USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 707 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 NoAdj-H: A 86 HIS HE2 : A 86 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 64 THR OG1 : rot -31:sc= 0.178 USER MOD Set 1.2: A 71 GLN : amide:sc= -0.0163 X(o=0.16,f=-0.069) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0465 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 0.7 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0616 K(o=-0.062,f=-1.1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0354 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 152:sc= -0.151 (180deg=-0.744) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.76 K(o=-0.76,f=-1.8) USER MOD Single : A 55 MET CE :methyl -151:sc= -5! (180deg=-8.2!) USER MOD Single : A 57 ASN : amide:sc= -0.937 K(o=-0.94,f=-1.5) USER MOD Single : A 59 LYS NZ :NH3+ -140:sc= -2.6! (180deg=-4.1!) USER MOD Single : A 60 GLN : amide:sc= -0.0579 K(o=-0.058,f=-1.6!) USER MOD Single : A 62 MET CE :methyl -120:sc= -0.0445 (180deg=-1.7) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=-0.03) USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= -0.018 (180deg=-0.201) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -126:sc=-0.00177 (180deg=-0.35) USER MOD Single : A 79 LYS NZ :NH3+ 178:sc= -0.42 (180deg=-0.436) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -7.3! C(o=-7.3!,f=-8.8!) USER MOD Single : A 83 MET CE :methyl -119:sc= -1.07 (180deg=-1.8) USER MOD Single : A 85 ASN : amide:sc=-0.00719 X(o=-0.0072,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.41 K(o=-0.41,f=-6.4!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 24:sc= 0.19 USER MOD Single : A 95 SER OG : rot 15:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 39.173 6.382 13.072 1.00 0.00 N ATOM 2 CA GLY A 1 38.314 7.551 13.123 1.00 0.00 C ATOM 3 C GLY A 1 36.871 7.197 13.424 1.00 0.00 C ATOM 4 O GLY A 1 36.424 6.086 13.138 1.00 0.00 O ATOM 0 H1 GLY A 1 39.832 6.400 13.876 1.00 0.00 H new ATOM 0 H2 GLY A 1 38.591 5.521 13.121 1.00 0.00 H new ATOM 0 H3 GLY A 1 39.712 6.386 12.183 1.00 0.00 H new ATOM 0 HA2 GLY A 1 38.683 8.237 13.886 1.00 0.00 H new ATOM 0 HA3 GLY A 1 38.365 8.077 12.170 1.00 0.00 H new ATOM 8 N SER A 2 36.141 8.143 14.005 1.00 0.00 N ATOM 9 CA SER A 2 34.741 7.924 14.352 1.00 0.00 C ATOM 10 C SER A 2 34.050 9.244 14.679 1.00 0.00 C ATOM 11 O SER A 2 34.459 9.962 15.591 1.00 0.00 O ATOM 12 CB SER A 2 34.632 6.969 15.541 1.00 0.00 C ATOM 13 OG SER A 2 35.142 7.564 16.722 1.00 0.00 O ATOM 0 H SER A 2 36.495 9.069 14.246 1.00 0.00 H new ATOM 0 HA SER A 2 34.244 7.478 13.491 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.589 6.689 15.692 1.00 0.00 H new ATOM 0 HB3 SER A 2 35.180 6.052 15.326 1.00 0.00 H new ATOM 0 HG SER A 2 35.096 8.540 16.643 1.00 0.00 H new ATOM 19 N SER A 3 32.998 9.557 13.928 1.00 0.00 N ATOM 20 CA SER A 3 32.251 10.792 14.135 1.00 0.00 C ATOM 21 C SER A 3 30.912 10.745 13.406 1.00 0.00 C ATOM 22 O SER A 3 30.815 10.224 12.295 1.00 0.00 O ATOM 23 CB SER A 3 33.066 11.993 13.652 1.00 0.00 C ATOM 24 OG SER A 3 32.700 13.171 14.350 1.00 0.00 O ATOM 0 H SER A 3 32.644 8.972 13.171 1.00 0.00 H new ATOM 0 HA SER A 3 32.060 10.898 15.203 1.00 0.00 H new ATOM 0 HB2 SER A 3 34.129 11.797 13.795 1.00 0.00 H new ATOM 0 HB3 SER A 3 32.910 12.136 12.583 1.00 0.00 H new ATOM 0 HG SER A 3 33.236 13.924 14.024 1.00 0.00 H new ATOM 30 N GLY A 4 29.880 11.294 14.040 1.00 0.00 N ATOM 31 CA GLY A 4 28.560 11.305 13.437 1.00 0.00 C ATOM 32 C GLY A 4 27.538 12.028 14.293 1.00 0.00 C ATOM 33 O GLY A 4 26.599 11.415 14.801 1.00 0.00 O ATOM 0 H GLY A 4 29.935 11.731 14.960 1.00 0.00 H new ATOM 0 HA2 GLY A 4 28.614 11.784 12.459 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.231 10.279 13.272 1.00 0.00 H new ATOM 37 N SER A 5 27.722 13.334 14.454 1.00 0.00 N ATOM 38 CA SER A 5 26.811 14.140 15.258 1.00 0.00 C ATOM 39 C SER A 5 25.364 13.714 15.033 1.00 0.00 C ATOM 40 O SER A 5 24.835 13.834 13.928 1.00 0.00 O ATOM 41 CB SER A 5 26.976 15.624 14.921 1.00 0.00 C ATOM 42 OG SER A 5 26.507 16.442 15.979 1.00 0.00 O ATOM 0 H SER A 5 28.493 13.857 14.039 1.00 0.00 H new ATOM 0 HA SER A 5 27.058 13.983 16.308 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.026 15.842 14.727 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.428 15.856 14.008 1.00 0.00 H new ATOM 0 HG SER A 5 26.625 17.385 15.740 1.00 0.00 H new ATOM 48 N SER A 6 24.730 13.215 16.089 1.00 0.00 N ATOM 49 CA SER A 6 23.345 12.766 16.006 1.00 0.00 C ATOM 50 C SER A 6 22.388 13.872 16.443 1.00 0.00 C ATOM 51 O SER A 6 22.719 14.692 17.298 1.00 0.00 O ATOM 52 CB SER A 6 23.136 11.524 16.875 1.00 0.00 C ATOM 53 OG SER A 6 23.430 11.797 18.234 1.00 0.00 O ATOM 0 H SER A 6 25.153 13.111 17.011 1.00 0.00 H new ATOM 0 HA SER A 6 23.133 12.514 14.967 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.105 11.182 16.784 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.773 10.715 16.517 1.00 0.00 H new ATOM 0 HG SER A 6 23.287 10.988 18.769 1.00 0.00 H new ATOM 59 N GLY A 7 21.199 13.887 15.848 1.00 0.00 N ATOM 60 CA GLY A 7 20.213 14.896 16.187 1.00 0.00 C ATOM 61 C GLY A 7 18.815 14.322 16.307 1.00 0.00 C ATOM 62 O GLY A 7 18.582 13.394 17.082 1.00 0.00 O ATOM 0 H GLY A 7 20.901 13.218 15.137 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.491 15.369 17.129 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.218 15.676 15.425 1.00 0.00 H new ATOM 66 N ARG A 8 17.882 14.876 15.540 1.00 0.00 N ATOM 67 CA ARG A 8 16.499 14.415 15.567 1.00 0.00 C ATOM 68 C ARG A 8 16.073 13.893 14.198 1.00 0.00 C ATOM 69 O ARG A 8 16.535 14.380 13.166 1.00 0.00 O ATOM 70 CB ARG A 8 15.569 15.549 16.004 1.00 0.00 C ATOM 71 CG ARG A 8 15.351 16.604 14.932 1.00 0.00 C ATOM 72 CD ARG A 8 16.350 17.744 15.060 1.00 0.00 C ATOM 73 NE ARG A 8 16.416 18.554 13.847 1.00 0.00 N ATOM 74 CZ ARG A 8 17.166 19.644 13.731 1.00 0.00 C ATOM 75 NH1 ARG A 8 17.910 20.052 14.749 1.00 0.00 N ATOM 76 NH2 ARG A 8 17.173 20.328 12.594 1.00 0.00 N ATOM 0 H ARG A 8 18.058 15.644 14.893 1.00 0.00 H new ATOM 0 HA ARG A 8 16.429 13.599 16.286 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.605 15.128 16.289 1.00 0.00 H new ATOM 0 HB3 ARG A 8 15.983 16.026 16.892 1.00 0.00 H new ATOM 0 HG2 ARG A 8 15.443 16.147 13.947 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.337 16.997 15.008 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.072 18.376 15.903 1.00 0.00 H new ATOM 0 HD3 ARG A 8 17.338 17.338 15.278 1.00 0.00 H new ATOM 0 HE ARG A 8 15.855 18.267 13.045 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.908 19.529 15.624 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.485 20.889 14.657 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.602 20.017 11.808 1.00 0.00 H new ATOM 0 HH22 ARG A 8 17.749 21.165 12.506 1.00 0.00 H new ATOM 90 N ILE A 9 15.191 12.899 14.197 1.00 0.00 N ATOM 91 CA ILE A 9 14.703 12.312 12.955 1.00 0.00 C ATOM 92 C ILE A 9 13.179 12.265 12.931 1.00 0.00 C ATOM 93 O ILE A 9 12.548 11.783 13.871 1.00 0.00 O ATOM 94 CB ILE A 9 15.253 10.888 12.752 1.00 0.00 C ATOM 95 CG1 ILE A 9 15.030 10.047 14.011 1.00 0.00 C ATOM 96 CG2 ILE A 9 16.732 10.937 12.397 1.00 0.00 C ATOM 97 CD1 ILE A 9 15.318 8.575 13.813 1.00 0.00 C ATOM 0 H ILE A 9 14.800 12.483 15.042 1.00 0.00 H new ATOM 0 HA ILE A 9 15.057 12.949 12.144 1.00 0.00 H new ATOM 0 HB ILE A 9 14.716 10.422 11.926 1.00 0.00 H new ATOM 0 HG12 ILE A 9 15.665 10.429 14.810 1.00 0.00 H new ATOM 0 HG13 ILE A 9 13.998 10.166 14.340 1.00 0.00 H new ATOM 0 HG21 ILE A 9 17.106 9.923 12.257 1.00 0.00 H new ATOM 0 HG22 ILE A 9 16.867 11.504 11.476 1.00 0.00 H new ATOM 0 HG23 ILE A 9 17.284 11.419 13.204 1.00 0.00 H new ATOM 0 HD11 ILE A 9 15.139 8.040 14.746 1.00 0.00 H new ATOM 0 HD12 ILE A 9 14.665 8.178 13.036 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.358 8.445 13.514 1.00 0.00 H new ATOM 109 N ARG A 10 12.595 12.767 11.848 1.00 0.00 N ATOM 110 CA ARG A 10 11.144 12.782 11.701 1.00 0.00 C ATOM 111 C ARG A 10 10.746 12.645 10.234 1.00 0.00 C ATOM 112 O ARG A 10 11.376 13.227 9.351 1.00 0.00 O ATOM 113 CB ARG A 10 10.564 14.073 12.280 1.00 0.00 C ATOM 114 CG ARG A 10 11.104 15.332 11.621 1.00 0.00 C ATOM 115 CD ARG A 10 10.582 16.586 12.305 1.00 0.00 C ATOM 116 NE ARG A 10 10.523 17.724 11.391 1.00 0.00 N ATOM 117 CZ ARG A 10 10.050 18.917 11.732 1.00 0.00 C ATOM 118 NH1 ARG A 10 9.597 19.128 12.960 1.00 0.00 N ATOM 119 NH2 ARG A 10 10.029 19.903 10.844 1.00 0.00 N ATOM 0 H ARG A 10 13.103 13.168 11.060 1.00 0.00 H new ATOM 0 HA ARG A 10 10.739 11.933 12.251 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.479 14.054 12.174 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.779 14.111 13.348 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.193 15.324 11.656 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.819 15.344 10.569 1.00 0.00 H new ATOM 0 HD2 ARG A 10 9.588 16.392 12.707 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.225 16.833 13.150 1.00 0.00 H new ATOM 0 HE ARG A 10 10.864 17.595 10.438 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.611 18.373 13.646 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.234 20.045 13.219 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.376 19.745 9.898 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.665 20.819 11.107 1.00 0.00 H new ATOM 133 N LYS A 11 9.695 11.872 9.981 1.00 0.00 N ATOM 134 CA LYS A 11 9.211 11.659 8.623 1.00 0.00 C ATOM 135 C LYS A 11 8.221 12.747 8.221 1.00 0.00 C ATOM 136 O LYS A 11 7.727 13.492 9.067 1.00 0.00 O ATOM 137 CB LYS A 11 8.549 10.284 8.505 1.00 0.00 C ATOM 138 CG LYS A 11 7.190 10.203 9.179 1.00 0.00 C ATOM 139 CD LYS A 11 6.508 8.874 8.902 1.00 0.00 C ATOM 140 CE LYS A 11 7.128 7.749 9.717 1.00 0.00 C ATOM 141 NZ LYS A 11 6.243 6.553 9.774 1.00 0.00 N ATOM 0 H LYS A 11 9.162 11.382 10.700 1.00 0.00 H new ATOM 0 HA LYS A 11 10.066 11.703 7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.438 10.033 7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.208 9.534 8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.308 10.335 10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.558 11.018 8.825 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.447 8.953 9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.583 8.640 7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.087 7.471 9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.328 8.101 10.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.701 5.809 10.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.337 6.812 10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.072 6.201 8.810 1.00 0.00 H new ATOM 155 N GLU A 12 7.935 12.832 6.925 1.00 0.00 N ATOM 156 CA GLU A 12 7.003 13.829 6.413 1.00 0.00 C ATOM 157 C GLU A 12 6.298 13.322 5.158 1.00 0.00 C ATOM 158 O GLU A 12 6.833 12.513 4.399 1.00 0.00 O ATOM 159 CB GLU A 12 7.737 15.136 6.106 1.00 0.00 C ATOM 160 CG GLU A 12 8.748 15.015 4.978 1.00 0.00 C ATOM 161 CD GLU A 12 9.647 16.231 4.866 1.00 0.00 C ATOM 162 OE1 GLU A 12 9.116 17.361 4.843 1.00 0.00 O ATOM 163 OE2 GLU A 12 10.881 16.052 4.803 1.00 0.00 O ATOM 0 H GLU A 12 8.335 12.223 6.212 1.00 0.00 H new ATOM 0 HA GLU A 12 6.252 14.014 7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.006 15.902 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.249 15.476 7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.361 14.128 5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.220 14.871 4.036 1.00 0.00 H new ATOM 170 N PRO A 13 5.068 13.807 4.934 1.00 0.00 N ATOM 171 CA PRO A 13 4.263 13.418 3.772 1.00 0.00 C ATOM 172 C PRO A 13 4.825 13.968 2.466 1.00 0.00 C ATOM 173 O PRO A 13 5.076 15.165 2.326 1.00 0.00 O ATOM 174 CB PRO A 13 2.893 14.034 4.067 1.00 0.00 C ATOM 175 CG PRO A 13 3.182 15.184 4.968 1.00 0.00 C ATOM 176 CD PRO A 13 4.369 14.775 5.796 1.00 0.00 C ATOM 0 HA PRO A 13 4.239 12.337 3.637 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.401 14.362 3.151 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.229 13.313 4.545 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.399 16.085 4.394 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.324 15.409 5.601 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.003 15.628 6.039 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.064 14.325 6.741 1.00 0.00 H new ATOM 184 N PRO A 14 5.028 13.076 1.485 1.00 0.00 N ATOM 185 CA PRO A 14 5.562 13.450 0.172 1.00 0.00 C ATOM 186 C PRO A 14 4.569 14.270 -0.645 1.00 0.00 C ATOM 187 O PRO A 14 3.375 14.297 -0.344 1.00 0.00 O ATOM 188 CB PRO A 14 5.824 12.101 -0.502 1.00 0.00 C ATOM 189 CG PRO A 14 4.883 11.157 0.162 1.00 0.00 C ATOM 190 CD PRO A 14 4.751 11.633 1.582 1.00 0.00 C ATOM 0 HA PRO A 14 6.448 14.079 0.256 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.641 12.153 -1.575 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.859 11.787 -0.370 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.915 11.153 -0.340 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.264 10.137 0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.754 11.441 1.979 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.459 11.131 2.242 1.00 0.00 H new ATOM 198 N VAL A 15 5.070 14.936 -1.680 1.00 0.00 N ATOM 199 CA VAL A 15 4.226 15.756 -2.542 1.00 0.00 C ATOM 200 C VAL A 15 2.833 15.152 -2.682 1.00 0.00 C ATOM 201 O VAL A 15 1.831 15.867 -2.673 1.00 0.00 O ATOM 202 CB VAL A 15 4.846 15.920 -3.943 1.00 0.00 C ATOM 203 CG1 VAL A 15 5.043 14.563 -4.602 1.00 0.00 C ATOM 204 CG2 VAL A 15 3.977 16.820 -4.807 1.00 0.00 C ATOM 0 H VAL A 15 6.056 14.924 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 15 4.148 16.736 -2.070 1.00 0.00 H new ATOM 0 HB VAL A 15 5.823 16.390 -3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.482 14.699 -5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.709 13.955 -3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.080 14.062 -4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.430 16.925 -5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.985 16.380 -4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.893 17.801 -4.340 1.00 0.00 H new ATOM 214 N TYR A 16 2.778 13.831 -2.812 1.00 0.00 N ATOM 215 CA TYR A 16 1.507 13.130 -2.957 1.00 0.00 C ATOM 216 C TYR A 16 0.577 13.443 -1.789 1.00 0.00 C ATOM 217 O TYR A 16 1.024 13.632 -0.658 1.00 0.00 O ATOM 218 CB TYR A 16 1.741 11.621 -3.047 1.00 0.00 C ATOM 219 CG TYR A 16 2.957 11.245 -3.863 1.00 0.00 C ATOM 220 CD1 TYR A 16 3.130 11.730 -5.153 1.00 0.00 C ATOM 221 CD2 TYR A 16 3.933 10.404 -3.343 1.00 0.00 C ATOM 222 CE1 TYR A 16 4.239 11.388 -5.903 1.00 0.00 C ATOM 223 CE2 TYR A 16 5.046 10.057 -4.085 1.00 0.00 C ATOM 224 CZ TYR A 16 5.194 10.551 -5.364 1.00 0.00 C ATOM 225 OH TYR A 16 6.301 10.209 -6.107 1.00 0.00 O ATOM 0 H TYR A 16 3.598 13.224 -2.820 1.00 0.00 H new ATOM 0 HA TYR A 16 1.034 13.473 -3.877 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.851 11.218 -2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.860 11.151 -3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.384 12.386 -5.577 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.820 10.015 -2.342 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.357 11.774 -6.905 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.796 9.403 -3.666 1.00 0.00 H new ATOM 0 HH TYR A 16 6.876 9.614 -5.582 1.00 0.00 H new ATOM 235 N ALA A 17 -0.721 13.495 -2.072 1.00 0.00 N ATOM 236 CA ALA A 17 -1.716 13.782 -1.046 1.00 0.00 C ATOM 237 C ALA A 17 -1.454 12.966 0.215 1.00 0.00 C ATOM 238 O ALA A 17 -0.880 11.879 0.155 1.00 0.00 O ATOM 239 CB ALA A 17 -3.115 13.504 -1.576 1.00 0.00 C ATOM 0 H ALA A 17 -1.108 13.342 -3.003 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.641 14.838 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.848 13.722 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.307 14.134 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.193 12.456 -1.864 1.00 0.00 H new ATOM 245 N ALA A 18 -1.878 13.498 1.357 1.00 0.00 N ATOM 246 CA ALA A 18 -1.691 12.818 2.633 1.00 0.00 C ATOM 247 C ALA A 18 -2.744 11.734 2.837 1.00 0.00 C ATOM 248 O ALA A 18 -3.315 11.606 3.919 1.00 0.00 O ATOM 249 CB ALA A 18 -1.734 13.821 3.776 1.00 0.00 C ATOM 0 H ALA A 18 -2.353 14.398 1.424 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.712 12.339 2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.593 13.300 4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.940 14.556 3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.700 14.327 3.780 1.00 0.00 H new ATOM 255 N GLY A 19 -2.997 10.956 1.789 1.00 0.00 N ATOM 256 CA GLY A 19 -3.982 9.894 1.874 1.00 0.00 C ATOM 257 C GLY A 19 -4.724 9.685 0.569 1.00 0.00 C ATOM 258 O GLY A 19 -5.955 9.669 0.543 1.00 0.00 O ATOM 0 H GLY A 19 -2.537 11.042 0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.487 8.966 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.698 10.129 2.662 1.00 0.00 H new ATOM 262 N SER A 20 -3.975 9.527 -0.517 1.00 0.00 N ATOM 263 CA SER A 20 -4.570 9.323 -1.833 1.00 0.00 C ATOM 264 C SER A 20 -3.903 8.157 -2.556 1.00 0.00 C ATOM 265 O SER A 20 -2.846 7.678 -2.144 1.00 0.00 O ATOM 266 CB SER A 20 -4.447 10.596 -2.673 1.00 0.00 C ATOM 267 OG SER A 20 -5.529 10.714 -3.581 1.00 0.00 O ATOM 0 H SER A 20 -2.955 9.536 -0.512 1.00 0.00 H new ATOM 0 HA SER A 20 -5.625 9.086 -1.695 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.421 11.467 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.506 10.583 -3.223 1.00 0.00 H new ATOM 0 HG SER A 20 -5.428 11.536 -4.105 1.00 0.00 H new ATOM 273 N LEU A 21 -4.529 7.705 -3.637 1.00 0.00 N ATOM 274 CA LEU A 21 -3.997 6.594 -4.420 1.00 0.00 C ATOM 275 C LEU A 21 -2.503 6.769 -4.670 1.00 0.00 C ATOM 276 O LEU A 21 -1.741 5.804 -4.633 1.00 0.00 O ATOM 277 CB LEU A 21 -4.739 6.483 -5.753 1.00 0.00 C ATOM 278 CG LEU A 21 -5.955 5.555 -5.770 1.00 0.00 C ATOM 279 CD1 LEU A 21 -6.730 5.713 -7.068 1.00 0.00 C ATOM 280 CD2 LEU A 21 -5.524 4.108 -5.576 1.00 0.00 C ATOM 0 H LEU A 21 -5.405 8.090 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.146 5.677 -3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.064 7.480 -6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.034 6.140 -6.510 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.611 5.832 -4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.591 5.045 -7.061 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.071 6.744 -7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.084 5.464 -7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.402 3.462 -5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.847 3.819 -6.380 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.014 4.006 -4.618 1.00 0.00 H new ATOM 292 N GLU A 22 -2.091 8.008 -4.921 1.00 0.00 N ATOM 293 CA GLU A 22 -0.687 8.309 -5.175 1.00 0.00 C ATOM 294 C GLU A 22 0.207 7.667 -4.118 1.00 0.00 C ATOM 295 O GLU A 22 1.162 6.963 -4.444 1.00 0.00 O ATOM 296 CB GLU A 22 -0.463 9.822 -5.197 1.00 0.00 C ATOM 297 CG GLU A 22 -0.991 10.498 -6.452 1.00 0.00 C ATOM 298 CD GLU A 22 -1.253 11.978 -6.252 1.00 0.00 C ATOM 299 OE1 GLU A 22 -0.451 12.634 -5.555 1.00 0.00 O ATOM 300 OE2 GLU A 22 -2.261 12.479 -6.792 1.00 0.00 O ATOM 0 H GLU A 22 -2.709 8.819 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.424 7.896 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.945 10.265 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.604 10.024 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.272 10.366 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.914 10.008 -6.763 1.00 0.00 H new ATOM 307 N GLU A 23 -0.112 7.915 -2.852 1.00 0.00 N ATOM 308 CA GLU A 23 0.663 7.362 -1.748 1.00 0.00 C ATOM 309 C GLU A 23 0.732 5.841 -1.839 1.00 0.00 C ATOM 310 O GLU A 23 1.813 5.255 -1.785 1.00 0.00 O ATOM 311 CB GLU A 23 0.051 7.776 -0.408 1.00 0.00 C ATOM 312 CG GLU A 23 0.863 7.331 0.797 1.00 0.00 C ATOM 313 CD GLU A 23 0.449 8.036 2.073 1.00 0.00 C ATOM 314 OE1 GLU A 23 0.749 9.240 2.211 1.00 0.00 O ATOM 315 OE2 GLU A 23 -0.178 7.383 2.934 1.00 0.00 O ATOM 0 H GLU A 23 -0.901 8.495 -2.566 1.00 0.00 H new ATOM 0 HA GLU A 23 1.676 7.759 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.052 8.861 -0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.953 7.359 -0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.751 6.255 0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.920 7.521 0.608 1.00 0.00 H new ATOM 322 N GLN A 24 -0.429 5.209 -1.978 1.00 0.00 N ATOM 323 CA GLN A 24 -0.500 3.756 -2.076 1.00 0.00 C ATOM 324 C GLN A 24 0.388 3.242 -3.204 1.00 0.00 C ATOM 325 O GLN A 24 1.218 2.356 -3.000 1.00 0.00 O ATOM 326 CB GLN A 24 -1.945 3.309 -2.304 1.00 0.00 C ATOM 327 CG GLN A 24 -2.907 3.790 -1.230 1.00 0.00 C ATOM 328 CD GLN A 24 -4.360 3.602 -1.621 1.00 0.00 C ATOM 329 OE1 GLN A 24 -4.682 2.778 -2.478 1.00 0.00 O ATOM 330 NE2 GLN A 24 -5.246 4.366 -0.994 1.00 0.00 N ATOM 0 H GLN A 24 -1.333 5.680 -2.025 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.141 3.336 -1.136 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.282 3.677 -3.273 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.977 2.220 -2.348 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.711 3.250 -0.304 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.723 4.845 -1.029 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.935 5.036 -0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.238 4.283 -1.216 1.00 0.00 H new ATOM 339 N TRP A 25 0.207 3.803 -4.394 1.00 0.00 N ATOM 340 CA TRP A 25 0.992 3.400 -5.556 1.00 0.00 C ATOM 341 C TRP A 25 2.483 3.586 -5.296 1.00 0.00 C ATOM 342 O TRP A 25 3.298 2.748 -5.683 1.00 0.00 O ATOM 343 CB TRP A 25 0.571 4.208 -6.786 1.00 0.00 C ATOM 344 CG TRP A 25 -0.834 3.931 -7.226 1.00 0.00 C ATOM 345 CD1 TRP A 25 -1.559 2.798 -6.990 1.00 0.00 C ATOM 346 CD2 TRP A 25 -1.684 4.803 -7.979 1.00 0.00 C ATOM 347 NE1 TRP A 25 -2.808 2.912 -7.552 1.00 0.00 N ATOM 348 CE2 TRP A 25 -2.910 4.134 -8.163 1.00 0.00 C ATOM 349 CE3 TRP A 25 -1.529 6.085 -8.514 1.00 0.00 C ATOM 350 CZ2 TRP A 25 -3.971 4.704 -8.861 1.00 0.00 C ATOM 351 CZ3 TRP A 25 -2.584 6.649 -9.206 1.00 0.00 C ATOM 352 CH2 TRP A 25 -3.792 5.960 -9.374 1.00 0.00 C ATOM 0 H TRP A 25 -0.476 4.538 -4.580 1.00 0.00 H new ATOM 0 HA TRP A 25 0.804 2.343 -5.742 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.672 5.271 -6.566 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.252 3.986 -7.608 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.203 1.938 -6.442 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.540 2.202 -7.519 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.602 6.625 -8.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.903 4.174 -8.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.475 7.639 -9.625 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -4.598 6.429 -9.919 1.00 0.00 H new ATOM 363 N TYR A 26 2.832 4.686 -4.640 1.00 0.00 N ATOM 364 CA TYR A 26 4.226 4.982 -4.331 1.00 0.00 C ATOM 365 C TYR A 26 4.870 3.831 -3.565 1.00 0.00 C ATOM 366 O TYR A 26 5.951 3.360 -3.921 1.00 0.00 O ATOM 367 CB TYR A 26 4.327 6.272 -3.515 1.00 0.00 C ATOM 368 CG TYR A 26 5.742 6.630 -3.121 1.00 0.00 C ATOM 369 CD1 TYR A 26 6.664 7.047 -4.073 1.00 0.00 C ATOM 370 CD2 TYR A 26 6.157 6.550 -1.798 1.00 0.00 C ATOM 371 CE1 TYR A 26 7.959 7.374 -3.718 1.00 0.00 C ATOM 372 CE2 TYR A 26 7.449 6.877 -1.433 1.00 0.00 C ATOM 373 CZ TYR A 26 8.346 7.289 -2.397 1.00 0.00 C ATOM 374 OH TYR A 26 9.634 7.614 -2.038 1.00 0.00 O ATOM 0 H TYR A 26 2.169 5.388 -4.312 1.00 0.00 H new ATOM 0 HA TYR A 26 4.760 5.113 -5.272 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.901 7.092 -4.093 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.723 6.170 -2.614 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.364 7.117 -5.108 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.458 6.227 -1.041 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.664 7.694 -4.471 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.755 6.810 -0.399 1.00 0.00 H new ATOM 0 HH TYR A 26 9.742 7.501 -1.071 1.00 0.00 H new ATOM 384 N LEU A 27 4.198 3.381 -2.511 1.00 0.00 N ATOM 385 CA LEU A 27 4.702 2.283 -1.693 1.00 0.00 C ATOM 386 C LEU A 27 5.016 1.063 -2.553 1.00 0.00 C ATOM 387 O LEU A 27 6.137 0.557 -2.543 1.00 0.00 O ATOM 388 CB LEU A 27 3.682 1.913 -0.615 1.00 0.00 C ATOM 389 CG LEU A 27 3.197 3.061 0.271 1.00 0.00 C ATOM 390 CD1 LEU A 27 1.872 2.705 0.928 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.242 3.400 1.324 1.00 0.00 C ATOM 0 H LEU A 27 3.302 3.760 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 27 5.623 2.613 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.816 1.465 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.121 1.147 0.025 1.00 0.00 H new ATOM 0 HG LEU A 27 3.044 3.939 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.542 3.534 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.124 2.512 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.998 1.814 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.880 4.219 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.427 2.526 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.169 3.699 0.834 1.00 0.00 H new ATOM 403 N GLU A 28 4.017 0.596 -3.296 1.00 0.00 N ATOM 404 CA GLU A 28 4.187 -0.564 -4.163 1.00 0.00 C ATOM 405 C GLU A 28 5.517 -0.496 -4.908 1.00 0.00 C ATOM 406 O GLU A 28 6.058 -1.519 -5.329 1.00 0.00 O ATOM 407 CB GLU A 28 3.034 -0.655 -5.163 1.00 0.00 C ATOM 408 CG GLU A 28 2.914 -2.014 -5.833 1.00 0.00 C ATOM 409 CD GLU A 28 1.508 -2.302 -6.322 1.00 0.00 C ATOM 410 OE1 GLU A 28 0.547 -1.864 -5.655 1.00 0.00 O ATOM 411 OE2 GLU A 28 1.368 -2.965 -7.370 1.00 0.00 O ATOM 0 H GLU A 28 3.082 1.003 -3.315 1.00 0.00 H new ATOM 0 HA GLU A 28 4.186 -1.456 -3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.100 -0.429 -4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.168 0.108 -5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.604 -2.062 -6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.216 -2.790 -5.129 1.00 0.00 H new ATOM 418 N ILE A 29 6.038 0.717 -5.068 1.00 0.00 N ATOM 419 CA ILE A 29 7.304 0.919 -5.761 1.00 0.00 C ATOM 420 C ILE A 29 8.474 0.908 -4.784 1.00 0.00 C ATOM 421 O ILE A 29 9.431 0.152 -4.952 1.00 0.00 O ATOM 422 CB ILE A 29 7.313 2.247 -6.541 1.00 0.00 C ATOM 423 CG1 ILE A 29 6.130 2.303 -7.510 1.00 0.00 C ATOM 424 CG2 ILE A 29 8.627 2.412 -7.290 1.00 0.00 C ATOM 425 CD1 ILE A 29 5.639 3.707 -7.784 1.00 0.00 C ATOM 0 H ILE A 29 5.602 1.574 -4.727 1.00 0.00 H new ATOM 0 HA ILE A 29 7.414 0.093 -6.464 1.00 0.00 H new ATOM 0 HB ILE A 29 7.216 3.069 -5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.420 1.838 -8.452 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.309 1.713 -7.103 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.618 3.355 -7.836 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.453 2.412 -6.579 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.752 1.587 -7.992 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.800 3.670 -8.479 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.317 4.169 -6.850 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.446 4.296 -8.221 1.00 0.00 H new ATOM 437 N VAL A 30 8.390 1.751 -3.759 1.00 0.00 N ATOM 438 CA VAL A 30 9.440 1.837 -2.752 1.00 0.00 C ATOM 439 C VAL A 30 9.645 0.496 -2.056 1.00 0.00 C ATOM 440 O VAL A 30 10.699 0.243 -1.472 1.00 0.00 O ATOM 441 CB VAL A 30 9.117 2.908 -1.693 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.524 4.146 -2.350 1.00 0.00 C ATOM 443 CG2 VAL A 30 8.171 2.348 -0.641 1.00 0.00 C ATOM 0 H VAL A 30 7.605 2.384 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 30 10.355 2.117 -3.273 1.00 0.00 H new ATOM 0 HB VAL A 30 10.044 3.197 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.302 4.892 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.239 4.558 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.606 3.876 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.953 3.118 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.244 2.030 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.637 1.494 -0.150 1.00 0.00 H new ATOM 453 N ASP A 31 8.632 -0.360 -2.123 1.00 0.00 N ATOM 454 CA ASP A 31 8.701 -1.677 -1.500 1.00 0.00 C ATOM 455 C ASP A 31 9.234 -2.715 -2.483 1.00 0.00 C ATOM 456 O ASP A 31 10.125 -3.498 -2.153 1.00 0.00 O ATOM 457 CB ASP A 31 7.321 -2.098 -0.993 1.00 0.00 C ATOM 458 CG ASP A 31 7.401 -2.998 0.225 1.00 0.00 C ATOM 459 OD1 ASP A 31 7.664 -2.478 1.330 1.00 0.00 O ATOM 460 OD2 ASP A 31 7.200 -4.220 0.073 1.00 0.00 O ATOM 0 H ASP A 31 7.753 -0.166 -2.602 1.00 0.00 H new ATOM 0 HA ASP A 31 9.387 -1.617 -0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.741 -1.209 -0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.787 -2.616 -1.790 1.00 0.00 H new ATOM 465 N LYS A 32 8.682 -2.717 -3.692 1.00 0.00 N ATOM 466 CA LYS A 32 9.101 -3.658 -4.723 1.00 0.00 C ATOM 467 C LYS A 32 10.009 -2.978 -5.743 1.00 0.00 C ATOM 468 O LYS A 32 11.122 -3.436 -6.001 1.00 0.00 O ATOM 469 CB LYS A 32 7.879 -4.251 -5.428 1.00 0.00 C ATOM 470 CG LYS A 32 6.765 -4.655 -4.478 1.00 0.00 C ATOM 471 CD LYS A 32 7.183 -5.814 -3.590 1.00 0.00 C ATOM 472 CE LYS A 32 6.450 -5.788 -2.257 1.00 0.00 C ATOM 473 NZ LYS A 32 5.093 -6.391 -2.358 1.00 0.00 N ATOM 0 H LYS A 32 7.943 -2.077 -3.981 1.00 0.00 H new ATOM 0 HA LYS A 32 9.660 -4.460 -4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.492 -3.522 -6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.189 -5.124 -6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.487 -3.802 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.881 -4.935 -5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.980 -6.756 -4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.258 -5.771 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.033 -6.329 -1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.365 -4.758 -1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.627 -6.354 -1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.528 -5.860 -3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.175 -7.381 -2.665 1.00 0.00 H new ATOM 487 N GLY A 33 9.528 -1.881 -6.320 1.00 0.00 N ATOM 488 CA GLY A 33 10.310 -1.156 -7.304 1.00 0.00 C ATOM 489 C GLY A 33 9.446 -0.499 -8.362 1.00 0.00 C ATOM 490 O GLY A 33 9.862 0.467 -9.001 1.00 0.00 O ATOM 0 H GLY A 33 8.610 -1.481 -6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.905 -0.394 -6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.009 -1.841 -7.784 1.00 0.00 H new ATOM 494 N SER A 34 8.240 -1.026 -8.550 1.00 0.00 N ATOM 495 CA SER A 34 7.317 -0.488 -9.542 1.00 0.00 C ATOM 496 C SER A 34 5.870 -0.665 -9.091 1.00 0.00 C ATOM 497 O SER A 34 5.601 -1.264 -8.050 1.00 0.00 O ATOM 498 CB SER A 34 7.529 -1.174 -10.893 1.00 0.00 C ATOM 499 OG SER A 34 7.011 -2.493 -10.881 1.00 0.00 O ATOM 0 H SER A 34 7.880 -1.825 -8.028 1.00 0.00 H new ATOM 0 HA SER A 34 7.519 0.578 -9.648 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.042 -0.596 -11.679 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.593 -1.200 -11.129 1.00 0.00 H new ATOM 0 HG SER A 34 7.157 -2.910 -11.756 1.00 0.00 H new ATOM 505 N VAL A 35 4.941 -0.138 -9.882 1.00 0.00 N ATOM 506 CA VAL A 35 3.521 -0.238 -9.566 1.00 0.00 C ATOM 507 C VAL A 35 2.736 -0.813 -10.740 1.00 0.00 C ATOM 508 O VAL A 35 3.096 -0.610 -11.900 1.00 0.00 O ATOM 509 CB VAL A 35 2.932 1.135 -9.192 1.00 0.00 C ATOM 510 CG1 VAL A 35 2.909 2.055 -10.403 1.00 0.00 C ATOM 511 CG2 VAL A 35 1.536 0.974 -8.608 1.00 0.00 C ATOM 0 H VAL A 35 5.146 0.363 -10.747 1.00 0.00 H new ATOM 0 HA VAL A 35 3.433 -0.908 -8.711 1.00 0.00 H new ATOM 0 HB VAL A 35 3.569 1.589 -8.433 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.490 3.020 -10.119 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.925 2.195 -10.773 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.296 1.610 -11.187 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.135 1.954 -8.349 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.887 0.498 -9.343 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.585 0.354 -7.713 1.00 0.00 H new ATOM 521 N SER A 36 1.661 -1.531 -10.431 1.00 0.00 N ATOM 522 CA SER A 36 0.826 -2.139 -11.460 1.00 0.00 C ATOM 523 C SER A 36 -0.430 -1.307 -11.702 1.00 0.00 C ATOM 524 O SER A 36 -0.889 -0.584 -10.817 1.00 0.00 O ATOM 525 CB SER A 36 0.439 -3.563 -11.057 1.00 0.00 C ATOM 526 OG SER A 36 -0.559 -4.083 -11.917 1.00 0.00 O ATOM 0 H SER A 36 1.348 -1.706 -9.476 1.00 0.00 H new ATOM 0 HA SER A 36 1.401 -2.175 -12.385 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.320 -4.205 -11.087 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.076 -3.567 -10.029 1.00 0.00 H new ATOM 0 HG SER A 36 -0.788 -4.995 -11.639 1.00 0.00 H new ATOM 532 N CYS A 37 -0.981 -1.416 -12.906 1.00 0.00 N ATOM 533 CA CYS A 37 -2.183 -0.675 -13.267 1.00 0.00 C ATOM 534 C CYS A 37 -3.360 -1.085 -12.387 1.00 0.00 C ATOM 535 O CYS A 37 -3.881 -2.197 -12.483 1.00 0.00 O ATOM 536 CB CYS A 37 -2.528 -0.907 -14.739 1.00 0.00 C ATOM 537 SG CYS A 37 -3.838 0.186 -15.377 1.00 0.00 S ATOM 0 H CYS A 37 -0.614 -2.011 -13.649 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.986 0.385 -13.110 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.629 -0.766 -15.338 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.839 -1.944 -14.869 1.00 0.00 H new ATOM 542 N PRO A 38 -3.790 -0.168 -11.508 1.00 0.00 N ATOM 543 CA PRO A 38 -4.910 -0.411 -10.594 1.00 0.00 C ATOM 544 C PRO A 38 -6.247 -0.482 -11.322 1.00 0.00 C ATOM 545 O PRO A 38 -7.276 -0.798 -10.724 1.00 0.00 O ATOM 546 CB PRO A 38 -4.874 0.800 -9.659 1.00 0.00 C ATOM 547 CG PRO A 38 -4.212 1.873 -10.453 1.00 0.00 C ATOM 548 CD PRO A 38 -3.215 1.178 -11.338 1.00 0.00 C ATOM 0 HA PRO A 38 -4.816 -1.367 -10.079 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.878 1.095 -9.355 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.317 0.580 -8.748 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.941 2.426 -11.045 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.719 2.594 -9.800 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.100 1.690 -12.294 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.228 1.138 -10.877 1.00 0.00 H new ATOM 556 N THR A 39 -6.227 -0.186 -12.618 1.00 0.00 N ATOM 557 CA THR A 39 -7.438 -0.216 -13.428 1.00 0.00 C ATOM 558 C THR A 39 -7.593 -1.557 -14.137 1.00 0.00 C ATOM 559 O THR A 39 -8.631 -2.210 -14.031 1.00 0.00 O ATOM 560 CB THR A 39 -7.438 0.910 -14.479 1.00 0.00 C ATOM 561 OG1 THR A 39 -6.976 2.131 -13.890 1.00 0.00 O ATOM 562 CG2 THR A 39 -8.832 1.114 -15.053 1.00 0.00 C ATOM 0 H THR A 39 -5.385 0.077 -13.129 1.00 0.00 H new ATOM 0 HA THR A 39 -8.277 -0.069 -12.748 1.00 0.00 H new ATOM 0 HB THR A 39 -6.767 0.621 -15.288 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.978 2.841 -14.565 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.807 1.914 -15.793 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.169 0.192 -15.527 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.520 1.382 -14.251 1.00 0.00 H new ATOM 570 N CYS A 40 -6.554 -1.963 -14.859 1.00 0.00 N ATOM 571 CA CYS A 40 -6.574 -3.226 -15.585 1.00 0.00 C ATOM 572 C CYS A 40 -5.718 -4.273 -14.879 1.00 0.00 C ATOM 573 O CYS A 40 -6.014 -5.467 -14.928 1.00 0.00 O ATOM 574 CB CYS A 40 -6.073 -3.024 -17.017 1.00 0.00 C ATOM 575 SG CYS A 40 -4.282 -2.715 -17.141 1.00 0.00 S ATOM 0 H CYS A 40 -5.687 -1.435 -14.957 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.604 -3.583 -15.614 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.320 -3.908 -17.605 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.607 -2.185 -17.463 1.00 0.00 H new ATOM 580 N GLN A 41 -4.656 -3.817 -14.222 1.00 0.00 N ATOM 581 CA GLN A 41 -3.757 -4.714 -13.506 1.00 0.00 C ATOM 582 C GLN A 41 -3.087 -5.693 -14.465 1.00 0.00 C ATOM 583 O GLN A 41 -2.945 -6.877 -14.160 1.00 0.00 O ATOM 584 CB GLN A 41 -4.522 -5.482 -12.427 1.00 0.00 C ATOM 585 CG GLN A 41 -5.061 -4.595 -11.316 1.00 0.00 C ATOM 586 CD GLN A 41 -5.407 -5.375 -10.063 1.00 0.00 C ATOM 587 OE1 GLN A 41 -5.862 -6.517 -10.134 1.00 0.00 O ATOM 588 NE2 GLN A 41 -5.191 -4.761 -8.905 1.00 0.00 N ATOM 0 H GLN A 41 -4.397 -2.832 -14.171 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.983 -4.110 -13.033 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.352 -6.014 -12.891 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.864 -6.235 -11.993 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.320 -3.834 -11.072 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.949 -4.073 -11.672 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.812 -3.814 -8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.404 -5.237 -8.028 1.00 0.00 H new ATOM 597 N ALA A 42 -2.677 -5.190 -15.625 1.00 0.00 N ATOM 598 CA ALA A 42 -2.020 -6.020 -16.627 1.00 0.00 C ATOM 599 C ALA A 42 -0.549 -5.647 -16.770 1.00 0.00 C ATOM 600 O ALA A 42 0.317 -6.518 -16.856 1.00 0.00 O ATOM 601 CB ALA A 42 -2.732 -5.892 -17.966 1.00 0.00 C ATOM 0 H ALA A 42 -2.788 -4.212 -15.894 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.074 -7.057 -16.297 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.231 -6.517 -18.706 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.768 -6.215 -17.860 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.708 -4.853 -18.293 1.00 0.00 H new ATOM 607 N VAL A 43 -0.272 -4.347 -16.796 1.00 0.00 N ATOM 608 CA VAL A 43 1.096 -3.859 -16.929 1.00 0.00 C ATOM 609 C VAL A 43 1.390 -2.765 -15.908 1.00 0.00 C ATOM 610 O VAL A 43 0.542 -1.920 -15.627 1.00 0.00 O ATOM 611 CB VAL A 43 1.361 -3.311 -18.343 1.00 0.00 C ATOM 612 CG1 VAL A 43 1.151 -4.398 -19.386 1.00 0.00 C ATOM 613 CG2 VAL A 43 0.471 -2.111 -18.625 1.00 0.00 C ATOM 0 H VAL A 43 -0.977 -3.613 -16.727 1.00 0.00 H new ATOM 0 HA VAL A 43 1.755 -4.708 -16.748 1.00 0.00 H new ATOM 0 HB VAL A 43 2.400 -2.985 -18.398 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.343 -3.991 -20.379 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.836 -5.224 -19.194 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.124 -4.759 -19.334 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.672 -1.737 -19.629 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.575 -2.408 -18.551 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.677 -1.326 -17.897 1.00 0.00 H new ATOM 623 N GLY A 44 2.599 -2.788 -15.356 1.00 0.00 N ATOM 624 CA GLY A 44 2.985 -1.793 -14.373 1.00 0.00 C ATOM 625 C GLY A 44 3.981 -0.791 -14.921 1.00 0.00 C ATOM 626 O GLY A 44 4.461 -0.935 -16.046 1.00 0.00 O ATOM 0 H GLY A 44 3.318 -3.478 -15.572 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.096 -1.265 -14.027 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.417 -2.292 -13.506 1.00 0.00 H new ATOM 630 N ARG A 45 4.293 0.227 -14.127 1.00 0.00 N ATOM 631 CA ARG A 45 5.236 1.259 -14.541 1.00 0.00 C ATOM 632 C ARG A 45 6.291 1.494 -13.464 1.00 0.00 C ATOM 633 O ARG A 45 6.049 1.260 -12.280 1.00 0.00 O ATOM 634 CB ARG A 45 4.498 2.565 -14.840 1.00 0.00 C ATOM 635 CG ARG A 45 3.726 2.542 -16.150 1.00 0.00 C ATOM 636 CD ARG A 45 4.576 3.046 -17.306 1.00 0.00 C ATOM 637 NE ARG A 45 3.896 2.898 -18.590 1.00 0.00 N ATOM 638 CZ ARG A 45 4.144 3.666 -19.645 1.00 0.00 C ATOM 639 NH1 ARG A 45 5.051 4.630 -19.570 1.00 0.00 N ATOM 640 NH2 ARG A 45 3.484 3.469 -20.780 1.00 0.00 N ATOM 0 H ARG A 45 3.906 0.360 -13.192 1.00 0.00 H new ATOM 0 HA ARG A 45 5.736 0.917 -15.447 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.807 2.777 -14.024 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.219 3.382 -14.867 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.392 1.526 -16.359 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.832 3.159 -16.058 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.822 4.096 -17.145 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.518 2.498 -17.329 1.00 0.00 H new ATOM 0 HE ARG A 45 3.192 2.165 -18.682 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.561 4.784 -18.700 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.239 5.218 -20.382 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.786 2.728 -20.842 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.675 4.059 -21.590 1.00 0.00 H new ATOM 654 N LYS A 46 7.464 1.958 -13.883 1.00 0.00 N ATOM 655 CA LYS A 46 8.557 2.226 -12.956 1.00 0.00 C ATOM 656 C LYS A 46 8.061 2.999 -11.739 1.00 0.00 C ATOM 657 O LYS A 46 8.234 2.563 -10.600 1.00 0.00 O ATOM 658 CB LYS A 46 9.666 3.014 -13.657 1.00 0.00 C ATOM 659 CG LYS A 46 10.467 2.188 -14.649 1.00 0.00 C ATOM 660 CD LYS A 46 9.967 2.383 -16.070 1.00 0.00 C ATOM 661 CE LYS A 46 10.807 1.603 -17.069 1.00 0.00 C ATOM 662 NZ LYS A 46 10.617 2.097 -18.461 1.00 0.00 N ATOM 0 H LYS A 46 7.682 2.156 -14.860 1.00 0.00 H new ATOM 0 HA LYS A 46 8.957 1.270 -12.619 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.223 3.863 -14.178 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.343 3.420 -12.905 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.519 2.468 -14.591 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.402 1.133 -14.381 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.928 2.062 -16.138 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.990 3.443 -16.323 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.860 1.681 -16.797 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.542 0.547 -17.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.207 1.539 -19.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.617 1.999 -18.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.894 3.098 -18.515 1.00 0.00 H new ATOM 676 N THR A 47 7.441 4.149 -11.986 1.00 0.00 N ATOM 677 CA THR A 47 6.920 4.983 -10.910 1.00 0.00 C ATOM 678 C THR A 47 5.495 5.436 -11.208 1.00 0.00 C ATOM 679 O THR A 47 4.946 5.135 -12.268 1.00 0.00 O ATOM 680 CB THR A 47 7.804 6.223 -10.681 1.00 0.00 C ATOM 681 OG1 THR A 47 8.249 6.746 -11.937 1.00 0.00 O ATOM 682 CG2 THR A 47 9.006 5.877 -9.815 1.00 0.00 C ATOM 0 H THR A 47 7.288 4.524 -12.922 1.00 0.00 H new ATOM 0 HA THR A 47 6.924 4.373 -10.007 1.00 0.00 H new ATOM 0 HB THR A 47 7.209 6.977 -10.165 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.809 7.535 -11.783 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.616 6.768 -9.667 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.664 5.507 -8.849 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.601 5.108 -10.308 1.00 0.00 H new ATOM 690 N ILE A 48 4.902 6.163 -10.266 1.00 0.00 N ATOM 691 CA ILE A 48 3.541 6.659 -10.430 1.00 0.00 C ATOM 692 C ILE A 48 3.374 7.377 -11.765 1.00 0.00 C ATOM 693 O ILE A 48 2.436 7.105 -12.513 1.00 0.00 O ATOM 694 CB ILE A 48 3.152 7.620 -9.291 1.00 0.00 C ATOM 695 CG1 ILE A 48 3.384 6.956 -7.932 1.00 0.00 C ATOM 696 CG2 ILE A 48 1.701 8.052 -9.435 1.00 0.00 C ATOM 697 CD1 ILE A 48 2.986 7.825 -6.759 1.00 0.00 C ATOM 0 H ILE A 48 5.342 6.421 -9.383 1.00 0.00 H new ATOM 0 HA ILE A 48 2.883 5.790 -10.403 1.00 0.00 H new ATOM 0 HB ILE A 48 3.782 8.507 -9.353 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.820 6.024 -7.891 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.438 6.695 -7.839 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.441 8.731 -8.623 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.566 8.560 -10.390 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.055 7.175 -9.396 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.178 7.291 -5.829 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.568 8.746 -6.775 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.925 8.065 -6.827 1.00 0.00 H new ATOM 709 N GLU A 49 4.292 8.293 -12.057 1.00 0.00 N ATOM 710 CA GLU A 49 4.247 9.049 -13.303 1.00 0.00 C ATOM 711 C GLU A 49 3.927 8.135 -14.482 1.00 0.00 C ATOM 712 O GLU A 49 2.985 8.382 -15.235 1.00 0.00 O ATOM 713 CB GLU A 49 5.580 9.761 -13.542 1.00 0.00 C ATOM 714 CG GLU A 49 5.974 10.708 -12.421 1.00 0.00 C ATOM 715 CD GLU A 49 7.438 11.100 -12.476 1.00 0.00 C ATOM 716 OE1 GLU A 49 8.274 10.346 -11.935 1.00 0.00 O ATOM 717 OE2 GLU A 49 7.748 12.160 -13.060 1.00 0.00 O ATOM 0 H GLU A 49 5.075 8.529 -11.448 1.00 0.00 H new ATOM 0 HA GLU A 49 3.456 9.794 -13.218 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.364 9.014 -13.667 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.521 10.321 -14.475 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.359 11.606 -12.476 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.764 10.236 -11.461 1.00 0.00 H new ATOM 724 N GLY A 50 4.719 7.078 -14.636 1.00 0.00 N ATOM 725 CA GLY A 50 4.504 6.144 -15.726 1.00 0.00 C ATOM 726 C GLY A 50 3.123 5.522 -15.693 1.00 0.00 C ATOM 727 O GLY A 50 2.497 5.325 -16.735 1.00 0.00 O ATOM 0 H GLY A 50 5.505 6.852 -14.026 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.644 6.660 -16.676 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.255 5.356 -15.678 1.00 0.00 H new ATOM 731 N LEU A 51 2.645 5.209 -14.493 1.00 0.00 N ATOM 732 CA LEU A 51 1.328 4.603 -14.328 1.00 0.00 C ATOM 733 C LEU A 51 0.227 5.570 -14.751 1.00 0.00 C ATOM 734 O LEU A 51 -0.572 5.268 -15.638 1.00 0.00 O ATOM 735 CB LEU A 51 1.119 4.179 -12.873 1.00 0.00 C ATOM 736 CG LEU A 51 -0.327 3.909 -12.454 1.00 0.00 C ATOM 737 CD1 LEU A 51 -0.781 2.546 -12.951 1.00 0.00 C ATOM 738 CD2 LEU A 51 -0.470 4.003 -10.942 1.00 0.00 C ATOM 0 H LEU A 51 3.150 5.365 -13.620 1.00 0.00 H new ATOM 0 HA LEU A 51 1.278 3.722 -14.968 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.704 3.277 -12.691 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.524 4.958 -12.227 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.965 4.668 -12.907 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.812 2.371 -12.643 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.717 2.515 -14.039 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.140 1.772 -12.528 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.505 3.808 -10.662 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.179 3.266 -10.469 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.186 5.002 -10.611 1.00 0.00 H new ATOM 750 N LYS A 52 0.192 6.735 -14.113 1.00 0.00 N ATOM 751 CA LYS A 52 -0.808 7.749 -14.425 1.00 0.00 C ATOM 752 C LYS A 52 -1.011 7.868 -15.932 1.00 0.00 C ATOM 753 O LYS A 52 -2.133 7.760 -16.428 1.00 0.00 O ATOM 754 CB LYS A 52 -0.388 9.103 -13.848 1.00 0.00 C ATOM 755 CG LYS A 52 -0.109 9.068 -12.356 1.00 0.00 C ATOM 756 CD LYS A 52 0.963 10.072 -11.965 1.00 0.00 C ATOM 757 CE LYS A 52 0.354 11.359 -11.430 1.00 0.00 C ATOM 758 NZ LYS A 52 -0.449 11.122 -10.199 1.00 0.00 N ATOM 0 H LYS A 52 0.845 7.000 -13.376 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.751 7.444 -13.972 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.505 9.449 -14.368 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.174 9.832 -14.045 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.027 9.282 -11.808 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.208 8.066 -12.068 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.614 9.634 -11.208 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.586 10.296 -12.831 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.148 12.074 -11.214 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.279 11.807 -12.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.448 11.981 -9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.427 10.884 -10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.034 10.335 -9.660 1.00 0.00 H new ATOM 772 N LYS A 53 0.081 8.089 -16.656 1.00 0.00 N ATOM 773 CA LYS A 53 0.023 8.220 -18.107 1.00 0.00 C ATOM 774 C LYS A 53 -0.575 6.969 -18.743 1.00 0.00 C ATOM 775 O LYS A 53 -1.251 7.045 -19.769 1.00 0.00 O ATOM 776 CB LYS A 53 1.423 8.473 -18.673 1.00 0.00 C ATOM 777 CG LYS A 53 1.426 8.837 -20.147 1.00 0.00 C ATOM 778 CD LYS A 53 1.082 10.301 -20.361 1.00 0.00 C ATOM 779 CE LYS A 53 0.409 10.525 -21.706 1.00 0.00 C ATOM 780 NZ LYS A 53 -1.031 10.148 -21.675 1.00 0.00 N ATOM 0 H LYS A 53 1.017 8.181 -16.261 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.618 9.069 -18.345 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.894 9.277 -18.108 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.032 7.581 -18.526 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.407 8.627 -20.572 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.708 8.212 -20.678 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.423 10.641 -19.562 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.990 10.901 -20.303 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.504 11.573 -21.990 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.921 9.940 -22.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.454 10.315 -22.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.121 9.141 -21.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.525 10.724 -20.964 1.00 0.00 H new ATOM 794 N HIS A 54 -0.322 5.819 -18.126 1.00 0.00 N ATOM 795 CA HIS A 54 -0.838 4.551 -18.631 1.00 0.00 C ATOM 796 C HIS A 54 -2.342 4.446 -18.399 1.00 0.00 C ATOM 797 O HIS A 54 -3.109 4.215 -19.334 1.00 0.00 O ATOM 798 CB HIS A 54 -0.122 3.380 -17.957 1.00 0.00 C ATOM 799 CG HIS A 54 -0.718 2.046 -18.284 1.00 0.00 C ATOM 800 ND1 HIS A 54 -0.840 1.571 -19.573 1.00 0.00 N ATOM 801 CD2 HIS A 54 -1.227 1.082 -17.480 1.00 0.00 C ATOM 802 CE1 HIS A 54 -1.399 0.374 -19.548 1.00 0.00 C ATOM 803 NE2 HIS A 54 -1.643 0.054 -18.290 1.00 0.00 N ATOM 0 H HIS A 54 0.237 5.739 -17.276 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.650 4.512 -19.704 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.926 3.384 -18.257 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.145 3.524 -16.877 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.293 1.116 -16.403 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.619 -0.239 -20.410 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.071 -0.815 -17.972 1.00 0.00 H new ATOM 811 N MET A 55 -2.756 4.615 -17.148 1.00 0.00 N ATOM 812 CA MET A 55 -4.169 4.539 -16.794 1.00 0.00 C ATOM 813 C MET A 55 -4.957 5.663 -17.458 1.00 0.00 C ATOM 814 O MET A 55 -6.135 5.503 -17.776 1.00 0.00 O ATOM 815 CB MET A 55 -4.341 4.608 -15.275 1.00 0.00 C ATOM 816 CG MET A 55 -3.798 5.888 -14.660 1.00 0.00 C ATOM 817 SD MET A 55 -4.551 6.265 -13.065 1.00 0.00 S ATOM 818 CE MET A 55 -4.098 4.810 -12.125 1.00 0.00 C ATOM 0 H MET A 55 -2.134 4.805 -16.362 1.00 0.00 H new ATOM 0 HA MET A 55 -4.557 3.586 -17.153 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.400 4.519 -15.033 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.837 3.754 -14.821 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.719 5.798 -14.536 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.972 6.718 -15.345 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.852 4.621 -11.361 1.00 0.00 H new ATOM 0 HE2 MET A 55 -4.035 3.951 -12.793 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.131 4.971 -11.649 1.00 0.00 H new ATOM 828 N GLU A 56 -4.299 6.800 -17.664 1.00 0.00 N ATOM 829 CA GLU A 56 -4.940 7.950 -18.289 1.00 0.00 C ATOM 830 C GLU A 56 -5.631 7.548 -19.590 1.00 0.00 C ATOM 831 O GLU A 56 -6.782 7.907 -19.830 1.00 0.00 O ATOM 832 CB GLU A 56 -3.911 9.049 -18.564 1.00 0.00 C ATOM 833 CG GLU A 56 -3.702 9.994 -17.393 1.00 0.00 C ATOM 834 CD GLU A 56 -4.867 10.943 -17.194 1.00 0.00 C ATOM 835 OE1 GLU A 56 -6.018 10.532 -17.453 1.00 0.00 O ATOM 836 OE2 GLU A 56 -4.629 12.097 -16.780 1.00 0.00 O ATOM 0 H GLU A 56 -3.323 6.949 -17.407 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.694 8.332 -17.600 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.958 8.587 -18.821 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.231 9.625 -19.432 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.553 9.412 -16.484 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.792 10.571 -17.555 1.00 0.00 H new ATOM 843 N ASN A 57 -4.917 6.801 -20.425 1.00 0.00 N ATOM 844 CA ASN A 57 -5.459 6.351 -21.702 1.00 0.00 C ATOM 845 C ASN A 57 -6.025 4.939 -21.585 1.00 0.00 C ATOM 846 O ASN A 57 -7.110 4.649 -22.090 1.00 0.00 O ATOM 847 CB ASN A 57 -4.377 6.391 -22.782 1.00 0.00 C ATOM 848 CG ASN A 57 -3.579 5.103 -22.850 1.00 0.00 C ATOM 849 OD1 ASN A 57 -3.982 4.143 -23.508 1.00 0.00 O ATOM 850 ND2 ASN A 57 -2.441 5.076 -22.167 1.00 0.00 N ATOM 0 H ASN A 57 -3.962 6.494 -20.241 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.268 7.026 -21.983 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.841 6.579 -23.750 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.702 7.224 -22.585 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.862 4.236 -22.174 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.146 5.895 -21.635 1.00 0.00 H new ATOM 857 N CYS A 58 -5.282 4.063 -20.915 1.00 0.00 N ATOM 858 CA CYS A 58 -5.708 2.681 -20.730 1.00 0.00 C ATOM 859 C CYS A 58 -7.163 2.617 -20.274 1.00 0.00 C ATOM 860 O CYS A 58 -8.027 2.106 -20.987 1.00 0.00 O ATOM 861 CB CYS A 58 -4.810 1.981 -19.708 1.00 0.00 C ATOM 862 SG CYS A 58 -5.538 0.475 -18.987 1.00 0.00 S ATOM 0 H CYS A 58 -4.382 4.287 -20.491 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.623 2.169 -21.689 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.866 1.722 -20.187 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.578 2.680 -18.905 1.00 0.00 H new ATOM 867 N LYS A 59 -7.427 3.139 -19.081 1.00 0.00 N ATOM 868 CA LYS A 59 -8.776 3.143 -18.529 1.00 0.00 C ATOM 869 C LYS A 59 -8.827 3.927 -17.222 1.00 0.00 C ATOM 870 O LYS A 59 -7.792 4.215 -16.620 1.00 0.00 O ATOM 871 CB LYS A 59 -9.258 1.709 -18.295 1.00 0.00 C ATOM 872 CG LYS A 59 -10.699 1.621 -17.824 1.00 0.00 C ATOM 873 CD LYS A 59 -11.222 0.196 -17.892 1.00 0.00 C ATOM 874 CE LYS A 59 -12.735 0.164 -18.044 1.00 0.00 C ATOM 875 NZ LYS A 59 -13.287 -1.199 -17.810 1.00 0.00 N ATOM 0 H LYS A 59 -6.724 3.565 -18.478 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.435 3.628 -19.249 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.152 1.143 -19.221 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.613 1.234 -17.556 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.771 1.987 -16.800 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.324 2.269 -18.439 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.760 -0.323 -18.732 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.935 -0.342 -16.988 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.186 0.864 -17.340 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.007 0.499 -19.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.045 -1.389 -18.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.531 -1.904 -17.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.672 -1.257 -16.845 1.00 0.00 H new ATOM 889 N GLN A 60 -10.036 4.268 -16.788 1.00 0.00 N ATOM 890 CA GLN A 60 -10.219 5.019 -15.551 1.00 0.00 C ATOM 891 C GLN A 60 -10.578 4.088 -14.398 1.00 0.00 C ATOM 892 O GLN A 60 -10.739 2.883 -14.588 1.00 0.00 O ATOM 893 CB GLN A 60 -11.311 6.075 -15.728 1.00 0.00 C ATOM 894 CG GLN A 60 -11.080 6.996 -16.915 1.00 0.00 C ATOM 895 CD GLN A 60 -11.955 8.234 -16.873 1.00 0.00 C ATOM 896 OE1 GLN A 60 -12.468 8.610 -15.819 1.00 0.00 O ATOM 897 NE2 GLN A 60 -12.130 8.875 -18.023 1.00 0.00 N ATOM 0 H GLN A 60 -10.903 4.037 -17.274 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.278 5.516 -15.314 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.272 5.575 -15.848 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.375 6.675 -14.820 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.033 7.297 -16.938 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.275 6.449 -17.838 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.686 8.528 -18.873 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.709 9.714 -18.056 1.00 0.00 H new ATOM 906 N GLU A 61 -10.702 4.656 -13.202 1.00 0.00 N ATOM 907 CA GLU A 61 -11.041 3.875 -12.018 1.00 0.00 C ATOM 908 C GLU A 61 -12.227 2.956 -12.294 1.00 0.00 C ATOM 909 O GLU A 61 -12.852 3.031 -13.351 1.00 0.00 O ATOM 910 CB GLU A 61 -11.362 4.802 -10.843 1.00 0.00 C ATOM 911 CG GLU A 61 -12.651 5.586 -11.021 1.00 0.00 C ATOM 912 CD GLU A 61 -12.915 6.542 -9.875 1.00 0.00 C ATOM 913 OE1 GLU A 61 -12.876 6.097 -8.709 1.00 0.00 O ATOM 914 OE2 GLU A 61 -13.161 7.737 -10.144 1.00 0.00 O ATOM 0 H GLU A 61 -10.573 5.653 -13.028 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.179 3.260 -11.761 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.430 4.209 -9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.537 5.501 -10.707 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.604 6.147 -11.954 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.486 4.891 -11.109 1.00 0.00 H new ATOM 921 N MET A 62 -12.532 2.088 -11.334 1.00 0.00 N ATOM 922 CA MET A 62 -13.643 1.154 -11.473 1.00 0.00 C ATOM 923 C MET A 62 -14.896 1.695 -10.790 1.00 0.00 C ATOM 924 O MET A 62 -14.889 2.798 -10.243 1.00 0.00 O ATOM 925 CB MET A 62 -13.272 -0.206 -10.880 1.00 0.00 C ATOM 926 CG MET A 62 -12.514 -1.103 -11.845 1.00 0.00 C ATOM 927 SD MET A 62 -12.420 -2.812 -11.277 1.00 0.00 S ATOM 928 CE MET A 62 -14.111 -3.346 -11.529 1.00 0.00 C ATOM 0 H MET A 62 -12.025 2.012 -10.452 1.00 0.00 H new ATOM 0 HA MET A 62 -13.853 1.033 -12.536 1.00 0.00 H new ATOM 0 HB2 MET A 62 -12.665 -0.051 -9.988 1.00 0.00 H new ATOM 0 HB3 MET A 62 -14.182 -0.715 -10.562 1.00 0.00 H new ATOM 0 HG2 MET A 62 -13.001 -1.075 -12.820 1.00 0.00 H new ATOM 0 HG3 MET A 62 -11.505 -0.713 -11.981 1.00 0.00 H new ATOM 0 HE1 MET A 62 -14.540 -3.658 -10.577 1.00 0.00 H new ATOM 0 HE2 MET A 62 -14.696 -2.522 -11.938 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.128 -4.184 -12.226 1.00 0.00 H new ATOM 938 N PHE A 63 -15.968 0.912 -10.826 1.00 0.00 N ATOM 939 CA PHE A 63 -17.229 1.313 -10.212 1.00 0.00 C ATOM 940 C PHE A 63 -17.849 0.154 -9.437 1.00 0.00 C ATOM 941 O PHE A 63 -17.420 -0.994 -9.563 1.00 0.00 O ATOM 942 CB PHE A 63 -18.206 1.809 -11.279 1.00 0.00 C ATOM 943 CG PHE A 63 -17.575 2.719 -12.293 1.00 0.00 C ATOM 944 CD1 PHE A 63 -16.797 3.793 -11.891 1.00 0.00 C ATOM 945 CD2 PHE A 63 -17.759 2.501 -13.649 1.00 0.00 C ATOM 946 CE1 PHE A 63 -16.214 4.633 -12.822 1.00 0.00 C ATOM 947 CE2 PHE A 63 -17.178 3.337 -14.584 1.00 0.00 C ATOM 948 CZ PHE A 63 -16.406 4.405 -14.170 1.00 0.00 C ATOM 0 H PHE A 63 -15.990 -0.004 -11.274 1.00 0.00 H new ATOM 0 HA PHE A 63 -17.023 2.124 -9.514 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -18.638 0.950 -11.792 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -19.027 2.335 -10.792 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -16.644 3.976 -10.838 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -18.363 1.669 -13.979 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -15.609 5.466 -12.495 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -17.328 3.155 -15.638 1.00 0.00 H new ATOM 0 HZ PHE A 63 -15.953 5.060 -14.899 1.00 0.00 H new ATOM 958 N THR A 64 -18.863 0.462 -8.634 1.00 0.00 N ATOM 959 CA THR A 64 -19.542 -0.552 -7.837 1.00 0.00 C ATOM 960 C THR A 64 -20.945 -0.098 -7.449 1.00 0.00 C ATOM 961 O THR A 64 -21.112 0.845 -6.675 1.00 0.00 O ATOM 962 CB THR A 64 -18.751 -0.885 -6.558 1.00 0.00 C ATOM 963 OG1 THR A 64 -17.360 -1.029 -6.867 1.00 0.00 O ATOM 964 CG2 THR A 64 -19.270 -2.164 -5.918 1.00 0.00 C ATOM 0 H THR A 64 -19.232 1.406 -8.519 1.00 0.00 H new ATOM 0 HA THR A 64 -19.610 -1.446 -8.456 1.00 0.00 H new ATOM 0 HB THR A 64 -18.883 -0.066 -5.851 1.00 0.00 H new ATOM 0 HG1 THR A 64 -17.262 -1.379 -7.777 1.00 0.00 H new ATOM 0 HG21 THR A 64 -18.696 -2.379 -5.017 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.321 -2.040 -5.658 1.00 0.00 H new ATOM 0 HG23 THR A 64 -19.165 -2.991 -6.620 1.00 0.00 H new ATOM 972 N CYS A 65 -21.952 -0.774 -7.992 1.00 0.00 N ATOM 973 CA CYS A 65 -23.341 -0.441 -7.703 1.00 0.00 C ATOM 974 C CYS A 65 -23.571 -0.324 -6.199 1.00 0.00 C ATOM 975 O CYS A 65 -22.774 -0.814 -5.398 1.00 0.00 O ATOM 976 CB CYS A 65 -24.275 -1.500 -8.292 1.00 0.00 C ATOM 977 SG CYS A 65 -25.997 -1.380 -7.709 1.00 0.00 S ATOM 0 H CYS A 65 -21.831 -1.556 -8.635 1.00 0.00 H new ATOM 0 HA CYS A 65 -23.560 0.523 -8.162 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -24.264 -1.415 -9.379 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -23.887 -2.488 -8.046 1.00 0.00 H new ATOM 982 N HIS A 66 -24.667 0.327 -5.822 1.00 0.00 N ATOM 983 CA HIS A 66 -25.003 0.507 -4.414 1.00 0.00 C ATOM 984 C HIS A 66 -26.188 -0.370 -4.021 1.00 0.00 C ATOM 985 O HIS A 66 -26.249 -0.886 -2.905 1.00 0.00 O ATOM 986 CB HIS A 66 -25.323 1.975 -4.128 1.00 0.00 C ATOM 987 CG HIS A 66 -24.113 2.804 -3.825 1.00 0.00 C ATOM 988 ND1 HIS A 66 -23.969 3.529 -2.661 1.00 0.00 N ATOM 989 CD2 HIS A 66 -22.986 3.019 -4.543 1.00 0.00 C ATOM 990 CE1 HIS A 66 -22.807 4.156 -2.676 1.00 0.00 C ATOM 991 NE2 HIS A 66 -22.190 3.863 -3.807 1.00 0.00 N ATOM 0 H HIS A 66 -25.337 0.738 -6.472 1.00 0.00 H new ATOM 0 HA HIS A 66 -24.140 0.208 -3.819 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -25.838 2.400 -4.989 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -26.012 2.031 -3.285 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -22.755 2.605 -5.513 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -22.426 4.799 -1.896 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -21.272 4.207 -4.088 1.00 0.00 H new ATOM 999 N HIS A 67 -27.128 -0.534 -4.946 1.00 0.00 N ATOM 1000 CA HIS A 67 -28.312 -1.349 -4.697 1.00 0.00 C ATOM 1001 C HIS A 67 -27.921 -2.779 -4.336 1.00 0.00 C ATOM 1002 O HIS A 67 -28.261 -3.275 -3.261 1.00 0.00 O ATOM 1003 CB HIS A 67 -29.224 -1.351 -5.924 1.00 0.00 C ATOM 1004 CG HIS A 67 -29.652 0.018 -6.355 1.00 0.00 C ATOM 1005 ND1 HIS A 67 -30.471 0.825 -5.594 1.00 0.00 N ATOM 1006 CD2 HIS A 67 -29.368 0.722 -7.475 1.00 0.00 C ATOM 1007 CE1 HIS A 67 -30.673 1.966 -6.228 1.00 0.00 C ATOM 1008 NE2 HIS A 67 -30.014 1.929 -7.372 1.00 0.00 N ATOM 0 H HIS A 67 -27.093 -0.114 -5.875 1.00 0.00 H new ATOM 0 HA HIS A 67 -28.851 -0.915 -3.855 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -28.706 -1.838 -6.750 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -30.110 -1.948 -5.707 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -28.748 0.395 -8.297 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -31.275 2.789 -5.872 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -29.989 2.676 -8.066 1.00 0.00 H new ATOM 1016 N CYS A 68 -27.206 -3.438 -5.242 1.00 0.00 N ATOM 1017 CA CYS A 68 -26.770 -4.812 -5.021 1.00 0.00 C ATOM 1018 C CYS A 68 -25.293 -4.858 -4.641 1.00 0.00 C ATOM 1019 O CYS A 68 -24.904 -5.553 -3.703 1.00 0.00 O ATOM 1020 CB CYS A 68 -27.012 -5.654 -6.275 1.00 0.00 C ATOM 1021 SG CYS A 68 -26.074 -5.099 -7.735 1.00 0.00 S ATOM 0 H CYS A 68 -26.916 -3.043 -6.136 1.00 0.00 H new ATOM 0 HA CYS A 68 -27.353 -5.224 -4.197 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -26.750 -6.690 -6.060 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -28.076 -5.637 -6.512 1.00 0.00 H new ATOM 1026 N GLY A 69 -24.474 -4.113 -5.377 1.00 0.00 N ATOM 1027 CA GLY A 69 -23.049 -4.084 -5.102 1.00 0.00 C ATOM 1028 C GLY A 69 -22.238 -4.798 -6.165 1.00 0.00 C ATOM 1029 O GLY A 69 -21.194 -5.380 -5.873 1.00 0.00 O ATOM 0 H GLY A 69 -24.772 -3.529 -6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -22.717 -3.048 -5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -22.860 -4.547 -4.133 1.00 0.00 H new ATOM 1033 N LYS A 70 -22.720 -4.755 -7.402 1.00 0.00 N ATOM 1034 CA LYS A 70 -22.034 -5.403 -8.514 1.00 0.00 C ATOM 1035 C LYS A 70 -20.722 -4.693 -8.831 1.00 0.00 C ATOM 1036 O LYS A 70 -20.580 -3.496 -8.587 1.00 0.00 O ATOM 1037 CB LYS A 70 -22.931 -5.419 -9.754 1.00 0.00 C ATOM 1038 CG LYS A 70 -22.710 -6.626 -10.649 1.00 0.00 C ATOM 1039 CD LYS A 70 -23.604 -6.581 -11.877 1.00 0.00 C ATOM 1040 CE LYS A 70 -23.723 -7.949 -12.531 1.00 0.00 C ATOM 1041 NZ LYS A 70 -24.543 -8.885 -11.713 1.00 0.00 N ATOM 0 H LYS A 70 -23.584 -4.278 -7.660 1.00 0.00 H new ATOM 0 HA LYS A 70 -21.810 -6.429 -8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -23.974 -5.398 -9.438 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -22.754 -4.512 -10.332 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.666 -6.664 -10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -22.909 -7.538 -10.087 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -24.594 -6.224 -11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -23.201 -5.867 -12.595 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -24.171 -7.842 -13.519 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -22.728 -8.370 -12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -24.842 -9.689 -12.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -23.978 -9.233 -10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -25.383 -8.388 -11.354 1.00 0.00 H new ATOM 1055 N GLN A 71 -19.768 -5.440 -9.378 1.00 0.00 N ATOM 1056 CA GLN A 71 -18.468 -4.881 -9.729 1.00 0.00 C ATOM 1057 C GLN A 71 -18.052 -5.310 -11.132 1.00 0.00 C ATOM 1058 O GLN A 71 -17.631 -6.448 -11.346 1.00 0.00 O ATOM 1059 CB GLN A 71 -17.410 -5.318 -8.714 1.00 0.00 C ATOM 1060 CG GLN A 71 -17.361 -4.444 -7.472 1.00 0.00 C ATOM 1061 CD GLN A 71 -15.976 -4.375 -6.861 1.00 0.00 C ATOM 1062 OE1 GLN A 71 -15.533 -5.308 -6.191 1.00 0.00 O ATOM 1063 NE2 GLN A 71 -15.283 -3.265 -7.088 1.00 0.00 N ATOM 0 H GLN A 71 -19.871 -6.433 -9.587 1.00 0.00 H new ATOM 0 HA GLN A 71 -18.551 -3.794 -9.711 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.608 -6.348 -8.416 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.432 -5.308 -9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.692 -3.437 -7.728 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -18.061 -4.831 -6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.689 -2.516 -7.649 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -14.345 -3.161 -6.701 1.00 0.00 H new ATOM 1072 N LEU A 72 -18.173 -4.393 -12.086 1.00 0.00 N ATOM 1073 CA LEU A 72 -17.809 -4.677 -13.470 1.00 0.00 C ATOM 1074 C LEU A 72 -16.875 -3.603 -14.018 1.00 0.00 C ATOM 1075 O LEU A 72 -17.144 -2.408 -13.892 1.00 0.00 O ATOM 1076 CB LEU A 72 -19.065 -4.768 -14.339 1.00 0.00 C ATOM 1077 CG LEU A 72 -20.032 -5.904 -14.003 1.00 0.00 C ATOM 1078 CD1 LEU A 72 -21.395 -5.647 -14.628 1.00 0.00 C ATOM 1079 CD2 LEU A 72 -19.472 -7.238 -14.473 1.00 0.00 C ATOM 0 H LEU A 72 -18.520 -3.447 -11.927 1.00 0.00 H new ATOM 0 HA LEU A 72 -17.287 -5.634 -13.494 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -19.604 -3.824 -14.263 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -18.756 -4.876 -15.379 1.00 0.00 H new ATOM 0 HG LEU A 72 -20.152 -5.944 -12.920 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -22.070 -6.466 -14.378 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.801 -4.712 -14.243 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -21.292 -5.579 -15.711 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -20.174 -8.035 -14.225 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -19.321 -7.209 -15.552 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -18.519 -7.427 -13.979 1.00 0.00 H new ATOM 1091 N ARG A 73 -15.777 -4.037 -14.629 1.00 0.00 N ATOM 1092 CA ARG A 73 -14.803 -3.114 -15.198 1.00 0.00 C ATOM 1093 C ARG A 73 -15.441 -2.252 -16.284 1.00 0.00 C ATOM 1094 O ARG A 73 -15.273 -1.032 -16.301 1.00 0.00 O ATOM 1095 CB ARG A 73 -13.615 -3.884 -15.777 1.00 0.00 C ATOM 1096 CG ARG A 73 -13.996 -4.846 -16.890 1.00 0.00 C ATOM 1097 CD ARG A 73 -12.949 -5.934 -17.069 1.00 0.00 C ATOM 1098 NE ARG A 73 -11.839 -5.492 -17.907 1.00 0.00 N ATOM 1099 CZ ARG A 73 -10.925 -6.315 -18.411 1.00 0.00 C ATOM 1100 NH1 ARG A 73 -10.990 -7.615 -18.162 1.00 0.00 N ATOM 1101 NH2 ARG A 73 -9.944 -5.837 -19.165 1.00 0.00 N ATOM 0 H ARG A 73 -15.540 -5.023 -14.742 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.450 -2.461 -14.400 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.883 -3.172 -16.158 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.130 -4.442 -14.976 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.960 -5.301 -16.665 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.114 -4.296 -17.824 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.569 -6.235 -16.093 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.413 -6.813 -17.516 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.760 -4.497 -18.117 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.743 -7.986 -17.582 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.287 -8.244 -18.550 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.890 -4.837 -19.359 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.243 -6.469 -19.551 1.00 0.00 H new ATOM 1115 N SER A 74 -16.173 -2.894 -17.189 1.00 0.00 N ATOM 1116 CA SER A 74 -16.832 -2.187 -18.280 1.00 0.00 C ATOM 1117 C SER A 74 -18.160 -1.594 -17.820 1.00 0.00 C ATOM 1118 O SER A 74 -19.102 -2.321 -17.502 1.00 0.00 O ATOM 1119 CB SER A 74 -17.065 -3.132 -19.461 1.00 0.00 C ATOM 1120 OG SER A 74 -15.838 -3.623 -19.970 1.00 0.00 O ATOM 0 H SER A 74 -16.324 -3.903 -17.188 1.00 0.00 H new ATOM 0 HA SER A 74 -16.181 -1.373 -18.598 1.00 0.00 H new ATOM 0 HB2 SER A 74 -17.691 -3.966 -19.145 1.00 0.00 H new ATOM 0 HB3 SER A 74 -17.606 -2.608 -20.249 1.00 0.00 H new ATOM 0 HG SER A 74 -16.014 -4.226 -20.723 1.00 0.00 H new ATOM 1126 N LEU A 75 -18.228 -0.267 -17.785 1.00 0.00 N ATOM 1127 CA LEU A 75 -19.440 0.426 -17.363 1.00 0.00 C ATOM 1128 C LEU A 75 -20.661 -0.112 -18.102 1.00 0.00 C ATOM 1129 O LEU A 75 -21.692 -0.397 -17.493 1.00 0.00 O ATOM 1130 CB LEU A 75 -19.303 1.930 -17.609 1.00 0.00 C ATOM 1131 CG LEU A 75 -20.513 2.785 -17.232 1.00 0.00 C ATOM 1132 CD1 LEU A 75 -20.704 2.805 -15.724 1.00 0.00 C ATOM 1133 CD2 LEU A 75 -20.356 4.199 -17.771 1.00 0.00 C ATOM 0 H LEU A 75 -17.458 0.350 -18.044 1.00 0.00 H new ATOM 0 HA LEU A 75 -19.577 0.249 -16.296 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -18.440 2.292 -17.051 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -19.088 2.087 -18.666 1.00 0.00 H new ATOM 0 HG LEU A 75 -21.401 2.342 -17.684 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -21.570 3.419 -15.475 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -20.864 1.789 -15.364 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -19.815 3.222 -15.250 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -21.227 4.793 -17.493 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -19.458 4.651 -17.350 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.270 4.167 -18.857 1.00 0.00 H new ATOM 1145 N ALA A 76 -20.536 -0.252 -19.418 1.00 0.00 N ATOM 1146 CA ALA A 76 -21.627 -0.760 -20.240 1.00 0.00 C ATOM 1147 C ALA A 76 -22.308 -1.950 -19.572 1.00 0.00 C ATOM 1148 O ALA A 76 -23.493 -1.896 -19.244 1.00 0.00 O ATOM 1149 CB ALA A 76 -21.113 -1.149 -21.618 1.00 0.00 C ATOM 0 H ALA A 76 -19.689 -0.020 -19.938 1.00 0.00 H new ATOM 0 HA ALA A 76 -22.366 0.034 -20.351 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.939 -1.527 -22.221 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -20.678 -0.276 -22.104 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.353 -1.924 -21.517 1.00 0.00 H new ATOM 1155 N GLY A 77 -21.551 -3.025 -19.374 1.00 0.00 N ATOM 1156 CA GLY A 77 -22.100 -4.214 -18.747 1.00 0.00 C ATOM 1157 C GLY A 77 -22.856 -3.900 -17.472 1.00 0.00 C ATOM 1158 O GLY A 77 -23.940 -4.433 -17.238 1.00 0.00 O ATOM 0 H GLY A 77 -20.568 -3.094 -19.636 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -22.768 -4.715 -19.448 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -21.291 -4.910 -18.524 1.00 0.00 H new ATOM 1162 N MET A 78 -22.282 -3.033 -16.643 1.00 0.00 N ATOM 1163 CA MET A 78 -22.909 -2.650 -15.384 1.00 0.00 C ATOM 1164 C MET A 78 -24.247 -1.959 -15.631 1.00 0.00 C ATOM 1165 O MET A 78 -25.301 -2.469 -15.251 1.00 0.00 O ATOM 1166 CB MET A 78 -21.984 -1.727 -14.589 1.00 0.00 C ATOM 1167 CG MET A 78 -22.689 -0.979 -13.468 1.00 0.00 C ATOM 1168 SD MET A 78 -21.574 0.091 -12.539 1.00 0.00 S ATOM 1169 CE MET A 78 -20.734 -1.109 -11.508 1.00 0.00 C ATOM 0 H MET A 78 -21.384 -2.583 -16.821 1.00 0.00 H new ATOM 0 HA MET A 78 -23.090 -3.556 -14.806 1.00 0.00 H new ATOM 0 HB2 MET A 78 -21.171 -2.317 -14.166 1.00 0.00 H new ATOM 0 HB3 MET A 78 -21.533 -1.005 -15.269 1.00 0.00 H new ATOM 0 HG2 MET A 78 -23.496 -0.379 -13.888 1.00 0.00 H new ATOM 0 HG3 MET A 78 -23.147 -1.698 -12.788 1.00 0.00 H new ATOM 0 HE1 MET A 78 -20.819 -0.813 -10.462 1.00 0.00 H new ATOM 0 HE2 MET A 78 -21.190 -2.090 -11.646 1.00 0.00 H new ATOM 0 HE3 MET A 78 -19.681 -1.155 -11.788 1.00 0.00 H new ATOM 1179 N LYS A 79 -24.197 -0.795 -16.269 1.00 0.00 N ATOM 1180 CA LYS A 79 -25.403 -0.033 -16.568 1.00 0.00 C ATOM 1181 C LYS A 79 -26.535 -0.957 -17.007 1.00 0.00 C ATOM 1182 O LYS A 79 -27.712 -0.621 -16.869 1.00 0.00 O ATOM 1183 CB LYS A 79 -25.121 1.000 -17.661 1.00 0.00 C ATOM 1184 CG LYS A 79 -24.611 2.328 -17.127 1.00 0.00 C ATOM 1185 CD LYS A 79 -24.904 3.466 -18.089 1.00 0.00 C ATOM 1186 CE LYS A 79 -24.987 4.801 -17.365 1.00 0.00 C ATOM 1187 NZ LYS A 79 -23.638 5.374 -17.102 1.00 0.00 N ATOM 0 H LYS A 79 -23.333 -0.358 -16.589 1.00 0.00 H new ATOM 0 HA LYS A 79 -25.711 0.484 -15.659 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -24.387 0.591 -18.355 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -26.035 1.173 -18.230 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -25.076 2.536 -16.163 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -23.537 2.263 -16.955 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -24.124 3.511 -18.849 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -25.843 3.273 -18.607 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -25.569 5.503 -17.962 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -25.516 4.670 -16.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -23.738 6.299 -16.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -23.103 4.732 -16.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -23.129 5.491 -18.001 1.00 0.00 H new ATOM 1201 N TYR A 80 -26.172 -2.120 -17.534 1.00 0.00 N ATOM 1202 CA TYR A 80 -27.157 -3.092 -17.994 1.00 0.00 C ATOM 1203 C TYR A 80 -27.676 -3.933 -16.831 1.00 0.00 C ATOM 1204 O TYR A 80 -28.867 -4.237 -16.753 1.00 0.00 O ATOM 1205 CB TYR A 80 -26.547 -4.001 -19.063 1.00 0.00 C ATOM 1206 CG TYR A 80 -27.548 -4.936 -19.705 1.00 0.00 C ATOM 1207 CD1 TYR A 80 -27.821 -6.180 -19.150 1.00 0.00 C ATOM 1208 CD2 TYR A 80 -28.220 -4.574 -20.866 1.00 0.00 C ATOM 1209 CE1 TYR A 80 -28.734 -7.037 -19.734 1.00 0.00 C ATOM 1210 CE2 TYR A 80 -29.135 -5.424 -21.456 1.00 0.00 C ATOM 1211 CZ TYR A 80 -29.388 -6.655 -20.886 1.00 0.00 C ATOM 1212 OH TYR A 80 -30.299 -7.505 -21.470 1.00 0.00 O ATOM 0 H TYR A 80 -25.202 -2.413 -17.654 1.00 0.00 H new ATOM 0 HA TYR A 80 -27.995 -2.546 -18.427 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -26.091 -3.383 -19.837 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -25.748 -4.591 -18.614 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -27.311 -6.482 -18.247 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -28.024 -3.612 -21.315 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -28.934 -8.001 -19.290 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -29.649 -5.127 -22.358 1.00 0.00 H new ATOM 0 HH TYR A 80 -30.671 -7.084 -22.273 1.00 0.00 H new ATOM 1222 N HIS A 81 -26.774 -4.305 -15.929 1.00 0.00 N ATOM 1223 CA HIS A 81 -27.140 -5.110 -14.769 1.00 0.00 C ATOM 1224 C HIS A 81 -28.315 -4.485 -14.023 1.00 0.00 C ATOM 1225 O HIS A 81 -29.124 -5.188 -13.418 1.00 0.00 O ATOM 1226 CB HIS A 81 -25.944 -5.258 -13.827 1.00 0.00 C ATOM 1227 CG HIS A 81 -25.887 -4.207 -12.762 1.00 0.00 C ATOM 1228 ND1 HIS A 81 -24.868 -3.283 -12.670 1.00 0.00 N ATOM 1229 CD2 HIS A 81 -26.732 -3.936 -11.739 1.00 0.00 C ATOM 1230 CE1 HIS A 81 -25.087 -2.490 -11.637 1.00 0.00 C ATOM 1231 NE2 HIS A 81 -26.212 -2.865 -11.055 1.00 0.00 N ATOM 0 H HIS A 81 -25.785 -4.062 -15.979 1.00 0.00 H new ATOM 0 HA HIS A 81 -27.440 -6.097 -15.122 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -25.983 -6.240 -13.355 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -25.025 -5.221 -14.412 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -27.645 -4.464 -11.505 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -24.454 -1.674 -11.322 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -26.627 -2.430 -10.231 1.00 0.00 H new ATOM 1239 N VAL A 82 -28.402 -3.159 -14.070 1.00 0.00 N ATOM 1240 CA VAL A 82 -29.478 -2.440 -13.399 1.00 0.00 C ATOM 1241 C VAL A 82 -30.820 -2.707 -14.071 1.00 0.00 C ATOM 1242 O VAL A 82 -31.749 -3.216 -13.445 1.00 0.00 O ATOM 1243 CB VAL A 82 -29.216 -0.922 -13.386 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -30.307 -0.198 -12.612 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -27.845 -0.624 -12.798 1.00 0.00 C ATOM 0 H VAL A 82 -27.740 -2.562 -14.566 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.510 -2.805 -12.372 1.00 0.00 H new ATOM 0 HB VAL A 82 -29.232 -0.559 -14.414 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -30.105 0.873 -12.614 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -31.272 -0.386 -13.082 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -30.327 -0.562 -11.585 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -27.676 0.453 -12.796 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.798 -1.000 -11.776 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -27.077 -1.111 -13.400 1.00 0.00 H new ATOM 1255 N MET A 83 -30.914 -2.360 -15.351 1.00 0.00 N ATOM 1256 CA MET A 83 -32.143 -2.564 -16.109 1.00 0.00 C ATOM 1257 C MET A 83 -32.494 -4.046 -16.187 1.00 0.00 C ATOM 1258 O MET A 83 -33.647 -4.409 -16.422 1.00 0.00 O ATOM 1259 CB MET A 83 -31.999 -1.988 -17.519 1.00 0.00 C ATOM 1260 CG MET A 83 -31.779 -0.484 -17.542 1.00 0.00 C ATOM 1261 SD MET A 83 -31.351 0.131 -19.182 1.00 0.00 S ATOM 1262 CE MET A 83 -29.684 -0.502 -19.356 1.00 0.00 C ATOM 0 H MET A 83 -30.154 -1.937 -15.884 1.00 0.00 H new ATOM 0 HA MET A 83 -32.950 -2.044 -15.592 1.00 0.00 H new ATOM 0 HB2 MET A 83 -31.163 -2.477 -18.019 1.00 0.00 H new ATOM 0 HB3 MET A 83 -32.895 -2.225 -18.092 1.00 0.00 H new ATOM 0 HG2 MET A 83 -32.683 0.017 -17.195 1.00 0.00 H new ATOM 0 HG3 MET A 83 -30.984 -0.226 -16.843 1.00 0.00 H new ATOM 0 HE1 MET A 83 -28.990 0.330 -19.476 1.00 0.00 H new ATOM 0 HE2 MET A 83 -29.417 -1.072 -18.466 1.00 0.00 H new ATOM 0 HE3 MET A 83 -29.630 -1.149 -20.232 1.00 0.00 H new ATOM 1272 N ALA A 84 -31.494 -4.898 -15.988 1.00 0.00 N ATOM 1273 CA ALA A 84 -31.698 -6.341 -16.033 1.00 0.00 C ATOM 1274 C ALA A 84 -32.194 -6.867 -14.691 1.00 0.00 C ATOM 1275 O ALA A 84 -33.342 -7.292 -14.567 1.00 0.00 O ATOM 1276 CB ALA A 84 -30.410 -7.044 -16.435 1.00 0.00 C ATOM 0 H ALA A 84 -30.534 -4.614 -15.794 1.00 0.00 H new ATOM 0 HA ALA A 84 -32.462 -6.552 -16.781 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -30.577 -8.121 -16.464 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -30.099 -6.698 -17.421 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -29.630 -6.818 -15.708 1.00 0.00 H new ATOM 1282 N ASN A 85 -31.321 -6.838 -13.690 1.00 0.00 N ATOM 1283 CA ASN A 85 -31.671 -7.314 -12.356 1.00 0.00 C ATOM 1284 C ASN A 85 -32.647 -6.358 -11.676 1.00 0.00 C ATOM 1285 O ASN A 85 -33.723 -6.763 -11.235 1.00 0.00 O ATOM 1286 CB ASN A 85 -30.412 -7.469 -11.501 1.00 0.00 C ATOM 1287 CG ASN A 85 -29.615 -8.707 -11.865 1.00 0.00 C ATOM 1288 OD1 ASN A 85 -29.636 -9.706 -11.146 1.00 0.00 O ATOM 1289 ND2 ASN A 85 -28.906 -8.646 -12.986 1.00 0.00 N ATOM 0 H ASN A 85 -30.366 -6.490 -13.777 1.00 0.00 H new ATOM 0 HA ASN A 85 -32.154 -8.286 -12.459 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -29.783 -6.587 -11.622 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -30.694 -7.518 -10.449 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -28.349 -9.448 -13.282 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -28.918 -7.797 -13.551 1.00 0.00 H new ATOM 1296 N HIS A 86 -32.264 -5.088 -11.596 1.00 0.00 N ATOM 1297 CA HIS A 86 -33.105 -4.074 -10.970 1.00 0.00 C ATOM 1298 C HIS A 86 -34.168 -3.575 -11.944 1.00 0.00 C ATOM 1299 O HIS A 86 -34.413 -2.374 -12.048 1.00 0.00 O ATOM 1300 CB HIS A 86 -32.252 -2.902 -10.484 1.00 0.00 C ATOM 1301 CG HIS A 86 -31.125 -3.314 -9.586 1.00 0.00 C ATOM 1302 ND1 HIS A 86 -31.256 -4.275 -8.607 1.00 0.00 N ATOM 1303 CD2 HIS A 86 -29.842 -2.889 -9.526 1.00 0.00 C ATOM 1304 CE1 HIS A 86 -30.102 -4.423 -7.981 1.00 0.00 C ATOM 1305 NE2 HIS A 86 -29.227 -3.594 -8.520 1.00 0.00 N ATOM 0 H HIS A 86 -31.377 -4.736 -11.957 1.00 0.00 H new ATOM 0 HA HIS A 86 -33.605 -4.529 -10.115 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -31.844 -2.377 -11.348 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -32.889 -2.195 -9.953 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -32.110 -4.791 -8.398 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -29.386 -2.136 -10.152 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -29.908 -5.106 -7.167 1.00 0.00 H new ATOM 1313 N ASN A 87 -34.796 -4.505 -12.656 1.00 0.00 N ATOM 1314 CA ASN A 87 -35.832 -4.159 -13.622 1.00 0.00 C ATOM 1315 C ASN A 87 -37.140 -3.815 -12.916 1.00 0.00 C ATOM 1316 O ASN A 87 -37.964 -4.690 -12.652 1.00 0.00 O ATOM 1317 CB ASN A 87 -36.055 -5.316 -14.598 1.00 0.00 C ATOM 1318 CG ASN A 87 -36.313 -6.630 -13.888 1.00 0.00 C ATOM 1319 OD1 ASN A 87 -35.693 -6.930 -12.867 1.00 0.00 O ATOM 1320 ND2 ASN A 87 -37.233 -7.423 -14.426 1.00 0.00 N ATOM 0 H ASN A 87 -34.605 -5.504 -12.582 1.00 0.00 H new ATOM 0 HA ASN A 87 -35.498 -3.283 -14.178 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -36.901 -5.084 -15.245 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -35.181 -5.419 -15.241 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -37.450 -8.320 -13.992 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -37.723 -7.135 -15.273 1.00 0.00 H new ATOM 1327 N SER A 88 -37.324 -2.533 -12.615 1.00 0.00 N ATOM 1328 CA SER A 88 -38.531 -2.073 -11.938 1.00 0.00 C ATOM 1329 C SER A 88 -39.781 -2.527 -12.685 1.00 0.00 C ATOM 1330 O SER A 88 -40.729 -3.032 -12.084 1.00 0.00 O ATOM 1331 CB SER A 88 -38.522 -0.548 -11.816 1.00 0.00 C ATOM 1332 OG SER A 88 -39.519 -0.103 -10.912 1.00 0.00 O ATOM 0 H SER A 88 -36.653 -1.795 -12.829 1.00 0.00 H new ATOM 0 HA SER A 88 -38.547 -2.511 -10.940 1.00 0.00 H new ATOM 0 HB2 SER A 88 -37.542 -0.213 -11.476 1.00 0.00 H new ATOM 0 HB3 SER A 88 -38.689 -0.101 -12.796 1.00 0.00 H new ATOM 0 HG SER A 88 -39.492 0.875 -10.850 1.00 0.00 H new ATOM 1338 N LEU A 89 -39.775 -2.344 -14.001 1.00 0.00 N ATOM 1339 CA LEU A 89 -40.907 -2.735 -14.833 1.00 0.00 C ATOM 1340 C LEU A 89 -41.239 -4.212 -14.643 1.00 0.00 C ATOM 1341 O LEU A 89 -40.394 -5.090 -14.816 1.00 0.00 O ATOM 1342 CB LEU A 89 -40.604 -2.455 -16.306 1.00 0.00 C ATOM 1343 CG LEU A 89 -40.592 -0.983 -16.720 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -40.047 -0.830 -18.132 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -41.989 -0.388 -16.619 1.00 0.00 C ATOM 0 H LEU A 89 -38.999 -1.927 -14.515 1.00 0.00 H new ATOM 0 HA LEU A 89 -41.771 -2.145 -14.527 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -39.632 -2.887 -16.545 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -41.343 -2.977 -16.914 1.00 0.00 H new ATOM 0 HG LEU A 89 -39.937 -0.440 -16.038 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -40.046 0.224 -18.409 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -39.029 -1.217 -18.173 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -40.675 -1.387 -18.827 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -41.961 0.660 -16.918 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -42.666 -0.934 -17.276 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -42.343 -0.463 -15.591 1.00 0.00 H new ATOM 1357 N PRO A 90 -42.499 -4.493 -14.280 1.00 0.00 N ATOM 1358 CA PRO A 90 -42.973 -5.863 -14.061 1.00 0.00 C ATOM 1359 C PRO A 90 -43.064 -6.659 -15.359 1.00 0.00 C ATOM 1360 O PRO A 90 -42.925 -6.105 -16.449 1.00 0.00 O ATOM 1361 CB PRO A 90 -44.365 -5.665 -13.456 1.00 0.00 C ATOM 1362 CG PRO A 90 -44.806 -4.330 -13.949 1.00 0.00 C ATOM 1363 CD PRO A 90 -43.559 -3.496 -14.056 1.00 0.00 C ATOM 0 HA PRO A 90 -42.295 -6.432 -13.425 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -45.050 -6.451 -13.774 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -44.331 -5.693 -12.367 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -45.303 -4.415 -14.916 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -45.521 -3.877 -13.262 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -43.621 -2.784 -14.879 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -43.382 -2.919 -13.148 1.00 0.00 H new ATOM 1371 N SER A 91 -43.300 -7.961 -15.233 1.00 0.00 N ATOM 1372 CA SER A 91 -43.407 -8.834 -16.397 1.00 0.00 C ATOM 1373 C SER A 91 -44.791 -9.471 -16.472 1.00 0.00 C ATOM 1374 O SER A 91 -45.479 -9.370 -17.487 1.00 0.00 O ATOM 1375 CB SER A 91 -42.334 -9.923 -16.344 1.00 0.00 C ATOM 1376 OG SER A 91 -42.347 -10.709 -17.523 1.00 0.00 O ATOM 0 H SER A 91 -43.421 -8.435 -14.338 1.00 0.00 H new ATOM 0 HA SER A 91 -43.256 -8.228 -17.290 1.00 0.00 H new ATOM 0 HB2 SER A 91 -41.353 -9.465 -16.219 1.00 0.00 H new ATOM 0 HB3 SER A 91 -42.501 -10.561 -15.476 1.00 0.00 H new ATOM 0 HG SER A 91 -41.651 -11.397 -17.465 1.00 0.00 H new ATOM 1382 N GLY A 92 -45.193 -10.128 -15.389 1.00 0.00 N ATOM 1383 CA GLY A 92 -46.493 -10.773 -15.352 1.00 0.00 C ATOM 1384 C GLY A 92 -46.531 -11.949 -14.396 1.00 0.00 C ATOM 1385 O GLY A 92 -45.606 -12.760 -14.340 1.00 0.00 O ATOM 0 H GLY A 92 -44.642 -10.225 -14.536 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -47.248 -10.044 -15.057 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -46.754 -11.115 -16.354 1.00 0.00 H new ATOM 1389 N PRO A 93 -47.619 -12.051 -13.620 1.00 0.00 N ATOM 1390 CA PRO A 93 -47.799 -13.132 -12.646 1.00 0.00 C ATOM 1391 C PRO A 93 -48.029 -14.483 -13.315 1.00 0.00 C ATOM 1392 O PRO A 93 -48.071 -14.579 -14.542 1.00 0.00 O ATOM 1393 CB PRO A 93 -49.044 -12.703 -11.865 1.00 0.00 C ATOM 1394 CG PRO A 93 -49.797 -11.826 -12.805 1.00 0.00 C ATOM 1395 CD PRO A 93 -48.760 -11.119 -13.633 1.00 0.00 C ATOM 0 HA PRO A 93 -46.915 -13.270 -12.023 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -49.640 -13.565 -11.565 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -48.775 -12.168 -10.954 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -50.466 -12.413 -13.435 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -50.416 -11.112 -12.262 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -49.114 -10.932 -14.647 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -48.494 -10.153 -13.205 1.00 0.00 H new ATOM 1403 N SER A 94 -48.179 -15.523 -12.502 1.00 0.00 N ATOM 1404 CA SER A 94 -48.402 -16.869 -13.016 1.00 0.00 C ATOM 1405 C SER A 94 -49.522 -17.565 -12.250 1.00 0.00 C ATOM 1406 O SER A 94 -49.547 -17.554 -11.019 1.00 0.00 O ATOM 1407 CB SER A 94 -47.116 -17.693 -12.922 1.00 0.00 C ATOM 1408 OG SER A 94 -46.696 -17.831 -11.576 1.00 0.00 O ATOM 0 H SER A 94 -48.150 -15.460 -11.484 1.00 0.00 H new ATOM 0 HA SER A 94 -48.698 -16.787 -14.062 1.00 0.00 H new ATOM 0 HB2 SER A 94 -47.279 -18.679 -13.358 1.00 0.00 H new ATOM 0 HB3 SER A 94 -46.329 -17.213 -13.504 1.00 0.00 H new ATOM 0 HG SER A 94 -47.466 -17.720 -10.980 1.00 0.00 H new ATOM 1414 N SER A 95 -50.449 -18.170 -12.987 1.00 0.00 N ATOM 1415 CA SER A 95 -51.575 -18.867 -12.378 1.00 0.00 C ATOM 1416 C SER A 95 -52.188 -19.866 -13.356 1.00 0.00 C ATOM 1417 O SER A 95 -52.058 -19.722 -14.570 1.00 0.00 O ATOM 1418 CB SER A 95 -52.637 -17.865 -11.922 1.00 0.00 C ATOM 1419 OG SER A 95 -52.240 -17.209 -10.730 1.00 0.00 O ATOM 0 H SER A 95 -50.442 -18.191 -14.007 1.00 0.00 H new ATOM 0 HA SER A 95 -51.206 -19.414 -11.510 1.00 0.00 H new ATOM 0 HB2 SER A 95 -52.807 -17.128 -12.707 1.00 0.00 H new ATOM 0 HB3 SER A 95 -53.583 -18.382 -11.759 1.00 0.00 H new ATOM 0 HG SER A 95 -51.283 -17.355 -10.579 1.00 0.00 H new ATOM 1425 N GLY A 96 -52.858 -20.879 -12.815 1.00 0.00 N ATOM 1426 CA GLY A 96 -53.481 -21.887 -13.652 1.00 0.00 C ATOM 1427 C GLY A 96 -53.728 -23.186 -12.910 1.00 0.00 C ATOM 1428 O GLY A 96 -53.014 -23.471 -11.949 1.00 0.00 O ATOM 0 H GLY A 96 -52.980 -21.019 -11.812 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -54.428 -21.504 -14.033 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -52.845 -22.081 -14.516 1.00 0.00 H new TER 1432 GLY A 96 HETATM 1433 ZN ZN A 201 -3.855 -0.443 -17.664 1.00 0.00 ZN HETATM 1434 ZN ZN A 401 -26.952 -3.244 -8.832 1.00 0.00 ZN