13.015 8.014 -7.802 1.00 0.00 C ATOM 1355 O ASP A 88 13.747 7.069 -8.018 1.00 0.00 O ATOM 1356 CB ASP A 88 13.377 10.391 -7.113 1.00 0.00 C ATOM 1357 CG ASP A 88 14.631 10.157 -6.268 1.00 0.00 C ATOM 1358 OD1 ASP A 88 14.749 9.083 -5.703 1.00 0.00 O ATOM 1359 OD2 ASP A 88 15.451 11.058 -6.201 1.00 0.00 O ATOM 0 H ASP A 88 11.923 10.781 -9.097 1.00 0.00 H new ATOM 0 HA ASP A 88 14.351 9.402 -8.767 1.00 0.00 H new ATOM 0 HB2 ASP A 88 13.355 11.420 -7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 88 12.484 10.246 -6.505 1.00 0.00 H new ATOM 1364 N ALA A 89 11.906 7.872 -7.128 1.00 0.00 N ATOM 1365 CA ALA A 89 11.505 6.532 -6.602 1.00 0.00 C ATOM 1366 C ALA A 89 11.528 5.484 -7.723 1.00 0.00 C ATOM 1367 O ALA A 89 12.030 4.392 -7.550 1.00 0.00 O ATOM 1368 CB ALA A 89 10.090 6.622 -6.024 1.00 0.00 C ATOM 0 H ALA A 89 11.256 8.629 -6.917 1.00 0.00 H new ATOM 0 HA ALA A 89 12.210 6.232 -5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.792 5.647 -5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.073 7.353 -5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.396 6.931 -6.806 1.00 0.00 H new ATOM 1374 N ALA A 90 10.974 5.798 -8.865 1.00 0.00 N ATOM 1375 CA ALA A 90 10.952 4.805 -9.984 1.00 0.00 C ATOM 1376 C ALA A 90 12.370 4.551 -10.505 1.00 0.00 C ATOM 1377 O ALA A 90 12.945 3.506 -10.273 1.00 0.00 O ATOM 1378 CB ALA A 90 10.089 5.348 -11.125 1.00 0.00 C ATOM 0 H ALA A 90 10.537 6.696 -9.072 1.00 0.00 H new ATOM 0 HA ALA A 90 10.538 3.868 -9.613 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.071 4.627 -11.942 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.074 5.515 -10.766 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.507 6.290 -11.481 1.00 0.00 H new ATOM 1384 N VAL A 91 12.914 5.496 -11.229 1.00 0.00 N ATOM 1385 CA VAL A 91 14.287 5.349 -11.808 1.00 0.00 C ATOM 1386 C VAL A 91 15.186 4.501 -10.897 1.00 0.00 C ATOM 1387 O VAL A 91 16.057 3.795 -11.364 1.00 0.00 O ATOM 1388 CB VAL A 91 14.908 6.738 -11.979 1.00 0.00 C ATOM 1389 CG1 VAL A 91 16.381 6.596 -12.360 1.00 0.00 C ATOM 1390 CG2 VAL A 91 14.168 7.494 -13.086 1.00 0.00 C ATOM 0 H VAL A 91 12.456 6.381 -11.448 1.00 0.00 H new ATOM 0 HA VAL A 91 14.205 4.846 -12.772 1.00 0.00 H new ATOM 0 HB VAL A 91 14.826 7.289 -11.042 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.822 7.585 -12.482 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.910 6.057 -11.574 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.463 6.045 -13.297 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.609 8.483 -13.209 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.250 6.941 -14.022 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.117 7.597 -12.817 1.00 0.00 H new ATOM 1400 N SER A 92 14.994 4.559 -9.609 1.00 0.00 N ATOM 1401 CA SER A 92 15.852 3.745 -8.701 1.00 0.00 C ATOM 1402 C SER A 92 15.073 2.518 -8.221 1.00 0.00 C ATOM 1403 O SER A 92 13.860 2.476 -8.292 1.00 0.00 O ATOM 1404 CB SER A 92 16.272 4.588 -7.496 1.00 0.00 C ATOM 1405 OG SER A 92 16.881 3.748 -6.526 1.00 0.00 O ATOM 0 H SER A 92 14.286 5.130 -9.147 1.00 0.00 H new ATOM 0 HA SER A 92 16.741 3.421 -9.242 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.968 5.367 -7.807 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.404 5.088 -7.067 1.00 0.00 H new ATOM 0 HG SER A 92 17.153 4.285 -5.753 1.00 0.00 H new ATOM 1411 N ALA A 93 15.763 1.521 -7.734 1.00 0.00 N ATOM 1412 CA ALA A 93 15.070 0.292 -7.248 1.00 0.00 C ATOM 1413 C ALA A 93 14.684 -0.590 -8.439 1.00 0.00 C ATOM 1414 O ALA A 93 13.562 -0.567 -8.902 1.00 0.00 O ATOM 1415 CB ALA A 93 13.809 0.681 -6.473 1.00 0.00 C ATOM 0 H ALA A 93 16.780 1.505 -7.652 1.00 0.00 H new ATOM 0 HA ALA A 93 15.743 -0.260 -6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.306 -0.220 -6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.083 1.301 -5.620 1.00 0.00 H new ATOM 0 HB3 ALA A 93 13.138 1.239 -7.126 1.00 0.00 H new ATOM 1421 N TYR A 94 15.607 -1.369 -8.933 1.00 0.00 N ATOM 1422 CA TYR A 94 15.298 -2.257 -10.091 1.00 0.00 C ATOM 1423 C TYR A 94 14.462 -1.497 -11.121 1.00 0.00 C ATOM 1424 O TYR A 94 13.332 -1.850 -11.400 1.00 0.00 O ATOM 1425 CB TYR A 94 14.513 -3.475 -9.600 1.00 0.00 C ATOM 1426 CG TYR A 94 15.451 -4.438 -8.914 1.00 0.00 C ATOM 1427 CD1 TYR A 94 16.203 -5.342 -9.673 1.00 0.00 C ATOM 1428 CD2 TYR A 94 15.570 -4.427 -7.518 1.00 0.00 C ATOM 1429 CE1 TYR A 94 17.074 -6.235 -9.037 1.00 0.00 C ATOM 1430 CE2 TYR A 94 16.441 -5.320 -6.882 1.00 0.00 C ATOM 1431 CZ TYR A 94 17.193 -6.225 -7.642 1.00 0.00 C ATOM 1432 OH TYR A 94 18.050 -7.105 -7.017 1.00 0.00 O ATOM 0 H TYR A 94 16.564 -1.429 -8.584 1.00 0.00 H new ATOM 0 HA TYR A 94 16.230 -2.581 -10.554 1.00 0.00 H new ATOM 0 HB2 TYR A 94 13.729 -3.161 -8.911 1.00 0.00 H new ATOM 0 HB3 TYR A 94 14.021 -3.966 -10.440 1.00 0.00 H new ATOM 0 HD1 TYR A 94 16.111 -5.351 -10.749 1.00 0.00 H new ATOM 0 HD2 TYR A 94 14.990 -3.729 -6.932 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.655 -6.932 -9.623 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.533 -5.311 -5.806 1.00 0.00 H new ATOM 0 HH TYR A 94 18.013 -6.965 -6.048 1.00 0.00 H new ATOM 1442 N GLN A 95 15.005 -0.459 -11.697 1.00 0.00 N ATOM 1443 CA GLN A 95 14.238 0.313 -12.713 1.00 0.00 C ATOM 1444 C GLN A 95 14.069 -0.537 -13.974 1.00 0.00 C ATOM 1445 O GLN A 95 15.001 -1.160 -14.444 1.00 0.00 O ATOM 1446 CB GLN A 95 14.998 1.596 -13.058 1.00 0.00 C ATOM 1447 CG GLN A 95 16.477 1.272 -13.276 1.00 0.00 C ATOM 1448 CD GLN A 95 17.020 2.118 -14.430 1.00 0.00 C ATOM 1449 OE1 GLN A 95 17.215 1.623 -15.522 1.00 0.00 O ATOM 1450 NE2 GLN A 95 17.277 3.382 -14.231 1.00 0.00 N ATOM 0 H GLN A 95 15.946 -0.113 -11.507 1.00 0.00 H new ATOM 0 HA GLN A 95 13.257 0.570 -12.313 1.00 0.00 H new ATOM 0 HB2 GLN A 95 14.578 2.049 -13.956 1.00 0.00 H new ATOM 0 HB3 GLN A 95 14.889 2.323 -12.253 1.00 0.00 H new ATOM 0 HG2 GLN A 95 17.042 1.473 -12.366 1.00 0.00 H new ATOM 0 HG3 GLN A 95 16.599 0.212 -13.499 1.00 0.00 H new ATOM 0 HE21 GLN A 95 17.113 3.798 -13.314 1.00 0.00 H new ATOM 0 HE22 GLN A 95 17.642 3.954 -14.992 1.00 0.00 H new ATOM 1459 N GLN A 96 12.887 -0.571 -14.524 1.00 0.00 N ATOM 1460 CA GLN A 96 12.658 -1.384 -15.753 1.00 0.00 C ATOM 1461 C GLN A 96 12.564 -2.864 -15.371 1.00 0.00 C ATOM 1462 O GLN A 96 13.148 -3.302 -14.398 1.00 0.00 O ATOM 1463 CB GLN A 96 13.822 -1.178 -16.727 1.00 0.00 C ATOM 1464 CG GLN A 96 13.289 -1.144 -18.160 1.00 0.00 C ATOM 1465 CD GLN A 96 13.961 -0.005 -18.929 1.00 0.00 C ATOM 1466 OE1 GLN A 96 14.504 -0.213 -19.997 1.00 0.00 O ATOM 1467 NE2 GLN A 96 13.950 1.202 -18.430 1.00 0.00 N ATOM 0 H GLN A 96 12.069 -0.071 -14.176 1.00 0.00 H new ATOM 0 HA GLN A 96 11.729 -1.071 -16.230 1.00 0.00 H new ATOM 0 HB2 GLN A 96 14.341 -0.247 -16.499 1.00 0.00 H new ATOM 0 HB3 GLN A 96 14.549 -1.983 -16.617 1.00 0.00 H new ATOM 0 HG2 GLN A 96 13.485 -2.096 -18.654 1.00 0.00 H new ATOM 0 HG3 GLN A 96 12.208 -1.004 -18.154 1.00 0.00 H new ATOM 0 HE21 GLN A 96 13.495 1.379 -17.534 1.00 0.00 H new ATOM 0 HE22 GLN A 96 14.396 1.967 -18.936 1.00 0.00 H new ATOM 1476 N GLY A 97 11.831 -3.639 -16.124 1.00 0.00 N ATOM 1477 CA GLY A 97 11.697 -5.089 -15.796 1.00 0.00 C ATOM 1478 C GLY A 97 10.660 -5.255 -14.685 1.00 0.00 C ATOM 1479 O GLY A 97 10.967 -5.141 -13.515 1.00 0.00 O ATOM 0 H GLY A 97 11.319 -3.332 -16.951 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.393 -5.649 -16.681 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.658 -5.493 -15.477 1.00 0.00 H new ATOM 1483 N ALA A 98 9.432 -5.513 -15.041 1.00 0.00 N ATOM 1484 CA ALA A 98 8.375 -5.671 -14.003 1.00 0.00 C ATOM 1485 C ALA A 98 7.985 -4.289 -13.470 1.00 0.00 C ATOM 1486 O ALA A 98 7.206 -4.166 -12.545 1.00 0.00 O ATOM 1487 CB ALA A 98 8.910 -6.531 -12.855 1.00 0.00 C ATOM 0 H ALA A 98 9.115 -5.621 -16.004 1.00 0.00 H new ATOM 0 HA ALA A 98 7.501 -6.156 -14.439 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.136 -6.646 -12.096 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.193 -7.512 -13.237 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.782 -6.048 -12.414 1.00 0.00 H new ATOM 1493 N PHE A 99 8.523 -3.248 -14.048 1.00 0.00 N ATOM 1494 CA PHE A 99 8.188 -1.874 -13.581 1.00 0.00 C ATOM 1495 C PHE A 99 7.721 -1.035 -14.773 1.00 0.00 C ATOM 1496 O PHE A 99 8.487 -0.729 -15.665 1.00 0.00 O ATOM 1497 CB PHE A 99 9.433 -1.232 -12.964 1.00 0.00 C ATOM 1498 CG PHE A 99 9.247 -1.088 -11.471 1.00 0.00 C ATOM 1499 CD1 PHE A 99 8.015 -0.671 -10.956 1.00 0.00 C ATOM 1500 CD2 PHE A 99 10.310 -1.373 -10.604 1.00 0.00 C ATOM 1501 CE1 PHE A 99 7.844 -0.536 -9.573 1.00 0.00 C ATOM 1502 CE2 PHE A 99 10.138 -1.239 -9.221 1.00 0.00 C ATOM 1503 CZ PHE A 99 8.905 -0.821 -8.706 1.00 0.00 C ATOM 0 H PHE A 99 9.182 -3.292 -14.826 1.00 0.00 H new ATOM 0 HA PHE A 99 7.395 -1.923 -12.835 1.00 0.00 H new ATOM 0 HB2 PHE A 99 10.311 -1.844 -13.173 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.611 -0.255 -13.414 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.196 -0.453 -11.625 1.00 0.00 H new ATOM 0 HD2 PHE A 99 11.261 -1.696 -11.002 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.894 -0.212 -9.175 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.957 -1.458 -8.551 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.773 -0.718 -7.639 1.00 0.00 H new ATOM 1513 N ASP A 100 6.470 -0.664 -14.800 1.00 0.00 N ATOM 1514 CA ASP A 100 5.956 0.151 -15.939 1.00 0.00 C ATOM 1515 C ASP A 100 5.315 1.434 -15.406 1.00 0.00 C ATOM 1516 O ASP A 100 5.068 1.574 -14.225 1.00 0.00 O ATOM 1517 CB ASP A 100 4.910 -0.655 -16.708 1.00 0.00 C ATOM 1518 CG ASP A 100 5.027 -0.357 -18.203 1.00 0.00 C ATOM 1519 OD1 ASP A 100 6.135 -0.116 -18.653 1.00 0.00 O ATOM 1520 OD2 ASP A 100 4.007 -0.374 -18.872 1.00 0.00 O ATOM 0 H ASP A 100 5.781 -0.890 -14.083 1.00 0.00 H new ATOM 0 HA ASP A 100 6.783 0.407 -16.602 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.053 -1.720 -16.527 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.910 -0.403 -16.354 1.00 0.00 H new ATOM 1525 N TYR A 101 5.040 2.372 -16.273 1.00 0.00 N ATOM 1526 CA TYR A 101 4.410 3.644 -15.823 1.00 0.00 C ATOM 1527 C TYR A 101 3.104 3.853 -16.591 1.00 0.00 C ATOM 1528 O TYR A 101 3.105 4.197 -17.756 1.00 0.00 O ATOM 1529 CB TYR A 101 5.362 4.810 -16.100 1.00 0.00 C ATOM 1530 CG TYR A 101 6.745 4.450 -15.610 1.00 0.00 C ATOM 1531 CD1 TYR A 101 6.949 4.140 -14.261 1.00 0.00 C ATOM 1532 CD2 TYR A 101 7.820 4.422 -16.506 1.00 0.00 C ATOM 1533 CE1 TYR A 101 8.229 3.803 -13.806 1.00 0.00 C ATOM 1534 CE2 TYR A 101 9.100 4.084 -16.051 1.00 0.00 C ATOM 1535 CZ TYR A 101 9.305 3.775 -14.701 1.00 0.00 C ATOM 1536 OH TYR A 101 10.567 3.442 -14.253 1.00 0.00 O ATOM 0 H TYR A 101 5.225 2.311 -17.274 1.00 0.00 H new ATOM 0 HA TYR A 101 4.203 3.596 -14.754 1.00 0.00 H new ATOM 0 HB2 TYR A 101 5.387 5.029 -17.168 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.008 5.711 -15.598 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.119 4.161 -13.571 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.662 4.661 -17.547 1.00 0.00 H new ATOM 0 HE1 TYR A 101 8.387 3.565 -12.764 1.00 0.00 H new ATOM 0 HE2 TYR A 101 9.930 4.062 -16.742 1.00 0.00 H new ATOM 0 HH TYR A 101 11.198 3.469 -15.002 1.00 0.00 H new ATOM 1546 N LEU A 102 1.989 3.639 -15.950 1.00 0.00 N ATOM 1547 CA LEU A 102 0.684 3.812 -16.645 1.00 0.00 C ATOM 1548 C LEU A 102 0.391 5.302 -16.848 1.00 0.00 C ATOM 1549 O LEU A 102 0.374 6.066 -15.903 1.00 0.00 O ATOM 1550 CB LEU A 102 -0.430 3.190 -15.799 1.00 0.00 C ATOM 1551 CG LEU A 102 -1.298 2.293 -16.680 1.00 0.00 C ATOM 1552 CD1 LEU A 102 -0.581 0.962 -16.912 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -2.635 2.037 -15.983 1.00 0.00 C ATOM 0 H LEU A 102 1.926 3.351 -14.973 1.00 0.00 H new ATOM 0 HA LEU A 102 0.730 3.319 -17.616 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.000 2.610 -14.982 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.039 3.973 -15.347 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.475 2.783 -17.638 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.199 0.321 -17.540 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.373 1.144 -17.407 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.406 0.471 -15.955 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.256 1.397 -16.610 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.458 1.546 -15.026 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.145 2.985 -15.815 1.00 0.00 H new ATOM 1565 N PRO A 103 0.157 5.658 -18.083 1.00 0.00 N ATOM 1566 CA PRO A 103 -0.149 7.075 -18.379 1.00 0.00 C ATOM 1567 C PRO A 103 -1.663 7.299 -18.324 1.00 0.00 C ATOM 1568 O PRO A 103 -2.432 6.364 -18.216 1.00 0.00 O ATOM 1569 CB PRO A 103 0.379 7.294 -19.797 1.00 0.00 C ATOM 1570 CG PRO A 103 0.431 5.903 -20.454 1.00 0.00 C ATOM 1571 CD PRO A 103 0.456 4.879 -19.309 1.00 0.00 C ATOM 0 HA PRO A 103 0.301 7.765 -17.665 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -0.273 7.965 -20.356 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.367 7.753 -19.778 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -0.435 5.745 -21.096 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.316 5.804 -21.082 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.284 4.094 -19.467 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.428 4.391 -19.238 1.00 0.00 H new ATOM 1579 N LYS A 104 -2.100 8.526 -18.395 1.00 0.00 N ATOM 1580 CA LYS A 104 -3.565 8.791 -18.342 1.00 0.00 C ATOM 1581 C LYS A 104 -4.024 9.436 -19.661 1.00 0.00 C ATOM 1582 O LYS A 104 -3.289 10.197 -20.258 1.00 0.00 O ATOM 1583 CB LYS A 104 -3.869 9.737 -17.175 1.00 0.00 C ATOM 1584 CG LYS A 104 -3.445 11.162 -17.542 1.00 0.00 C ATOM 1585 CD LYS A 104 -3.728 12.099 -16.367 1.00 0.00 C ATOM 1586 CE LYS A 104 -4.183 13.460 -16.898 1.00 0.00 C ATOM 1587 NZ LYS A 104 -3.718 14.533 -15.975 1.00 0.00 N ATOM 0 H LYS A 104 -1.510 9.353 -18.487 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.098 7.851 -18.198 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.934 9.713 -16.942 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.340 9.409 -16.281 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.384 11.184 -17.791 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.987 11.497 -18.426 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.498 11.672 -15.724 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.832 12.216 -15.757 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.781 13.626 -17.897 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.269 13.484 -16.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.027 15.459 -16.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.122 14.377 -15.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.680 14.514 -15.915 1.00 0.00 H new ATOM 1601 N PRO A 105 -5.232 9.116 -20.078 1.00 0.00 N ATOM 1602 CA PRO A 105 -6.071 8.180 -19.296 1.00 0.00 C ATOM 1603 C PRO A 105 -5.682 6.734 -19.613 1.00 0.00 C ATOM 1604 O PRO A 105 -4.968 6.467 -20.560 1.00 0.00 O ATOM 1605 CB PRO A 105 -7.501 8.473 -19.752 1.00 0.00 C ATOM 1606 CG PRO A 105 -7.388 9.130 -21.140 1.00 0.00 C ATOM 1607 CD PRO A 105 -5.948 9.663 -21.257 1.00 0.00 C ATOM 0 HA PRO A 105 -5.952 8.306 -18.220 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.088 7.556 -19.803 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.005 9.136 -19.048 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.600 8.408 -21.929 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.111 9.939 -21.246 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.482 9.337 -22.187 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.931 10.753 -21.257 1.00 0.00 H new ATOM 1615 N PHE A 106 -6.139 5.803 -18.826 1.00 0.00 N ATOM 1616 CA PHE A 106 -5.791 4.377 -19.076 1.00 0.00 C ATOM 1617 C PHE A 106 -7.042 3.512 -18.903 1.00 0.00 C ATOM 1618 O PHE A 106 -7.843 3.738 -18.016 1.00 0.00 O ATOM 1619 CB PHE A 106 -4.724 3.934 -18.075 1.00 0.00 C ATOM 1620 CG PHE A 106 -5.240 4.141 -16.671 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -5.155 5.404 -16.072 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -5.804 3.070 -15.968 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -5.633 5.595 -14.770 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -6.283 3.262 -14.667 1.00 0.00 C ATOM 1625 CZ PHE A 106 -6.198 4.524 -14.068 1.00 0.00 C ATOM 0 H PHE A 106 -6.740 5.968 -18.018 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.408 4.266 -20.091 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.475 2.885 -18.232 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -3.808 4.505 -18.226 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.721 6.231 -16.614 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.870 2.096 -16.429 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.566 6.569 -14.307 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.719 2.436 -14.125 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.568 4.671 -13.064 1.00 0.00 H new ATOM 1635 N ASP A 107 -7.219 2.522 -19.735 1.00 0.00 N ATOM 1636 CA ASP A 107 -8.416 1.652 -19.604 1.00 0.00 C ATOM 1637 C ASP A 107 -8.246 0.762 -18.372 1.00 0.00 C ATOM 1638 O ASP A 107 -7.279 0.037 -18.246 1.00 0.00 O ATOM 1639 CB ASP A 107 -8.540 0.787 -20.856 1.00 0.00 C ATOM 1640 CG ASP A 107 -10.005 0.406 -21.076 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -10.763 0.468 -20.123 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -10.343 0.057 -22.196 1.00 0.00 O ATOM 0 H ASP A 107 -6.586 2.280 -20.498 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.315 2.258 -19.494 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -8.161 1.328 -21.723 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -7.932 -0.112 -20.751 1.00 0.00 H new ATOM 1647 N ILE A 108 -9.169 0.823 -17.454 1.00 0.00 N ATOM 1648 CA ILE A 108 -9.053 -0.006 -16.222 1.00 0.00 C ATOM 1649 C ILE A 108 -9.047 -1.489 -16.585 1.00 0.00 C ATOM 1650 O ILE A 108 -8.459 -2.297 -15.898 1.00 0.00 O ATOM 1651 CB ILE A 108 -10.236 0.286 -15.302 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -10.080 -0.516 -14.008 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -11.535 -0.115 -16.003 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -9.362 0.338 -12.961 1.00 0.00 C ATOM 0 H ILE A 108 -10.000 1.412 -17.503 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.120 0.240 -15.714 1.00 0.00 H new ATOM 0 HB ILE A 108 -10.266 1.350 -15.068 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.058 -0.820 -13.636 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.514 -1.428 -14.199 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.381 0.093 -15.348 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.642 0.456 -16.926 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -11.509 -1.180 -16.236 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.251 -0.233 -12.039 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.377 0.620 -13.334 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.945 1.237 -12.762 1.00 0.00 H new ATOM 1666 N ASP A 109 -9.691 -1.860 -17.653 1.00 0.00 N ATOM 1667 CA ASP A 109 -9.700 -3.291 -18.037 1.00 0.00 C ATOM 1668 C ASP A 109 -8.395 -3.608 -18.749 1.00 0.00 C ATOM 1669 O ASP A 109 -7.711 -4.555 -18.429 1.00 0.00 O ATOM 1670 CB ASP A 109 -10.872 -3.544 -18.978 1.00 0.00 C ATOM 1671 CG ASP A 109 -11.083 -5.050 -19.149 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -10.103 -5.774 -19.106 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -12.222 -5.454 -19.322 1.00 0.00 O ATOM 0 H ASP A 109 -10.208 -1.236 -18.272 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.802 -3.922 -17.154 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.776 -3.084 -18.580 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.679 -3.082 -19.946 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.035 -2.810 -19.707 1.00 0.00 N ATOM 1679 CA GLU A 110 -6.761 -3.056 -20.425 1.00 0.00 C ATOM 1680 C GLU A 110 -5.643 -3.187 -19.391 1.00 0.00 C ATOM 1681 O GLU A 110 -4.688 -3.913 -19.580 1.00 0.00 O ATOM 1682 CB GLU A 110 -6.479 -1.873 -21.351 1.00 0.00 C ATOM 1683 CG GLU A 110 -5.175 -2.104 -22.117 1.00 0.00 C ATOM 1684 CD GLU A 110 -5.133 -3.538 -22.651 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -6.135 -3.978 -23.191 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -4.100 -4.171 -22.512 1.00 0.00 O ATOM 0 H GLU A 110 -8.566 -1.999 -20.024 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.822 -3.969 -21.018 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.304 -1.745 -22.052 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.410 -0.954 -20.769 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.098 -1.397 -22.943 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.322 -1.925 -21.463 1.00 0.00 H new ATOM 1693 N ALA A 111 -5.761 -2.492 -18.288 1.00 0.00 N ATOM 1694 CA ALA A 111 -4.724 -2.578 -17.240 1.00 0.00 C ATOM 1695 C ALA A 111 -4.924 -3.866 -16.439 1.00 0.00 C ATOM 1696 O ALA A 111 -4.126 -4.777 -16.507 1.00 0.00 O ATOM 1697 CB ALA A 111 -4.882 -1.374 -16.322 1.00 0.00 C ATOM 0 H ALA A 111 -6.539 -1.868 -18.076 1.00 0.00 H new ATOM 0 HA ALA A 111 -3.728 -2.586 -17.683 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.127 -1.413 -15.537 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.758 -0.458 -16.899 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -5.874 -1.388 -15.871 1.00 0.00 H new ATOM 1703 N VAL A 112 -5.976 -3.929 -15.666 1.00 0.00 N ATOM 1704 CA VAL A 112 -6.249 -5.135 -14.833 1.00 0.00 C ATOM 1705 C VAL A 112 -5.810 -6.405 -15.580 1.00 0.00 C ATOM 1706 O VAL A 112 -5.046 -7.203 -15.079 1.00 0.00 O ATOM 1707 CB VAL A 112 -7.762 -5.161 -14.526 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -8.408 -6.498 -14.915 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -7.966 -4.927 -13.031 1.00 0.00 C ATOM 0 H VAL A 112 -6.667 -3.184 -15.576 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.685 -5.098 -13.901 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.238 -4.377 -15.115 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.472 -6.470 -14.681 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.276 -6.669 -15.983 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.935 -7.306 -14.357 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -9.032 -4.943 -12.802 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -7.462 -5.712 -12.468 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -7.550 -3.958 -12.754 1.00 0.00 H new ATOM 1719 N ALA A 113 -6.308 -6.592 -16.770 1.00 0.00 N ATOM 1720 CA ALA A 113 -5.950 -7.801 -17.565 1.00 0.00 C ATOM 1721 C ALA A 113 -4.457 -7.786 -17.907 1.00 0.00 C ATOM 1722 O ALA A 113 -3.711 -8.639 -17.470 1.00 0.00 O ATOM 1723 CB ALA A 113 -6.764 -7.803 -18.861 1.00 0.00 C ATOM 0 H ALA A 113 -6.955 -5.952 -17.231 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.171 -8.694 -16.980 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.509 -8.684 -19.450 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -7.827 -7.821 -18.623 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.536 -6.905 -19.435 1.00 0.00 H new ATOM 1729 N LEU A 114 -4.027 -6.835 -18.700 1.00 0.00 N ATOM 1730 CA LEU A 114 -2.593 -6.755 -19.099 1.00 0.00 C ATOM 1731 C LEU A 114 -1.698 -7.245 -17.961 1.00 0.00 C ATOM 1732 O LEU A 114 -0.974 -8.212 -18.096 1.00 0.00 O ATOM 1733 CB LEU A 114 -2.269 -5.296 -19.419 1.00 0.00 C ATOM 1734 CG LEU A 114 -0.755 -5.100 -19.594 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -0.085 -4.979 -18.222 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -0.156 -6.291 -20.348 1.00 0.00 C ATOM 0 H LEU A 114 -4.619 -6.103 -19.091 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.414 -7.385 -19.970 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.787 -4.995 -20.329 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.633 -4.653 -18.617 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.582 -4.188 -20.165 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.988 -4.840 -18.352 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.500 -4.123 -17.689 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.266 -5.887 -17.647 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.917 -6.143 -20.467 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.336 -7.206 -19.784 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.623 -6.372 -21.330 1.00 0.00 H new ATOM 1748 N VAL A 115 -1.747 -6.588 -16.840 1.00 0.00 N ATOM 1749 CA VAL A 115 -0.915 -7.006 -15.691 1.00 0.00 C ATOM 1750 C VAL A 115 -1.219 -8.463 -15.343 1.00 0.00 C ATOM 1751 O VAL A 115 -0.322 -9.274 -15.223 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.251 -6.112 -14.501 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -0.450 -6.565 -13.291 1.00 0.00 C ATOM 1754 CG2 VAL A 115 -0.890 -4.665 -14.833 1.00 0.00 C ATOM 0 H VAL A 115 -2.335 -5.772 -16.672 1.00 0.00 H new ATOM 0 HA VAL A 115 0.142 -6.915 -15.939 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.317 -6.180 -14.283 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.687 -5.929 -12.439 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -0.702 -7.598 -13.054 1.00 0.00 H new ATOM 0 HG13 VAL A 115 0.615 -6.493 -13.512 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.130 -4.026 -13.983 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.176 -4.596 -15.049 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.458 -4.339 -15.704 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.475 -8.790 -15.159 1.00 0.00 N ATOM 1765 CA GLU A 116 -2.852 -10.190 -14.796 1.00 0.00 C ATOM 1766 C GLU A 116 -1.926 -11.186 -15.497 1.00 0.00 C ATOM 1767 O GLU A 116 -1.440 -12.125 -14.899 1.00 0.00 O ATOM 1768 CB GLU A 116 -4.296 -10.451 -15.234 1.00 0.00 C ATOM 1769 CG GLU A 116 -4.633 -11.926 -15.023 1.00 0.00 C ATOM 1770 CD GLU A 116 -4.184 -12.361 -13.626 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -4.349 -11.582 -12.703 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -3.683 -13.467 -13.505 1.00 0.00 O ATOM 0 H GLU A 116 -3.259 -8.143 -15.245 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.759 -10.316 -13.717 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.980 -9.825 -14.661 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.423 -10.184 -16.283 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.705 -12.084 -15.137 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.139 -12.534 -15.781 1.00 0.00 H new ATOM 1779 N ARG A 117 -1.673 -10.985 -16.764 1.00 0.00 N ATOM 1780 CA ARG A 117 -0.775 -11.917 -17.501 1.00 0.00 C ATOM 1781 C ARG A 117 0.537 -12.056 -16.735 1.00 0.00 C ATOM 1782 O ARG A 117 0.948 -13.143 -16.379 1.00 0.00 O ATOM 1783 CB ARG A 117 -0.493 -11.361 -18.900 1.00 0.00 C ATOM 1784 CG ARG A 117 -1.378 -12.072 -19.923 1.00 0.00 C ATOM 1785 CD ARG A 117 -1.048 -11.565 -21.328 1.00 0.00 C ATOM 1786 NE ARG A 117 -0.470 -12.677 -22.135 1.00 0.00 N ATOM 1787 CZ ARG A 117 0.262 -12.413 -23.184 1.00 0.00 C ATOM 1788 NH1 ARG A 117 1.176 -11.482 -23.124 1.00 0.00 N ATOM 1789 NH2 ARG A 117 0.084 -13.080 -24.291 1.00 0.00 N ATOM 0 H ARG A 117 -2.050 -10.216 -17.318 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.254 -12.892 -17.592 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.685 -10.288 -18.921 1.00 0.00 H new ATOM 0 HB3 ARG A 117 0.558 -11.502 -19.153 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -1.221 -13.149 -19.868 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.429 -11.891 -19.698 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -1.948 -11.182 -21.809 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.341 -10.737 -21.271 1.00 0.00 H new ATOM 0 HE ARG A 117 -0.646 -13.645 -21.868 1.00 0.00 H new ATOM 0 HH11 ARG A 117 1.318 -10.962 -22.258 1.00 0.00 H new ATOM 0 HH12 ARG A 117 1.748 -11.275 -23.943 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -0.628 -13.809 -24.338 1.00 0.00 H new ATOM 0 HH22 ARG A 117 0.657 -12.872 -25.109 1.00 0.00 H new ATOM 1803 N ALA A 118 1.197 -10.964 -16.471 1.00 0.00 N ATOM 1804 CA ALA A 118 2.476 -11.042 -15.719 1.00 0.00 C ATOM 1805 C ALA A 118 2.257 -11.885 -14.462 1.00 0.00 C ATOM 1806 O ALA A 118 2.917 -12.883 -14.253 1.00 0.00 O ATOM 1807 CB ALA A 118 2.924 -9.633 -15.322 1.00 0.00 C ATOM 0 H ALA A 118 0.906 -10.025 -16.743 1.00 0.00 H new ATOM 0 HA ALA A 118 3.246 -11.498 -16.341 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.862 -9.691 -14.770 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.067 -9.031 -16.219 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.162 -9.172 -14.694 1.00 0.00 H new ATOM 1813 N ILE A 119 1.340 -11.478 -13.622 1.00 0.00 N ATOM 1814 CA ILE A 119 1.063 -12.224 -12.374 1.00 0.00 C ATOM 1815 C ILE A 119 1.174 -13.729 -12.627 1.00 0.00 C ATOM 1816 O ILE A 119 1.651 -14.466 -11.788 1.00 0.00 O ATOM 1817 CB ILE A 119 -0.361 -11.891 -11.950 1.00 0.00 C ATOM 1818 CG1 ILE A 119 -0.706 -10.444 -12.336 1.00 0.00 C ATOM 1819 CG2 ILE A 119 -0.499 -12.062 -10.435 1.00 0.00 C ATOM 1820 CD1 ILE A 119 0.394 -9.489 -11.872 1.00 0.00 C ATOM 0 H ILE A 119 0.766 -10.646 -13.757 1.00 0.00 H new ATOM 0 HA ILE A 119 1.779 -11.947 -11.600 1.00 0.00 H new ATOM 0 HB ILE A 119 -1.048 -12.567 -12.459 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.829 -10.369 -13.416 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -1.657 -10.158 -11.887 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.519 -11.823 -10.133 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -0.272 -13.093 -10.163 1.00 0.00 H new ATOM 0 HG23 ILE A 119 0.196 -11.392 -9.928 1.00 0.00 H new ATOM 0 HD11 ILE A 119 0.133 -8.469 -12.154 1.00 0.00 H new ATOM 0 HD12 ILE A 119 0.497 -9.551 -10.789 1.00 0.00 H new ATOM 0 HD13 ILE A 119 1.338 -9.765 -12.342 1.00 0.00 H new ATOM 1832 N SER A 120 0.720 -14.170 -13.783 1.00 0.00 N ATOM 1833 CA SER A 120 0.765 -15.627 -14.154 1.00 0.00 C ATOM 1834 C SER A 120 1.794 -16.376 -13.305 1.00 0.00 C ATOM 1835 O SER A 120 1.451 -17.211 -12.494 1.00 0.00 O ATOM 1836 CB SER A 120 1.150 -15.752 -15.628 1.00 0.00 C ATOM 1837 OG SER A 120 1.611 -17.071 -15.883 1.00 0.00 O ATOM 0 H SER A 120 0.312 -13.568 -14.499 1.00 0.00 H new ATOM 0 HA SER A 120 -0.218 -16.063 -13.975 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.291 -15.526 -16.260 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.927 -15.029 -15.875 1.00 0.00 H new ATOM 0 HG SER A 120 1.270 -17.375 -16.750 1.00 0.00 H new ATOM 1843 N HIS A 121 3.048 -16.072 -13.486 1.00 0.00 N ATOM 1844 CA HIS A 121 4.120 -16.747 -12.700 1.00 0.00 C ATOM 1845 C HIS A 121 5.442 -16.571 -13.444 1.00 0.00 C ATOM 1846 O HIS A 121 5.960 -17.502 -14.029 1.00 0.00 O ATOM 1847 CB HIS A 121 3.808 -18.242 -12.554 1.00 0.00 C ATOM 1848 CG HIS A 121 5.030 -18.970 -12.062 1.00 0.00 C ATOM 1849 ND1 HIS A 121 5.854 -19.692 -12.910 1.00 0.00 N ATOM 1850 CD2 HIS A 121 5.577 -19.099 -10.809 1.00 0.00 C ATOM 1851 CE1 HIS A 121 6.842 -20.220 -12.165 1.00 0.00 C ATOM 1852 NE2 HIS A 121 6.721 -19.888 -10.876 1.00 0.00 N ATOM 0 H HIS A 121 3.381 -15.376 -14.153 1.00 0.00 H new ATOM 0 HA HIS A 121 4.181 -16.307 -11.705 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.983 -18.385 -11.857 1.00 0.00 H new ATOM 0 HB3 HIS A 121 3.490 -18.652 -13.512 1.00 0.00 H new ATOM 0 HD2 HIS A 121 5.179 -18.655 -9.908 1.00 0.00 H new ATOM 0 HE1 HIS A 121 7.636 -20.837 -12.560 1.00 0.00 H new ATOM 0 HE2 HIS A 121 7.335 -20.156 -10.107 1.00 0.00 H new ATOM 1860 N TYR A 122 5.993 -15.383 -13.418 1.00 0.00 N ATOM 1861 CA TYR A 122 7.274 -15.123 -14.111 1.00 0.00 C ATOM 1862 C TYR A 122 7.306 -15.896 -15.432 1.00 0.00 C ATOM 1863 O TYR A 122 8.347 -16.305 -15.908 1.00 0.00 O ATOM 1864 CB TYR A 122 8.408 -15.560 -13.197 1.00 0.00 C ATOM 1865 CG TYR A 122 8.020 -15.312 -11.757 1.00 0.00 C ATOM 1866 CD1 TYR A 122 7.624 -14.031 -11.348 1.00 0.00 C ATOM 1867 CD2 TYR A 122 8.052 -16.362 -10.833 1.00 0.00 C ATOM 1868 CE1 TYR A 122 7.265 -13.803 -10.015 1.00 0.00 C ATOM 1869 CE2 TYR A 122 7.693 -16.134 -9.500 1.00 0.00 C ATOM 1870 CZ TYR A 122 7.299 -14.855 -9.091 1.00 0.00 C ATOM 1871 OH TYR A 122 6.943 -14.631 -7.776 1.00 0.00 O ATOM 0 H TYR A 122 5.597 -14.576 -12.936 1.00 0.00 H new ATOM 0 HA TYR A 122 7.383 -14.062 -14.337 1.00 0.00 H new ATOM 0 HB2 TYR A 122 8.625 -16.617 -13.349 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.317 -15.010 -13.440 1.00 0.00 H new ATOM 0 HD1 TYR A 122 7.596 -13.221 -12.061 1.00 0.00 H new ATOM 0 HD2 TYR A 122 8.354 -17.350 -11.149 1.00 0.00 H new ATOM 0 HE1 TYR A 122 6.962 -12.816 -9.699 1.00 0.00 H new ATOM 0 HE2 TYR A 122 7.720 -16.945 -8.787 1.00 0.00 H new ATOM 0 HH TYR A 122 7.021 -15.466 -7.269 1.00 0.00 H new ATOM 1881 N GLN A 123 6.156 -16.093 -16.021 1.00 0.00 N ATOM 1882 CA GLN A 123 6.078 -16.834 -17.309 1.00 0.00 C ATOM 1883 C GLN A 123 7.094 -16.259 -18.298 1.00 0.00 C ATOM 1884 O GLN A 123 7.535 -16.932 -19.209 1.00 0.00 O ATOM 1885 CB GLN A 123 4.664 -16.692 -17.876 1.00 0.00 C ATOM 1886 CG GLN A 123 4.091 -18.080 -18.158 1.00 0.00 C ATOM 1887 CD GLN A 123 4.104 -18.341 -19.665 1.00 0.00 C ATOM 1888 OE1 GLN A 123 3.088 -18.227 -20.322 1.00 0.00 O ATOM 1889 NE2 GLN A 123 5.221 -18.686 -20.245 1.00 0.00 N ATOM 0 H GLN A 123 5.260 -15.768 -15.659 1.00 0.00 H new ATOM 0 HA GLN A 123 6.304 -17.887 -17.144 1.00 0.00 H new ATOM 0 HB2 GLN A 123 4.028 -16.160 -17.168 1.00 0.00 H new ATOM 0 HB3 GLN A 123 4.685 -16.102 -18.792 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.678 -18.839 -17.642 1.00 0.00 H new ATOM 0 HG3 GLN A 123 3.073 -18.149 -17.775 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.074 -18.782 -19.693 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.241 -18.860 -21.250 1.00 0.00 H new ATOM 1898 N GLU A 124 7.472 -15.023 -18.126 1.00 0.00 N ATOM 1899 CA GLU A 124 8.462 -14.411 -19.057 1.00 0.00 C ATOM 1900 C GLU A 124 9.416 -13.515 -18.265 1.00 0.00 C ATOM 1901 O GLU A 124 8.955 -12.863 -17.342 1.00 0.00 O ATOM 1902 CB GLU A 124 7.728 -13.574 -20.109 1.00 0.00 C ATOM 1903 CG GLU A 124 6.890 -12.496 -19.417 1.00 0.00 C ATOM 1904 CD GLU A 124 6.181 -11.642 -20.471 1.00 0.00 C ATOM 1905 OE1 GLU A 124 5.837 -12.183 -21.508 1.00 0.00 O ATOM 1906 OE2 GLU A 124 5.998 -10.462 -20.223 1.00 0.00 O ATOM 1907 OXT GLU A 124 10.590 -13.498 -18.594 1.00 0.00 O ATOM 0 H GLU A 124 7.139 -14.410 -17.382 1.00 0.00 H new ATOM 0 HA GLU A 124 9.029 -15.198 -19.554 1.00 0.00 H new ATOM 0 HB2 GLU A 124 8.446 -13.111 -20.786 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.086 -14.214 -20.714 1.00 0.00 H new ATOM 0 HG2 GLU A 124 6.157 -12.959 -18.756 1.00 0.00 H new ATOM 0 HG3 GLU A 124 7.528 -11.868 -18.795 1.00 0.00 H new