USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1023 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 105 GLN : amide:sc= -8.26! C(o=-20!,f=-30!) USER MOD Set 1.2: A 107 ASN :FLIP amide:sc= -11.6! C(o=-21!,f=-20!) USER MOD Set 2.1: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 116 GLN :FLIP amide:sc= -3.01 F(o=-7.4!,f=-3) USER MOD Set 3.1: A 27 GLN : amide:sc= -2.53! C(o=-5.2!,f=-8.4!) USER MOD Set 3.2: A 38 SER OG : rot -12:sc= 0.597! USER MOD Set 3.3: A 62 HIS : no HE2:sc= -3.23! C(o=-5.2!,f=-12!) USER MOD Single : A 8 GLN : amide:sc= -2.64 K(o=-2.6,f=-5.6!) USER MOD Single : A 9 SER OG : rot -88:sc= -0.0635 USER MOD Single : A 13 GLN : amide:sc= -2.19! X(o=-2.2!,f=-2) USER MOD Single : A 15 THR OG1 : rot -12:sc= 0.241 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.189 USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc=-0.00214 K(o=-0.0021,f=-1.2) USER MOD Single : A 53 GLN : amide:sc= -1.69 X(o=-1.7,f=-2.1) USER MOD Single : A 55 HIS : no HE2:sc= -2.36 K(o=-2.4,f=-9.6!) USER MOD Single : A 60 TYR OH : rot 30:sc=-0.00295 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -170:sc= 0.181 USER MOD Single : A 73 SER OG : rot 180:sc= -0.131 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -165:sc= -0.0284 (180deg=-0.287) USER MOD Single : A 85 MET CE :methyl 138:sc= -0.239 (180deg=-1.2) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -30:sc= 0.385 USER MOD Single : A 108 THR OG1 : rot -170:sc= 0.0311 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 123 THR OG1 : rot 122:sc= 0.747 USER MOD Single : A 125 THR OG1 : rot 105:sc= 1.18 USER MOD Single : A 128 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.36) USER MOD Single : A 134 CYS SG : rot 65:sc= -1.06! USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 HIS : no HD1:sc= -0.663 X(o=-0.66,f=-0.49) USER MOD Single : A 153 THR OG1 : rot 180:sc= -0.0239 USER MOD Single : A 154 CYS SG : rot 180:sc= -1.74! USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 7 -11.278 10.581 -5.044 1.00 1.00 N ATOM 79 CA ASP A 7 -10.094 9.853 -5.478 1.00 1.00 C ATOM 80 C ASP A 7 -9.437 9.163 -4.289 1.00 1.00 C ATOM 81 O ASP A 7 -9.677 9.526 -3.138 1.00 1.00 O ATOM 82 CB ASP A 7 -9.100 10.814 -6.134 1.00 1.00 C ATOM 83 CG ASP A 7 -8.041 10.025 -6.897 1.00 1.00 C ATOM 84 OD1 ASP A 7 -8.070 8.808 -6.826 1.00 1.00 O ATOM 85 OD2 ASP A 7 -7.218 10.651 -7.544 1.00 1.00 O ATOM 0 HA ASP A 7 -10.393 9.098 -6.205 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -9.625 11.486 -6.813 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -8.626 11.435 -5.374 1.00 1.00 H new ATOM 90 N GLN A 8 -8.602 8.175 -4.576 1.00 1.00 N ATOM 91 CA GLN A 8 -7.908 7.451 -3.519 1.00 1.00 C ATOM 92 C GLN A 8 -6.826 8.331 -2.889 1.00 1.00 C ATOM 93 O GLN A 8 -6.708 8.421 -1.668 1.00 1.00 O ATOM 94 CB GLN A 8 -7.253 6.186 -4.089 1.00 1.00 C ATOM 95 CG GLN A 8 -8.296 5.325 -4.811 1.00 1.00 C ATOM 96 CD GLN A 8 -9.372 4.851 -3.844 1.00 1.00 C ATOM 97 OE1 GLN A 8 -9.198 4.921 -2.631 1.00 1.00 O ATOM 98 NE2 GLN A 8 -10.480 4.355 -4.314 1.00 1.00 N ATOM 0 H GLN A 8 -8.389 7.858 -5.522 1.00 1.00 H new ATOM 0 HA GLN A 8 -8.638 7.176 -2.758 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -6.457 6.461 -4.781 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -6.792 5.613 -3.284 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -8.753 5.899 -5.617 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -7.809 4.465 -5.270 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -10.625 4.296 -5.322 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -11.203 4.025 -3.674 1.00 1.00 H new ATOM 107 N SER A 9 -6.016 8.956 -3.741 1.00 1.00 N ATOM 108 CA SER A 9 -4.916 9.801 -3.269 1.00 1.00 C ATOM 109 C SER A 9 -5.409 10.835 -2.264 1.00 1.00 C ATOM 110 O SER A 9 -4.793 11.031 -1.215 1.00 1.00 O ATOM 111 CB SER A 9 -4.258 10.522 -4.448 1.00 1.00 C ATOM 112 OG SER A 9 -5.219 11.339 -5.103 1.00 1.00 O ATOM 0 H SER A 9 -6.098 8.895 -4.756 1.00 1.00 H new ATOM 0 HA SER A 9 -4.188 9.154 -2.780 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.426 11.132 -4.096 1.00 1.00 H new ATOM 0 HB3 SER A 9 -3.846 9.795 -5.148 1.00 1.00 H new ATOM 0 HG SER A 9 -5.683 10.813 -5.788 1.00 1.00 H new ATOM 118 N VAL A 10 -6.518 11.495 -2.581 1.00 1.00 N ATOM 119 CA VAL A 10 -7.066 12.500 -1.681 1.00 1.00 C ATOM 120 C VAL A 10 -7.462 11.854 -0.356 1.00 1.00 C ATOM 121 O VAL A 10 -7.122 12.348 0.719 1.00 1.00 O ATOM 122 CB VAL A 10 -8.294 13.150 -2.329 1.00 1.00 C ATOM 123 CG1 VAL A 10 -8.981 14.082 -1.330 1.00 1.00 C ATOM 124 CG2 VAL A 10 -7.853 13.956 -3.556 1.00 1.00 C ATOM 0 H VAL A 10 -7.048 11.355 -3.441 1.00 1.00 H new ATOM 0 HA VAL A 10 -6.310 13.262 -1.490 1.00 1.00 H new ATOM 0 HB VAL A 10 -8.994 12.371 -2.631 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -9.852 14.539 -1.799 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -9.297 13.511 -0.457 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -8.284 14.861 -1.021 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -8.724 14.420 -4.019 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -7.150 14.730 -3.249 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -7.371 13.292 -4.273 1.00 1.00 H new ATOM 134 N ALA A 11 -8.199 10.752 -0.450 1.00 1.00 N ATOM 135 CA ALA A 11 -8.667 10.047 0.734 1.00 1.00 C ATOM 136 C ALA A 11 -7.541 9.883 1.747 1.00 1.00 C ATOM 137 O ALA A 11 -7.719 10.166 2.930 1.00 1.00 O ATOM 138 CB ALA A 11 -9.209 8.667 0.349 1.00 1.00 C ATOM 0 H ALA A 11 -8.484 10.330 -1.334 1.00 1.00 H new ATOM 0 HA ALA A 11 -9.464 10.638 1.185 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -9.556 8.150 1.244 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -10.039 8.784 -0.348 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -8.418 8.084 -0.123 1.00 1.00 H new ATOM 144 N ILE A 12 -6.386 9.420 1.282 1.00 1.00 N ATOM 145 CA ILE A 12 -5.255 9.224 2.174 1.00 1.00 C ATOM 146 C ILE A 12 -4.738 10.566 2.694 1.00 1.00 C ATOM 147 O ILE A 12 -4.495 10.737 3.889 1.00 1.00 O ATOM 148 CB ILE A 12 -4.132 8.482 1.440 1.00 1.00 C ATOM 149 CG1 ILE A 12 -4.685 7.197 0.801 1.00 1.00 C ATOM 150 CG2 ILE A 12 -3.013 8.130 2.424 1.00 1.00 C ATOM 151 CD1 ILE A 12 -5.407 6.335 1.849 1.00 1.00 C ATOM 0 H ILE A 12 -6.211 9.177 0.307 1.00 1.00 H new ATOM 0 HA ILE A 12 -5.586 8.627 3.024 1.00 1.00 H new ATOM 0 HB ILE A 12 -3.732 9.127 0.657 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -5.374 7.453 -0.004 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -3.870 6.628 0.354 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -2.218 7.603 1.897 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -2.614 9.044 2.863 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -3.410 7.492 3.213 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -5.790 5.431 1.375 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -4.708 6.062 2.640 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -6.236 6.900 2.276 1.00 1.00 H new ATOM 163 N GLN A 13 -4.540 11.500 1.773 1.00 1.00 N ATOM 164 CA GLN A 13 -4.020 12.806 2.132 1.00 1.00 C ATOM 165 C GLN A 13 -4.789 13.388 3.318 1.00 1.00 C ATOM 166 O GLN A 13 -4.183 13.875 4.276 1.00 1.00 O ATOM 167 CB GLN A 13 -4.112 13.763 0.931 1.00 1.00 C ATOM 168 CG GLN A 13 -3.011 14.824 1.034 1.00 1.00 C ATOM 169 CD GLN A 13 -1.686 14.263 0.524 1.00 1.00 C ATOM 170 OE1 GLN A 13 -1.563 13.946 -0.659 1.00 1.00 O ATOM 171 NE2 GLN A 13 -0.685 14.111 1.352 1.00 1.00 N ATOM 0 H GLN A 13 -4.731 11.376 0.779 1.00 1.00 H new ATOM 0 HA GLN A 13 -2.975 12.690 2.418 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -4.008 13.206 0.000 1.00 1.00 H new ATOM 0 HB3 GLN A 13 -5.091 14.241 0.908 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -3.289 15.704 0.454 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -2.903 15.146 2.070 1.00 1.00 H new ATOM 0 HE21 GLN A 13 -0.789 14.374 2.332 1.00 1.00 H new ATOM 0 HE22 GLN A 13 0.200 13.729 1.018 1.00 1.00 H new ATOM 180 N GLU A 14 -6.119 13.355 3.252 1.00 1.00 N ATOM 181 CA GLU A 14 -6.942 13.897 4.331 1.00 1.00 C ATOM 182 C GLU A 14 -6.756 13.089 5.613 1.00 1.00 C ATOM 183 O GLU A 14 -6.575 13.647 6.694 1.00 1.00 O ATOM 184 CB GLU A 14 -8.417 13.852 3.923 1.00 1.00 C ATOM 185 CG GLU A 14 -8.652 14.803 2.750 1.00 1.00 C ATOM 186 CD GLU A 14 -10.096 14.691 2.273 1.00 1.00 C ATOM 187 OE1 GLU A 14 -10.829 13.905 2.849 1.00 1.00 O ATOM 188 OE2 GLU A 14 -10.445 15.394 1.340 1.00 1.00 O ATOM 0 H GLU A 14 -6.645 12.963 2.471 1.00 1.00 H new ATOM 0 HA GLU A 14 -6.634 14.926 4.514 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -8.697 12.836 3.643 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -9.047 14.135 4.766 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -8.438 15.828 3.053 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -7.970 14.563 1.934 1.00 1.00 H new ATOM 195 N THR A 15 -6.817 11.772 5.476 1.00 1.00 N ATOM 196 CA THR A 15 -6.669 10.880 6.623 1.00 1.00 C ATOM 197 C THR A 15 -5.243 10.904 7.174 1.00 1.00 C ATOM 198 O THR A 15 -5.033 10.675 8.362 1.00 1.00 O ATOM 199 CB THR A 15 -7.024 9.443 6.229 1.00 1.00 C ATOM 200 OG1 THR A 15 -6.117 8.997 5.233 1.00 1.00 O ATOM 201 CG2 THR A 15 -8.455 9.383 5.684 1.00 1.00 C ATOM 0 H THR A 15 -6.967 11.296 4.586 1.00 1.00 H new ATOM 0 HA THR A 15 -7.350 11.234 7.397 1.00 1.00 H new ATOM 0 HB THR A 15 -6.955 8.801 7.107 1.00 1.00 H new ATOM 0 HG1 THR A 15 -5.606 9.760 4.891 1.00 1.00 H new ATOM 0 HG21 THR A 15 -8.696 8.357 5.407 1.00 1.00 H new ATOM 0 HG22 THR A 15 -9.151 9.725 6.450 1.00 1.00 H new ATOM 0 HG23 THR A 15 -8.537 10.024 4.806 1.00 1.00 H new ATOM 209 N LEU A 16 -4.264 11.144 6.304 1.00 1.00 N ATOM 210 CA LEU A 16 -2.864 11.151 6.732 1.00 1.00 C ATOM 211 C LEU A 16 -2.647 12.154 7.870 1.00 1.00 C ATOM 212 O LEU A 16 -3.252 12.034 8.934 1.00 1.00 O ATOM 213 CB LEU A 16 -1.960 11.487 5.531 1.00 1.00 C ATOM 214 CG LEU A 16 -0.480 11.163 5.832 1.00 1.00 C ATOM 215 CD1 LEU A 16 -0.302 9.664 6.157 1.00 1.00 C ATOM 216 CD2 LEU A 16 0.359 11.525 4.599 1.00 1.00 C ATOM 0 H LEU A 16 -4.409 11.334 5.312 1.00 1.00 H new ATOM 0 HA LEU A 16 -2.604 10.161 7.108 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -2.287 10.922 4.658 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -2.060 12.544 5.283 1.00 1.00 H new ATOM 0 HG LEU A 16 -0.155 11.740 6.698 1.00 1.00 H new ATOM 0 HD11 LEU A 16 0.748 9.459 6.366 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -0.902 9.407 7.030 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -0.626 9.066 5.305 1.00 1.00 H new ATOM 0 HD21 LEU A 16 1.408 11.302 4.795 1.00 1.00 H new ATOM 0 HD22 LEU A 16 0.018 10.943 3.743 1.00 1.00 H new ATOM 0 HD23 LEU A 16 0.248 12.587 4.382 1.00 1.00 H new ATOM 228 N VAL A 17 -1.792 13.142 7.646 1.00 1.00 N ATOM 229 CA VAL A 17 -1.522 14.154 8.657 1.00 1.00 C ATOM 230 C VAL A 17 -0.712 15.282 8.037 1.00 1.00 C ATOM 231 O VAL A 17 0.078 15.055 7.121 1.00 1.00 O ATOM 232 CB VAL A 17 -0.778 13.547 9.852 1.00 1.00 C ATOM 233 CG1 VAL A 17 0.494 12.830 9.380 1.00 1.00 C ATOM 234 CG2 VAL A 17 -0.411 14.670 10.828 1.00 1.00 C ATOM 0 H VAL A 17 -1.275 13.264 6.775 1.00 1.00 H new ATOM 0 HA VAL A 17 -2.468 14.551 9.024 1.00 1.00 H new ATOM 0 HB VAL A 17 -1.420 12.819 10.348 1.00 1.00 H new ATOM 0 HG11 VAL A 17 1.012 12.404 10.239 1.00 1.00 H new ATOM 0 HG12 VAL A 17 0.226 12.033 8.686 1.00 1.00 H new ATOM 0 HG13 VAL A 17 1.149 13.543 8.879 1.00 1.00 H new ATOM 0 HG21 VAL A 17 0.119 14.250 11.683 1.00 1.00 H new ATOM 0 HG22 VAL A 17 0.229 15.395 10.325 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -1.319 15.165 11.172 1.00 1.00 H new ATOM 244 N GLU A 18 -0.925 16.500 8.512 1.00 1.00 N ATOM 245 CA GLU A 18 -0.220 17.645 7.958 1.00 1.00 C ATOM 246 C GLU A 18 1.281 17.582 8.238 1.00 1.00 C ATOM 247 O GLU A 18 1.720 17.762 9.373 1.00 1.00 O ATOM 248 CB GLU A 18 -0.794 18.929 8.552 1.00 1.00 C ATOM 249 CG GLU A 18 -2.224 19.127 8.049 1.00 1.00 C ATOM 250 CD GLU A 18 -2.838 20.356 8.711 1.00 1.00 C ATOM 251 OE1 GLU A 18 -2.147 20.989 9.492 1.00 1.00 O ATOM 252 OE2 GLU A 18 -3.987 20.645 8.427 1.00 1.00 O ATOM 0 H GLU A 18 -1.572 16.719 9.270 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.358 17.631 6.877 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -0.784 18.875 9.641 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -0.176 19.781 8.269 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.225 19.247 6.966 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -2.823 18.244 8.272 1.00 1.00 H new ATOM 259 N GLY A 19 2.068 17.337 7.186 1.00 1.00 N ATOM 260 CA GLY A 19 3.526 17.273 7.326 1.00 1.00 C ATOM 261 C GLY A 19 4.141 16.214 6.417 1.00 1.00 C ATOM 262 O GLY A 19 5.290 16.345 5.996 1.00 1.00 O ATOM 0 H GLY A 19 1.725 17.181 6.238 1.00 1.00 H new ATOM 0 HA2 GLY A 19 3.956 18.247 7.091 1.00 1.00 H new ATOM 0 HA3 GLY A 19 3.781 17.054 8.363 1.00 1.00 H new ATOM 266 N GLU A 20 3.382 15.163 6.121 1.00 1.00 N ATOM 267 CA GLU A 20 3.878 14.086 5.260 1.00 1.00 C ATOM 268 C GLU A 20 3.480 14.311 3.807 1.00 1.00 C ATOM 269 O GLU A 20 2.904 15.339 3.458 1.00 1.00 O ATOM 270 CB GLU A 20 3.344 12.736 5.747 1.00 1.00 C ATOM 271 CG GLU A 20 4.092 12.325 7.020 1.00 1.00 C ATOM 272 CD GLU A 20 3.497 11.039 7.578 1.00 1.00 C ATOM 273 OE1 GLU A 20 2.561 10.537 6.978 1.00 1.00 O ATOM 274 OE2 GLU A 20 3.987 10.575 8.592 1.00 1.00 O ATOM 0 H GLU A 20 2.429 15.031 6.460 1.00 1.00 H new ATOM 0 HA GLU A 20 4.967 14.085 5.315 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.275 12.805 5.946 1.00 1.00 H new ATOM 0 HB3 GLU A 20 3.476 11.979 4.974 1.00 1.00 H new ATOM 0 HG2 GLU A 20 5.150 12.181 6.800 1.00 1.00 H new ATOM 0 HG3 GLU A 20 4.026 13.119 7.764 1.00 1.00 H new ATOM 281 N TYR A 21 3.829 13.345 2.957 1.00 1.00 N ATOM 282 CA TYR A 21 3.546 13.443 1.525 1.00 1.00 C ATOM 283 C TYR A 21 3.066 12.113 0.959 1.00 1.00 C ATOM 284 O TYR A 21 3.780 11.112 1.018 1.00 1.00 O ATOM 285 CB TYR A 21 4.828 13.848 0.798 1.00 1.00 C ATOM 286 CG TYR A 21 4.533 14.186 -0.641 1.00 1.00 C ATOM 287 CD1 TYR A 21 4.205 15.498 -1.002 1.00 1.00 C ATOM 288 CD2 TYR A 21 4.602 13.187 -1.618 1.00 1.00 C ATOM 289 CE1 TYR A 21 3.944 15.810 -2.340 1.00 1.00 C ATOM 290 CE2 TYR A 21 4.343 13.498 -2.956 1.00 1.00 C ATOM 291 CZ TYR A 21 4.013 14.810 -3.317 1.00 1.00 C ATOM 292 OH TYR A 21 3.756 15.117 -4.638 1.00 1.00 O ATOM 0 H TYR A 21 4.307 12.488 3.234 1.00 1.00 H new ATOM 0 HA TYR A 21 2.759 14.184 1.381 1.00 1.00 H new ATOM 0 HB2 TYR A 21 5.279 14.707 1.295 1.00 1.00 H new ATOM 0 HB3 TYR A 21 5.553 13.035 0.846 1.00 1.00 H new ATOM 0 HD1 TYR A 21 4.154 16.269 -0.248 1.00 1.00 H new ATOM 0 HD2 TYR A 21 4.855 12.175 -1.338 1.00 1.00 H new ATOM 0 HE1 TYR A 21 3.689 16.822 -2.619 1.00 1.00 H new ATOM 0 HE2 TYR A 21 4.397 12.727 -3.710 1.00 1.00 H new ATOM 0 HH TYR A 21 3.848 14.309 -5.185 1.00 1.00 H new ATOM 302 N CYS A 22 1.881 12.121 0.360 1.00 1.00 N ATOM 303 CA CYS A 22 1.352 10.918 -0.270 1.00 1.00 C ATOM 304 C CYS A 22 1.816 10.912 -1.716 1.00 1.00 C ATOM 305 O CYS A 22 1.878 11.964 -2.357 1.00 1.00 O ATOM 306 CB CYS A 22 -0.175 10.889 -0.191 1.00 1.00 C ATOM 307 SG CYS A 22 -0.819 9.629 -1.318 1.00 1.00 S ATOM 0 H CYS A 22 1.274 12.938 0.297 1.00 1.00 H new ATOM 0 HA CYS A 22 1.717 10.031 0.248 1.00 1.00 H new ATOM 0 HB2 CYS A 22 -0.492 10.674 0.830 1.00 1.00 H new ATOM 0 HB3 CYS A 22 -0.581 11.866 -0.452 1.00 1.00 H new ATOM 0 HG CYS A 22 -2.117 9.605 -1.247 1.00 1.00 H new ATOM 313 N VAL A 23 2.164 9.742 -2.232 1.00 1.00 N ATOM 314 CA VAL A 23 2.649 9.630 -3.609 1.00 1.00 C ATOM 315 C VAL A 23 1.589 9.055 -4.537 1.00 1.00 C ATOM 316 O VAL A 23 1.366 9.572 -5.632 1.00 1.00 O ATOM 317 CB VAL A 23 3.870 8.708 -3.639 1.00 1.00 C ATOM 318 CG1 VAL A 23 4.487 8.700 -5.044 1.00 1.00 C ATOM 319 CG2 VAL A 23 4.903 9.204 -2.629 1.00 1.00 C ATOM 0 H VAL A 23 2.122 8.858 -1.725 1.00 1.00 H new ATOM 0 HA VAL A 23 2.904 10.632 -3.954 1.00 1.00 H new ATOM 0 HB VAL A 23 3.562 7.695 -3.381 1.00 1.00 H new ATOM 0 HG11 VAL A 23 5.355 8.041 -5.056 1.00 1.00 H new ATOM 0 HG12 VAL A 23 3.750 8.342 -5.763 1.00 1.00 H new ATOM 0 HG13 VAL A 23 4.795 9.711 -5.312 1.00 1.00 H new ATOM 0 HG21 VAL A 23 5.774 8.549 -2.648 1.00 1.00 H new ATOM 0 HG22 VAL A 23 5.206 10.219 -2.887 1.00 1.00 H new ATOM 0 HG23 VAL A 23 4.467 9.199 -1.630 1.00 1.00 H new ATOM 329 N ILE A 24 0.950 7.977 -4.109 1.00 1.00 N ATOM 330 CA ILE A 24 -0.062 7.342 -4.938 1.00 1.00 C ATOM 331 C ILE A 24 -0.860 6.326 -4.128 1.00 1.00 C ATOM 332 O ILE A 24 -0.303 5.388 -3.557 1.00 1.00 O ATOM 333 CB ILE A 24 0.629 6.675 -6.142 1.00 1.00 C ATOM 334 CG1 ILE A 24 -0.359 5.775 -6.904 1.00 1.00 C ATOM 335 CG2 ILE A 24 1.819 5.834 -5.660 1.00 1.00 C ATOM 336 CD1 ILE A 24 -1.615 6.564 -7.290 1.00 1.00 C ATOM 0 H ILE A 24 1.111 7.529 -3.207 1.00 1.00 H new ATOM 0 HA ILE A 24 -0.765 8.092 -5.300 1.00 1.00 H new ATOM 0 HB ILE A 24 0.982 7.458 -6.814 1.00 1.00 H new ATOM 0 HG12 ILE A 24 0.118 5.378 -7.800 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -0.634 4.921 -6.285 1.00 1.00 H new ATOM 0 HG21 ILE A 24 2.304 5.365 -6.516 1.00 1.00 H new ATOM 0 HG22 ILE A 24 2.534 6.476 -5.146 1.00 1.00 H new ATOM 0 HG23 ILE A 24 1.466 5.063 -4.975 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -2.303 5.912 -7.828 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -2.100 6.939 -6.389 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -1.336 7.403 -7.928 1.00 1.00 H new ATOM 348 N ALA A 25 -2.176 6.515 -4.087 1.00 1.00 N ATOM 349 CA ALA A 25 -3.056 5.609 -3.353 1.00 1.00 C ATOM 350 C ALA A 25 -3.696 4.623 -4.314 1.00 1.00 C ATOM 351 O ALA A 25 -3.561 4.747 -5.531 1.00 1.00 O ATOM 352 CB ALA A 25 -4.138 6.407 -2.633 1.00 1.00 C ATOM 0 H ALA A 25 -2.656 7.285 -4.552 1.00 1.00 H new ATOM 0 HA ALA A 25 -2.469 5.060 -2.616 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -4.791 5.725 -2.088 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -3.673 7.102 -1.933 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -4.725 6.965 -3.363 1.00 1.00 H new ATOM 358 N VAL A 26 -4.383 3.646 -3.763 1.00 1.00 N ATOM 359 CA VAL A 26 -5.042 2.638 -4.573 1.00 1.00 C ATOM 360 C VAL A 26 -6.011 1.852 -3.695 1.00 1.00 C ATOM 361 O VAL A 26 -5.996 1.979 -2.472 1.00 1.00 O ATOM 362 CB VAL A 26 -4.000 1.671 -5.220 1.00 1.00 C ATOM 363 CG1 VAL A 26 -3.905 1.880 -6.742 1.00 1.00 C ATOM 364 CG2 VAL A 26 -2.600 1.889 -4.614 1.00 1.00 C ATOM 0 H VAL A 26 -4.501 3.526 -2.757 1.00 1.00 H new ATOM 0 HA VAL A 26 -5.586 3.131 -5.379 1.00 1.00 H new ATOM 0 HB VAL A 26 -4.343 0.657 -5.015 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -3.171 1.191 -7.159 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -4.878 1.692 -7.196 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -3.599 2.905 -6.950 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -1.891 1.205 -5.080 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -2.283 2.917 -4.792 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -2.635 1.700 -3.541 1.00 1.00 H new ATOM 374 N GLN A 27 -6.835 1.020 -4.324 1.00 1.00 N ATOM 375 CA GLN A 27 -7.792 0.192 -3.591 1.00 1.00 C ATOM 376 C GLN A 27 -7.749 -1.232 -4.130 1.00 1.00 C ATOM 377 O GLN A 27 -7.972 -1.469 -5.320 1.00 1.00 O ATOM 378 CB GLN A 27 -9.202 0.786 -3.735 1.00 1.00 C ATOM 379 CG GLN A 27 -10.123 0.291 -2.609 1.00 1.00 C ATOM 380 CD GLN A 27 -10.559 -1.147 -2.874 1.00 1.00 C ATOM 381 OE1 GLN A 27 -10.400 -1.646 -3.988 1.00 1.00 O ATOM 382 NE2 GLN A 27 -11.120 -1.839 -1.918 1.00 1.00 N ATOM 0 H GLN A 27 -6.861 0.900 -5.337 1.00 1.00 H new ATOM 0 HA GLN A 27 -7.530 0.172 -2.533 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -9.146 1.874 -3.713 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -9.621 0.508 -4.702 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -9.603 0.350 -1.653 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -10.999 0.936 -2.536 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -11.250 -1.423 -0.996 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -11.428 -2.796 -2.094 1.00 1.00 H new ATOM 391 N GLY A 28 -7.438 -2.182 -3.246 1.00 1.00 N ATOM 392 CA GLY A 28 -7.344 -3.586 -3.640 1.00 1.00 C ATOM 393 C GLY A 28 -8.043 -4.478 -2.637 1.00 1.00 C ATOM 394 O GLY A 28 -8.343 -4.066 -1.516 1.00 1.00 O ATOM 0 H GLY A 28 -7.248 -2.005 -2.260 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -7.790 -3.722 -4.625 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -6.296 -3.875 -3.721 1.00 1.00 H new ATOM 398 N VAL A 29 -8.289 -5.714 -3.048 1.00 1.00 N ATOM 399 CA VAL A 29 -8.942 -6.690 -2.192 1.00 1.00 C ATOM 400 C VAL A 29 -7.893 -7.631 -1.622 1.00 1.00 C ATOM 401 O VAL A 29 -6.776 -7.703 -2.121 1.00 1.00 O ATOM 402 CB VAL A 29 -9.985 -7.488 -2.993 1.00 1.00 C ATOM 403 CG1 VAL A 29 -11.026 -8.096 -2.046 1.00 1.00 C ATOM 404 CG2 VAL A 29 -10.694 -6.553 -3.974 1.00 1.00 C ATOM 0 H VAL A 29 -8.044 -6.064 -3.974 1.00 1.00 H new ATOM 0 HA VAL A 29 -9.453 -6.174 -1.379 1.00 1.00 H new ATOM 0 HB VAL A 29 -9.479 -8.287 -3.535 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -11.759 -8.659 -2.624 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -10.531 -8.763 -1.341 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -11.530 -7.299 -1.499 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -11.434 -7.116 -4.543 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -11.191 -5.755 -3.422 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -9.963 -6.120 -4.657 1.00 1.00 H new ATOM 414 N LEU A 30 -8.279 -8.373 -0.606 1.00 1.00 N ATOM 415 CA LEU A 30 -7.400 -9.355 0.016 1.00 1.00 C ATOM 416 C LEU A 30 -8.253 -10.545 0.403 1.00 1.00 C ATOM 417 O LEU A 30 -9.198 -10.399 1.176 1.00 1.00 O ATOM 418 CB LEU A 30 -6.709 -8.766 1.254 1.00 1.00 C ATOM 419 CG LEU A 30 -5.798 -9.835 1.917 1.00 1.00 C ATOM 420 CD1 LEU A 30 -4.473 -9.197 2.359 1.00 1.00 C ATOM 421 CD2 LEU A 30 -6.489 -10.439 3.151 1.00 1.00 C ATOM 0 H LEU A 30 -9.206 -8.317 -0.185 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.615 -9.653 -0.680 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.115 -7.897 0.970 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -7.457 -8.421 1.968 1.00 1.00 H new ATOM 0 HG LEU A 30 -5.607 -10.620 1.185 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -3.841 -9.955 2.823 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -3.962 -8.780 1.491 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -4.674 -8.402 3.078 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -5.837 -11.186 3.604 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -6.695 -9.651 3.875 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.425 -10.909 2.850 1.00 1.00 H new ATOM 433 N CYS A 31 -7.950 -11.719 -0.145 1.00 1.00 N ATOM 434 CA CYS A 31 -8.742 -12.909 0.149 1.00 1.00 C ATOM 435 C CYS A 31 -8.022 -13.815 1.132 1.00 1.00 C ATOM 436 O CYS A 31 -6.856 -14.161 0.941 1.00 1.00 O ATOM 437 CB CYS A 31 -9.000 -13.680 -1.150 1.00 1.00 C ATOM 438 SG CYS A 31 -9.679 -15.318 -0.773 1.00 1.00 S ATOM 0 H CYS A 31 -7.172 -11.871 -0.787 1.00 1.00 H new ATOM 0 HA CYS A 31 -9.685 -12.593 0.595 1.00 1.00 H new ATOM 0 HB2 CYS A 31 -9.695 -13.125 -1.780 1.00 1.00 H new ATOM 0 HB3 CYS A 31 -8.072 -13.782 -1.712 1.00 1.00 H new ATOM 0 HG CYS A 31 -9.896 -15.963 -1.881 1.00 1.00 H new ATOM 444 N LYS A 32 -8.745 -14.230 2.163 1.00 1.00 N ATOM 445 CA LYS A 32 -8.200 -15.142 3.164 1.00 1.00 C ATOM 446 C LYS A 32 -9.197 -16.271 3.381 1.00 1.00 C ATOM 447 O LYS A 32 -10.375 -16.029 3.638 1.00 1.00 O ATOM 448 CB LYS A 32 -7.935 -14.416 4.491 1.00 1.00 C ATOM 449 CG LYS A 32 -6.965 -15.250 5.335 1.00 1.00 C ATOM 450 CD LYS A 32 -6.912 -14.709 6.764 1.00 1.00 C ATOM 451 CE LYS A 32 -6.446 -13.254 6.760 1.00 1.00 C ATOM 452 NZ LYS A 32 -6.005 -12.878 8.135 1.00 1.00 N ATOM 0 H LYS A 32 -9.712 -13.950 2.330 1.00 1.00 H new ATOM 0 HA LYS A 32 -7.249 -15.537 2.807 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -7.515 -13.428 4.302 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -8.870 -14.266 5.031 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -7.283 -16.293 5.344 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -5.970 -15.224 4.891 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -7.897 -14.782 7.225 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -6.233 -15.314 7.365 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -5.626 -13.124 6.054 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -7.255 -12.601 6.433 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -5.686 -11.888 8.139 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -6.800 -12.989 8.797 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -5.221 -13.495 8.429 1.00 1.00 H new ATOM 466 N GLY A 33 -8.722 -17.501 3.272 1.00 1.00 N ATOM 467 CA GLY A 33 -9.594 -18.651 3.452 1.00 1.00 C ATOM 468 C GLY A 33 -10.748 -18.611 2.455 1.00 1.00 C ATOM 469 O GLY A 33 -10.538 -18.553 1.243 1.00 1.00 O ATOM 0 H GLY A 33 -7.750 -17.728 3.062 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -9.024 -19.571 3.320 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -9.985 -18.662 4.469 1.00 1.00 H new ATOM 473 N ASP A 34 -11.975 -18.623 2.977 1.00 1.00 N ATOM 474 CA ASP A 34 -13.175 -18.572 2.138 1.00 1.00 C ATOM 475 C ASP A 34 -13.981 -17.329 2.494 1.00 1.00 C ATOM 476 O ASP A 34 -15.211 -17.328 2.441 1.00 1.00 O ATOM 477 CB ASP A 34 -14.021 -19.827 2.366 1.00 1.00 C ATOM 478 CG ASP A 34 -15.199 -19.864 1.397 1.00 1.00 C ATOM 479 OD1 ASP A 34 -15.384 -18.896 0.679 1.00 1.00 O ATOM 480 OD2 ASP A 34 -15.898 -20.864 1.385 1.00 1.00 O ATOM 0 H ASP A 34 -12.165 -18.668 3.978 1.00 1.00 H new ATOM 0 HA ASP A 34 -12.886 -18.529 1.088 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -13.405 -20.716 2.232 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -14.387 -19.844 3.393 1.00 1.00 H new ATOM 485 N SER A 35 -13.265 -16.264 2.855 1.00 1.00 N ATOM 486 CA SER A 35 -13.889 -14.995 3.221 1.00 1.00 C ATOM 487 C SER A 35 -13.140 -13.852 2.553 1.00 1.00 C ATOM 488 O SER A 35 -11.920 -13.754 2.672 1.00 1.00 O ATOM 489 CB SER A 35 -13.847 -14.815 4.740 1.00 1.00 C ATOM 490 OG SER A 35 -14.707 -13.744 5.108 1.00 1.00 O ATOM 0 H SER A 35 -12.246 -16.257 2.901 1.00 1.00 H new ATOM 0 HA SER A 35 -14.927 -14.995 2.889 1.00 1.00 H new ATOM 0 HB2 SER A 35 -14.159 -15.734 5.236 1.00 1.00 H new ATOM 0 HB3 SER A 35 -12.828 -14.607 5.066 1.00 1.00 H new ATOM 0 HG SER A 35 -14.685 -13.626 6.081 1.00 1.00 H new ATOM 496 N ARG A 36 -13.864 -12.999 1.836 1.00 1.00 N ATOM 497 CA ARG A 36 -13.233 -11.878 1.143 1.00 1.00 C ATOM 498 C ARG A 36 -13.144 -10.657 2.050 1.00 1.00 C ATOM 499 O ARG A 36 -14.020 -10.421 2.885 1.00 1.00 O ATOM 500 CB ARG A 36 -14.028 -11.525 -0.125 1.00 1.00 C ATOM 501 CG ARG A 36 -13.132 -10.745 -1.108 1.00 1.00 C ATOM 502 CD ARG A 36 -12.357 -11.721 -2.005 1.00 1.00 C ATOM 503 NE ARG A 36 -13.245 -12.299 -3.007 1.00 1.00 N ATOM 504 CZ ARG A 36 -12.851 -13.308 -3.773 1.00 1.00 C ATOM 505 NH1 ARG A 36 -11.651 -13.804 -3.636 1.00 1.00 N ATOM 506 NH2 ARG A 36 -13.663 -13.804 -4.663 1.00 1.00 N ATOM 0 H ARG A 36 -14.876 -13.059 1.719 1.00 1.00 H new ATOM 0 HA ARG A 36 -12.222 -12.177 0.865 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -14.396 -12.435 -0.599 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -14.901 -10.927 0.137 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -13.743 -10.082 -1.721 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -12.435 -10.115 -0.555 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -11.534 -11.201 -2.495 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -11.917 -12.513 -1.398 1.00 1.00 H new ATOM 0 HE ARG A 36 -14.185 -11.921 -3.121 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -11.015 -13.416 -2.939 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -11.349 -14.580 -4.226 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -14.600 -13.417 -4.770 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -13.361 -14.580 -5.253 1.00 1.00 H new ATOM 520 N GLN A 37 -12.070 -9.886 1.882 1.00 1.00 N ATOM 521 CA GLN A 37 -11.850 -8.683 2.681 1.00 1.00 C ATOM 522 C GLN A 37 -11.487 -7.506 1.781 1.00 1.00 C ATOM 523 O GLN A 37 -10.879 -7.679 0.724 1.00 1.00 O ATOM 524 CB GLN A 37 -10.725 -8.945 3.680 1.00 1.00 C ATOM 525 CG GLN A 37 -11.201 -9.975 4.701 1.00 1.00 C ATOM 526 CD GLN A 37 -10.020 -10.470 5.515 1.00 1.00 C ATOM 527 OE1 GLN A 37 -9.368 -11.526 5.119 1.00 1.00 O flip ATOM 528 NE2 GLN A 37 -9.676 -9.876 6.535 1.00 1.00 N flip ATOM 0 H GLN A 37 -11.338 -10.075 1.198 1.00 1.00 H new ATOM 0 HA GLN A 37 -12.766 -8.435 3.218 1.00 1.00 H new ATOM 0 HB2 GLN A 37 -9.838 -9.310 3.162 1.00 1.00 H new ATOM 0 HB3 GLN A 37 -10.443 -8.019 4.182 1.00 1.00 H new ATOM 0 HG2 GLN A 37 -11.948 -9.531 5.359 1.00 1.00 H new ATOM 0 HG3 GLN A 37 -11.681 -10.811 4.192 1.00 1.00 H new ATOM 0 HE21 GLN A 37 -10.189 -9.050 6.842 1.00 1.00 H new ATOM 0 HE22 GLN A 37 -8.877 -10.210 7.075 1.00 1.00 H new ATOM 537 N SER A 38 -11.859 -6.308 2.221 1.00 1.00 N ATOM 538 CA SER A 38 -11.573 -5.084 1.463 1.00 1.00 C ATOM 539 C SER A 38 -10.531 -4.244 2.191 1.00 1.00 C ATOM 540 O SER A 38 -10.689 -3.913 3.367 1.00 1.00 O ATOM 541 CB SER A 38 -12.858 -4.274 1.251 1.00 1.00 C ATOM 542 OG SER A 38 -13.078 -3.423 2.367 1.00 1.00 O ATOM 0 H SER A 38 -12.359 -6.154 3.097 1.00 1.00 H new ATOM 0 HA SER A 38 -11.176 -5.364 0.487 1.00 1.00 H new ATOM 0 HB2 SER A 38 -12.779 -3.681 0.340 1.00 1.00 H new ATOM 0 HB3 SER A 38 -13.706 -4.947 1.122 1.00 1.00 H new ATOM 0 HG SER A 38 -12.476 -3.678 3.097 1.00 1.00 H new ATOM 548 N ARG A 39 -9.457 -3.905 1.478 1.00 1.00 N ATOM 549 CA ARG A 39 -8.373 -3.106 2.050 1.00 1.00 C ATOM 550 C ARG A 39 -8.013 -1.944 1.133 1.00 1.00 C ATOM 551 O ARG A 39 -8.219 -2.003 -0.079 1.00 1.00 O ATOM 552 CB ARG A 39 -7.145 -3.986 2.284 1.00 1.00 C ATOM 553 CG ARG A 39 -7.388 -4.899 3.488 1.00 1.00 C ATOM 554 CD ARG A 39 -6.181 -5.816 3.660 1.00 1.00 C ATOM 555 NE ARG A 39 -6.370 -6.721 4.788 1.00 1.00 N ATOM 556 CZ ARG A 39 -6.053 -6.358 6.028 1.00 1.00 C ATOM 557 NH1 ARG A 39 -5.573 -5.166 6.254 1.00 1.00 N ATOM 558 NH2 ARG A 39 -6.214 -7.194 7.017 1.00 1.00 N ATOM 0 H ARG A 39 -9.314 -4.171 0.504 1.00 1.00 H new ATOM 0 HA ARG A 39 -8.712 -2.699 3.003 1.00 1.00 H new ATOM 0 HB2 ARG A 39 -6.940 -4.585 1.397 1.00 1.00 H new ATOM 0 HB3 ARG A 39 -6.267 -3.364 2.458 1.00 1.00 H new ATOM 0 HG2 ARG A 39 -7.541 -4.304 4.388 1.00 1.00 H new ATOM 0 HG3 ARG A 39 -8.292 -5.489 3.338 1.00 1.00 H new ATOM 0 HD2 ARG A 39 -6.025 -6.393 2.748 1.00 1.00 H new ATOM 0 HD3 ARG A 39 -5.284 -5.217 3.816 1.00 1.00 H new ATOM 0 HE ARG A 39 -6.753 -7.652 4.623 1.00 1.00 H new ATOM 0 HH11 ARG A 39 -5.441 -4.514 5.481 1.00 1.00 H new ATOM 0 HH12 ARG A 39 -5.329 -4.886 7.204 1.00 1.00 H new ATOM 0 HH21 ARG A 39 -6.584 -8.128 6.840 1.00 1.00 H new ATOM 0 HH22 ARG A 39 -5.970 -6.913 7.967 1.00 1.00 H new ATOM 572 N LEU A 40 -7.481 -0.885 1.738 1.00 1.00 N ATOM 573 CA LEU A 40 -7.087 0.317 0.994 1.00 1.00 C ATOM 574 C LEU A 40 -5.592 0.565 1.178 1.00 1.00 C ATOM 575 O LEU A 40 -5.101 0.629 2.307 1.00 1.00 O ATOM 576 CB LEU A 40 -7.906 1.524 1.495 1.00 1.00 C ATOM 577 CG LEU A 40 -7.531 2.817 0.740 1.00 1.00 C ATOM 578 CD1 LEU A 40 -8.217 2.857 -0.630 1.00 1.00 C ATOM 579 CD2 LEU A 40 -7.991 4.034 1.554 1.00 1.00 C ATOM 0 H LEU A 40 -7.311 -0.831 2.742 1.00 1.00 H new ATOM 0 HA LEU A 40 -7.288 0.176 -0.068 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -8.969 1.322 1.366 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -7.735 1.663 2.563 1.00 1.00 H new ATOM 0 HG LEU A 40 -6.450 2.837 0.603 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -7.941 3.775 -1.148 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -7.900 1.998 -1.221 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -9.298 2.826 -0.496 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -7.727 4.948 1.022 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -9.072 3.993 1.691 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -7.502 4.026 2.528 1.00 1.00 H new ATOM 591 N LEU A 41 -4.865 0.687 0.064 1.00 1.00 N ATOM 592 CA LEU A 41 -3.419 0.907 0.112 1.00 1.00 C ATOM 593 C LEU A 41 -3.093 2.398 0.065 1.00 1.00 C ATOM 594 O LEU A 41 -3.909 3.210 -0.369 1.00 1.00 O ATOM 595 CB LEU A 41 -2.754 0.216 -1.085 1.00 1.00 C ATOM 596 CG LEU A 41 -2.708 -1.298 -0.865 1.00 1.00 C ATOM 597 CD1 LEU A 41 -4.127 -1.882 -0.899 1.00 1.00 C ATOM 598 CD2 LEU A 41 -1.867 -1.934 -1.976 1.00 1.00 C ATOM 0 H LEU A 41 -5.253 0.637 -0.878 1.00 1.00 H new ATOM 0 HA LEU A 41 -3.042 0.491 1.046 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -3.307 0.441 -1.997 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -1.744 0.602 -1.221 1.00 1.00 H new ATOM 0 HG LEU A 41 -2.265 -1.509 0.108 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -4.081 -2.960 -0.741 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -4.727 -1.425 -0.112 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -4.582 -1.676 -1.868 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -1.827 -3.013 -1.830 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -2.318 -1.716 -2.944 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -0.857 -1.526 -1.946 1.00 1.00 H new ATOM 610 N GLY A 42 -1.884 2.744 0.505 1.00 1.00 N ATOM 611 CA GLY A 42 -1.451 4.136 0.497 1.00 1.00 C ATOM 612 C GLY A 42 0.054 4.256 0.738 1.00 1.00 C ATOM 613 O GLY A 42 0.514 4.210 1.876 1.00 1.00 O ATOM 0 H GLY A 42 -1.195 2.085 0.868 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -1.705 4.592 -0.460 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -1.989 4.690 1.266 1.00 1.00 H new ATOM 617 N LEU A 43 0.812 4.434 -0.341 1.00 1.00 N ATOM 618 CA LEU A 43 2.262 4.586 -0.234 1.00 1.00 C ATOM 619 C LEU A 43 2.588 6.012 0.187 1.00 1.00 C ATOM 620 O LEU A 43 2.005 6.966 -0.331 1.00 1.00 O ATOM 621 CB LEU A 43 2.918 4.255 -1.579 1.00 1.00 C ATOM 622 CG LEU A 43 4.426 4.525 -1.532 1.00 1.00 C ATOM 623 CD1 LEU A 43 5.069 3.735 -0.381 1.00 1.00 C ATOM 624 CD2 LEU A 43 5.048 4.093 -2.864 1.00 1.00 C ATOM 0 H LEU A 43 0.450 4.476 -1.294 1.00 1.00 H new ATOM 0 HA LEU A 43 2.652 3.899 0.517 1.00 1.00 H new ATOM 0 HB2 LEU A 43 2.739 3.209 -1.828 1.00 1.00 H new ATOM 0 HB3 LEU A 43 2.462 4.853 -2.368 1.00 1.00 H new ATOM 0 HG LEU A 43 4.601 5.588 -1.367 1.00 1.00 H new ATOM 0 HD11 LEU A 43 6.140 3.934 -0.357 1.00 1.00 H new ATOM 0 HD12 LEU A 43 4.622 4.041 0.565 1.00 1.00 H new ATOM 0 HD13 LEU A 43 4.902 2.669 -0.533 1.00 1.00 H new ATOM 0 HD21 LEU A 43 6.122 4.281 -2.842 1.00 1.00 H new ATOM 0 HD22 LEU A 43 4.869 3.029 -3.021 1.00 1.00 H new ATOM 0 HD23 LEU A 43 4.597 4.661 -3.677 1.00 1.00 H new ATOM 636 N VAL A 44 3.507 6.160 1.143 1.00 1.00 N ATOM 637 CA VAL A 44 3.881 7.485 1.639 1.00 1.00 C ATOM 638 C VAL A 44 5.391 7.685 1.639 1.00 1.00 C ATOM 639 O VAL A 44 6.147 6.826 2.092 1.00 1.00 O ATOM 640 CB VAL A 44 3.344 7.669 3.058 1.00 1.00 C ATOM 641 CG1 VAL A 44 4.131 6.789 4.033 1.00 1.00 C ATOM 642 CG2 VAL A 44 3.489 9.136 3.464 1.00 1.00 C ATOM 0 H VAL A 44 4.002 5.386 1.586 1.00 1.00 H new ATOM 0 HA VAL A 44 3.445 8.227 0.970 1.00 1.00 H new ATOM 0 HB VAL A 44 2.293 7.380 3.087 1.00 1.00 H new ATOM 0 HG11 VAL A 44 3.742 6.926 5.042 1.00 1.00 H new ATOM 0 HG12 VAL A 44 4.028 5.743 3.743 1.00 1.00 H new ATOM 0 HG13 VAL A 44 5.184 7.070 4.009 1.00 1.00 H new ATOM 0 HG21 VAL A 44 3.107 9.273 4.476 1.00 1.00 H new ATOM 0 HG22 VAL A 44 4.541 9.420 3.431 1.00 1.00 H new ATOM 0 HG23 VAL A 44 2.922 9.762 2.775 1.00 1.00 H new ATOM 652 N ARG A 45 5.817 8.848 1.146 1.00 1.00 N ATOM 653 CA ARG A 45 7.234 9.202 1.107 1.00 1.00 C ATOM 654 C ARG A 45 7.472 10.371 2.051 1.00 1.00 C ATOM 655 O ARG A 45 6.726 11.350 2.044 1.00 1.00 O ATOM 656 CB ARG A 45 7.649 9.591 -0.314 1.00 1.00 C ATOM 657 CG ARG A 45 9.154 9.874 -0.352 1.00 1.00 C ATOM 658 CD ARG A 45 9.547 10.309 -1.760 1.00 1.00 C ATOM 659 NE ARG A 45 9.388 9.198 -2.688 1.00 1.00 N ATOM 660 CZ ARG A 45 9.599 9.356 -3.989 1.00 1.00 C ATOM 661 NH1 ARG A 45 9.950 10.522 -4.454 1.00 1.00 N ATOM 662 NH2 ARG A 45 9.452 8.346 -4.800 1.00 1.00 N ATOM 0 H ARG A 45 5.197 9.563 0.767 1.00 1.00 H new ATOM 0 HA ARG A 45 7.830 8.344 1.416 1.00 1.00 H new ATOM 0 HB2 ARG A 45 7.402 8.788 -1.008 1.00 1.00 H new ATOM 0 HB3 ARG A 45 7.095 10.472 -0.637 1.00 1.00 H new ATOM 0 HG2 ARG A 45 9.408 10.653 0.366 1.00 1.00 H new ATOM 0 HG3 ARG A 45 9.711 8.982 -0.065 1.00 1.00 H new ATOM 0 HD2 ARG A 45 8.928 11.149 -2.076 1.00 1.00 H new ATOM 0 HD3 ARG A 45 10.581 10.654 -1.767 1.00 1.00 H new ATOM 0 HE ARG A 45 9.110 8.283 -2.332 1.00 1.00 H new ATOM 0 HH11 ARG A 45 10.062 11.312 -3.818 1.00 1.00 H new ATOM 0 HH12 ARG A 45 10.112 10.645 -5.453 1.00 1.00 H new ATOM 0 HH21 ARG A 45 9.175 7.435 -4.435 1.00 1.00 H new ATOM 0 HH22 ARG A 45 9.614 8.467 -5.800 1.00 1.00 H new ATOM 676 N TYR A 46 8.507 10.253 2.874 1.00 1.00 N ATOM 677 CA TYR A 46 8.843 11.295 3.846 1.00 1.00 C ATOM 678 C TYR A 46 10.287 11.742 3.639 1.00 1.00 C ATOM 679 O TYR A 46 11.189 10.914 3.525 1.00 1.00 O ATOM 680 CB TYR A 46 8.641 10.732 5.255 1.00 1.00 C ATOM 681 CG TYR A 46 8.835 11.817 6.284 1.00 1.00 C ATOM 682 CD1 TYR A 46 7.920 12.874 6.355 1.00 1.00 C ATOM 683 CD2 TYR A 46 9.912 11.761 7.175 1.00 1.00 C ATOM 684 CE1 TYR A 46 8.085 13.878 7.316 1.00 1.00 C ATOM 685 CE2 TYR A 46 10.078 12.766 8.134 1.00 1.00 C ATOM 686 CZ TYR A 46 9.163 13.824 8.206 1.00 1.00 C ATOM 687 OH TYR A 46 9.324 14.813 9.153 1.00 1.00 O ATOM 0 H TYR A 46 9.131 9.446 2.890 1.00 1.00 H new ATOM 0 HA TYR A 46 8.197 12.163 3.713 1.00 1.00 H new ATOM 0 HB2 TYR A 46 7.640 10.310 5.346 1.00 1.00 H new ATOM 0 HB3 TYR A 46 9.346 9.921 5.435 1.00 1.00 H new ATOM 0 HD1 TYR A 46 7.087 12.915 5.669 1.00 1.00 H new ATOM 0 HD2 TYR A 46 10.615 10.943 7.123 1.00 1.00 H new ATOM 0 HE1 TYR A 46 7.380 14.694 7.370 1.00 1.00 H new ATOM 0 HE2 TYR A 46 10.912 12.726 8.819 1.00 1.00 H new ATOM 0 HH TYR A 46 10.121 14.624 9.691 1.00 1.00 H new ATOM 697 N ARG A 47 10.502 13.059 3.579 1.00 1.00 N ATOM 698 CA ARG A 47 11.846 13.605 3.365 1.00 1.00 C ATOM 699 C ARG A 47 12.524 13.947 4.687 1.00 1.00 C ATOM 700 O ARG A 47 11.875 14.377 5.641 1.00 1.00 O ATOM 701 CB ARG A 47 11.763 14.864 2.494 1.00 1.00 C ATOM 702 CG ARG A 47 13.179 15.367 2.188 1.00 1.00 C ATOM 703 CD ARG A 47 13.114 16.569 1.244 1.00 1.00 C ATOM 704 NE ARG A 47 12.478 17.700 1.909 1.00 1.00 N ATOM 705 CZ ARG A 47 12.237 18.836 1.261 1.00 1.00 C ATOM 706 NH1 ARG A 47 12.587 18.962 0.011 1.00 1.00 N ATOM 707 NH2 ARG A 47 11.657 19.827 1.879 1.00 1.00 N ATOM 0 H ARG A 47 9.770 13.762 3.675 1.00 1.00 H new ATOM 0 HA ARG A 47 12.441 12.843 2.861 1.00 1.00 H new ATOM 0 HB2 ARG A 47 11.235 14.643 1.566 1.00 1.00 H new ATOM 0 HB3 ARG A 47 11.194 15.638 3.008 1.00 1.00 H new ATOM 0 HG2 ARG A 47 13.682 15.648 3.113 1.00 1.00 H new ATOM 0 HG3 ARG A 47 13.767 14.569 1.735 1.00 1.00 H new ATOM 0 HD2 ARG A 47 14.119 16.844 0.925 1.00 1.00 H new ATOM 0 HD3 ARG A 47 12.555 16.305 0.346 1.00 1.00 H new ATOM 0 HE ARG A 47 12.213 17.618 2.891 1.00 1.00 H new ATOM 0 HH11 ARG A 47 13.046 18.189 -0.471 1.00 1.00 H new ATOM 0 HH12 ARG A 47 12.402 19.834 -0.485 1.00 1.00 H new ATOM 0 HH21 ARG A 47 11.389 19.730 2.858 1.00 1.00 H new ATOM 0 HH22 ARG A 47 11.472 20.699 1.383 1.00 1.00 H new ATOM 721 N LEU A 48 13.845 13.762 4.727 1.00 1.00 N ATOM 722 CA LEU A 48 14.635 14.060 5.926 1.00 1.00 C ATOM 723 C LEU A 48 15.519 15.278 5.691 1.00 1.00 C ATOM 724 O LEU A 48 15.999 15.510 4.580 1.00 1.00 O ATOM 725 CB LEU A 48 15.519 12.863 6.293 1.00 1.00 C ATOM 726 CG LEU A 48 14.651 11.653 6.675 1.00 1.00 C ATOM 727 CD1 LEU A 48 15.559 10.438 6.921 1.00 1.00 C ATOM 728 CD2 LEU A 48 13.836 11.963 7.945 1.00 1.00 C ATOM 0 H LEU A 48 14.392 13.407 3.943 1.00 1.00 H new ATOM 0 HA LEU A 48 13.944 14.266 6.744 1.00 1.00 H new ATOM 0 HB2 LEU A 48 16.162 12.606 5.451 1.00 1.00 H new ATOM 0 HB3 LEU A 48 16.173 13.127 7.124 1.00 1.00 H new ATOM 0 HG LEU A 48 13.959 11.435 5.862 1.00 1.00 H new ATOM 0 HD11 LEU A 48 14.949 9.577 7.192 1.00 1.00 H new ATOM 0 HD12 LEU A 48 16.120 10.214 6.014 1.00 1.00 H new ATOM 0 HD13 LEU A 48 16.253 10.661 7.731 1.00 1.00 H new ATOM 0 HD21 LEU A 48 13.225 11.099 8.205 1.00 1.00 H new ATOM 0 HD22 LEU A 48 14.515 12.188 8.767 1.00 1.00 H new ATOM 0 HD23 LEU A 48 13.190 12.822 7.762 1.00 1.00 H new ATOM 740 N GLU A 49 15.729 16.052 6.747 1.00 1.00 N ATOM 741 CA GLU A 49 16.552 17.248 6.655 1.00 1.00 C ATOM 742 C GLU A 49 18.031 16.875 6.609 1.00 1.00 C ATOM 743 O GLU A 49 18.892 17.729 6.395 1.00 1.00 O ATOM 744 CB GLU A 49 16.283 18.152 7.857 1.00 1.00 C ATOM 745 CG GLU A 49 14.857 18.697 7.770 1.00 1.00 C ATOM 746 CD GLU A 49 14.541 19.529 9.005 1.00 1.00 C ATOM 747 OE1 GLU A 49 15.399 19.627 9.865 1.00 1.00 O ATOM 748 OE2 GLU A 49 13.441 20.056 9.075 1.00 1.00 O ATOM 0 H GLU A 49 15.342 15.873 7.674 1.00 1.00 H new ATOM 0 HA GLU A 49 16.298 17.779 5.738 1.00 1.00 H new ATOM 0 HB2 GLU A 49 16.415 17.593 8.784 1.00 1.00 H new ATOM 0 HB3 GLU A 49 16.998 18.974 7.876 1.00 1.00 H new ATOM 0 HG2 GLU A 49 14.746 19.306 6.873 1.00 1.00 H new ATOM 0 HG3 GLU A 49 14.149 17.873 7.686 1.00 1.00 H new ATOM 755 N ASN A 50 18.318 15.590 6.815 1.00 1.00 N ATOM 756 CA ASN A 50 19.695 15.097 6.801 1.00 1.00 C ATOM 757 C ASN A 50 20.056 14.546 5.424 1.00 1.00 C ATOM 758 O ASN A 50 21.149 14.014 5.237 1.00 1.00 O ATOM 759 CB ASN A 50 19.847 13.991 7.851 1.00 1.00 C ATOM 760 CG ASN A 50 19.672 14.574 9.250 1.00 1.00 C ATOM 761 OD1 ASN A 50 20.002 15.736 9.484 1.00 1.00 O ATOM 762 ND2 ASN A 50 19.162 13.834 10.201 1.00 1.00 N ATOM 0 H ASN A 50 17.616 14.872 6.993 1.00 1.00 H new ATOM 0 HA ASN A 50 20.367 15.924 7.031 1.00 1.00 H new ATOM 0 HB2 ASN A 50 19.107 13.210 7.678 1.00 1.00 H new ATOM 0 HB3 ASN A 50 20.829 13.526 7.762 1.00 1.00 H new ATOM 0 HD21 ASN A 50 19.038 14.220 11.137 1.00 1.00 H new ATOM 0 HD22 ASN A 50 18.889 12.871 10.007 1.00 1.00 H new ATOM 769 N ASP A 51 19.117 14.655 4.478 1.00 1.00 N ATOM 770 CA ASP A 51 19.315 14.147 3.122 1.00 1.00 C ATOM 771 C ASP A 51 19.156 12.638 3.136 1.00 1.00 C ATOM 772 O ASP A 51 20.136 11.894 3.124 1.00 1.00 O ATOM 773 CB ASP A 51 20.697 14.525 2.572 1.00 1.00 C ATOM 774 CG ASP A 51 21.006 15.976 2.918 1.00 1.00 C ATOM 775 OD1 ASP A 51 20.095 16.784 2.852 1.00 1.00 O ATOM 776 OD2 ASP A 51 22.147 16.258 3.246 1.00 1.00 O ATOM 0 H ASP A 51 18.209 15.093 4.631 1.00 1.00 H new ATOM 0 HA ASP A 51 18.569 14.599 2.468 1.00 1.00 H new ATOM 0 HB2 ASP A 51 21.459 13.870 2.994 1.00 1.00 H new ATOM 0 HB3 ASP A 51 20.720 14.386 1.491 1.00 1.00 H new ATOM 781 N ALA A 52 17.906 12.199 3.169 1.00 1.00 N ATOM 782 CA ALA A 52 17.608 10.778 3.192 1.00 1.00 C ATOM 783 C ALA A 52 16.103 10.553 3.087 1.00 1.00 C ATOM 784 O ALA A 52 15.330 11.031 3.916 1.00 1.00 O ATOM 785 CB ALA A 52 18.149 10.148 4.481 1.00 1.00 C ATOM 0 H ALA A 52 17.086 12.805 3.180 1.00 1.00 H new ATOM 0 HA ALA A 52 18.092 10.304 2.338 1.00 1.00 H new ATOM 0 HB1 ALA A 52 17.921 9.082 4.489 1.00 1.00 H new ATOM 0 HB2 ALA A 52 19.229 10.288 4.529 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.683 10.625 5.343 1.00 1.00 H new ATOM 791 N GLN A 53 15.706 9.828 2.057 1.00 1.00 N ATOM 792 CA GLN A 53 14.293 9.532 1.824 1.00 1.00 C ATOM 793 C GLN A 53 13.856 8.304 2.621 1.00 1.00 C ATOM 794 O GLN A 53 14.590 7.320 2.715 1.00 1.00 O ATOM 795 CB GLN A 53 14.051 9.267 0.334 1.00 1.00 C ATOM 796 CG GLN A 53 14.341 10.533 -0.474 1.00 1.00 C ATOM 797 CD GLN A 53 13.317 11.609 -0.140 1.00 1.00 C ATOM 798 OE1 GLN A 53 12.117 11.334 -0.096 1.00 1.00 O ATOM 799 NE2 GLN A 53 13.720 12.824 0.095 1.00 1.00 N ATOM 0 H GLN A 53 16.339 9.430 1.364 1.00 1.00 H new ATOM 0 HA GLN A 53 13.711 10.395 2.148 1.00 1.00 H new ATOM 0 HB2 GLN A 53 14.690 8.453 -0.008 1.00 1.00 H new ATOM 0 HB3 GLN A 53 13.020 8.952 0.175 1.00 1.00 H new ATOM 0 HG2 GLN A 53 15.345 10.894 -0.252 1.00 1.00 H new ATOM 0 HG3 GLN A 53 14.311 10.309 -1.540 1.00 1.00 H new ATOM 0 HE21 GLN A 53 14.714 13.048 0.058 1.00 1.00 H new ATOM 0 HE22 GLN A 53 13.041 13.553 0.317 1.00 1.00 H new ATOM 808 N GLU A 54 12.643 8.362 3.178 1.00 1.00 N ATOM 809 CA GLU A 54 12.095 7.243 3.950 1.00 1.00 C ATOM 810 C GLU A 54 10.730 6.854 3.396 1.00 1.00 C ATOM 811 O GLU A 54 9.829 7.686 3.293 1.00 1.00 O ATOM 812 CB GLU A 54 11.967 7.627 5.426 1.00 1.00 C ATOM 813 CG GLU A 54 13.357 7.851 6.026 1.00 1.00 C ATOM 814 CD GLU A 54 14.155 6.551 6.010 1.00 1.00 C ATOM 815 OE1 GLU A 54 13.538 5.503 5.903 1.00 1.00 O ATOM 816 OE2 GLU A 54 15.370 6.621 6.100 1.00 1.00 O ATOM 0 H GLU A 54 12.023 9.169 3.109 1.00 1.00 H new ATOM 0 HA GLU A 54 12.773 6.393 3.867 1.00 1.00 H new ATOM 0 HB2 GLU A 54 11.368 8.532 5.525 1.00 1.00 H new ATOM 0 HB3 GLU A 54 11.448 6.840 5.972 1.00 1.00 H new ATOM 0 HG2 GLU A 54 13.886 8.618 5.460 1.00 1.00 H new ATOM 0 HG3 GLU A 54 13.265 8.217 7.049 1.00 1.00 H new ATOM 823 N HIS A 55 10.590 5.578 3.030 1.00 1.00 N ATOM 824 CA HIS A 55 9.336 5.069 2.468 1.00 1.00 C ATOM 825 C HIS A 55 8.727 3.999 3.364 1.00 1.00 C ATOM 826 O HIS A 55 9.441 3.185 3.951 1.00 1.00 O ATOM 827 CB HIS A 55 9.602 4.449 1.095 1.00 1.00 C ATOM 828 CG HIS A 55 10.175 5.480 0.164 1.00 1.00 C ATOM 829 ND1 HIS A 55 11.540 5.682 0.036 1.00 1.00 N ATOM 830 CD2 HIS A 55 9.583 6.364 -0.703 1.00 1.00 C ATOM 831 CE1 HIS A 55 11.724 6.649 -0.880 1.00 1.00 C ATOM 832 NE2 HIS A 55 10.562 7.099 -1.363 1.00 1.00 N ATOM 0 H HIS A 55 11.328 4.879 3.112 1.00 1.00 H new ATOM 0 HA HIS A 55 8.643 5.906 2.386 1.00 1.00 H new ATOM 0 HB2 HIS A 55 10.294 3.612 1.193 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.676 4.050 0.682 1.00 1.00 H new ATOM 0 HD1 HIS A 55 12.272 5.187 0.545 1.00 1.00 H new ATOM 0 HD2 HIS A 55 8.519 6.472 -0.850 1.00 1.00 H new ATOM 0 HE1 HIS A 55 12.692 7.017 -1.188 1.00 1.00 H new ATOM 840 N ALA A 56 7.399 3.998 3.461 1.00 1.00 N ATOM 841 CA ALA A 56 6.685 3.018 4.274 1.00 1.00 C ATOM 842 C ALA A 56 5.365 2.655 3.593 1.00 1.00 C ATOM 843 O ALA A 56 4.648 3.531 3.110 1.00 1.00 O ATOM 844 CB ALA A 56 6.413 3.602 5.665 1.00 1.00 C ATOM 0 H ALA A 56 6.795 4.668 2.985 1.00 1.00 H new ATOM 0 HA ALA A 56 7.293 2.120 4.379 1.00 1.00 H new ATOM 0 HB1 ALA A 56 5.880 2.868 6.270 1.00 1.00 H new ATOM 0 HB2 ALA A 56 7.359 3.851 6.146 1.00 1.00 H new ATOM 0 HB3 ALA A 56 5.807 4.503 5.569 1.00 1.00 H new ATOM 850 N LEU A 57 5.049 1.357 3.545 1.00 1.00 N ATOM 851 CA LEU A 57 3.811 0.904 2.910 1.00 1.00 C ATOM 852 C LEU A 57 2.689 0.830 3.938 1.00 1.00 C ATOM 853 O LEU A 57 2.586 -0.131 4.701 1.00 1.00 O ATOM 854 CB LEU A 57 4.032 -0.466 2.255 1.00 1.00 C ATOM 855 CG LEU A 57 2.713 -1.012 1.695 1.00 1.00 C ATOM 856 CD1 LEU A 57 2.128 -0.025 0.671 1.00 1.00 C ATOM 857 CD2 LEU A 57 2.991 -2.353 1.018 1.00 1.00 C ATOM 0 H LEU A 57 5.626 0.611 3.933 1.00 1.00 H new ATOM 0 HA LEU A 57 3.524 1.619 2.139 1.00 1.00 H new ATOM 0 HB2 LEU A 57 4.766 -0.379 1.454 1.00 1.00 H new ATOM 0 HB3 LEU A 57 4.440 -1.164 2.986 1.00 1.00 H new ATOM 0 HG LEU A 57 1.994 -1.143 2.504 1.00 1.00 H new ATOM 0 HD11 LEU A 57 1.191 -0.421 0.278 1.00 1.00 H new ATOM 0 HD12 LEU A 57 1.942 0.934 1.155 1.00 1.00 H new ATOM 0 HD13 LEU A 57 2.835 0.112 -0.147 1.00 1.00 H new ATOM 0 HD21 LEU A 57 2.062 -2.756 0.614 1.00 1.00 H new ATOM 0 HD22 LEU A 57 3.707 -2.211 0.209 1.00 1.00 H new ATOM 0 HD23 LEU A 57 3.402 -3.051 1.748 1.00 1.00 H new ATOM 869 N PHE A 58 1.860 1.867 3.959 1.00 1.00 N ATOM 870 CA PHE A 58 0.752 1.947 4.900 1.00 1.00 C ATOM 871 C PHE A 58 -0.462 1.180 4.391 1.00 1.00 C ATOM 872 O PHE A 58 -0.714 1.110 3.188 1.00 1.00 O ATOM 873 CB PHE A 58 0.387 3.425 5.127 1.00 1.00 C ATOM 874 CG PHE A 58 1.273 4.035 6.201 1.00 1.00 C ATOM 875 CD1 PHE A 58 2.591 3.578 6.403 1.00 1.00 C ATOM 876 CD2 PHE A 58 0.767 5.060 7.006 1.00 1.00 C ATOM 877 CE1 PHE A 58 3.382 4.147 7.404 1.00 1.00 C ATOM 878 CE2 PHE A 58 1.564 5.628 8.005 1.00 1.00 C ATOM 879 CZ PHE A 58 2.871 5.170 8.205 1.00 1.00 C ATOM 0 H PHE A 58 1.936 2.667 3.331 1.00 1.00 H new ATOM 0 HA PHE A 58 1.060 1.493 5.842 1.00 1.00 H new ATOM 0 HB2 PHE A 58 0.500 3.980 4.196 1.00 1.00 H new ATOM 0 HB3 PHE A 58 -0.659 3.506 5.422 1.00 1.00 H new ATOM 0 HD1 PHE A 58 2.989 2.788 5.784 1.00 1.00 H new ATOM 0 HD2 PHE A 58 -0.242 5.414 6.856 1.00 1.00 H new ATOM 0 HE1 PHE A 58 4.391 3.795 7.559 1.00 1.00 H new ATOM 0 HE2 PHE A 58 1.170 6.421 8.623 1.00 1.00 H new ATOM 0 HZ PHE A 58 3.484 5.608 8.979 1.00 1.00 H new ATOM 889 N LEU A 59 -1.229 0.634 5.329 1.00 1.00 N ATOM 890 CA LEU A 59 -2.446 -0.100 4.994 1.00 1.00 C ATOM 891 C LEU A 59 -3.606 0.536 5.734 1.00 1.00 C ATOM 892 O LEU A 59 -3.668 0.522 6.965 1.00 1.00 O ATOM 893 CB LEU A 59 -2.307 -1.581 5.375 1.00 1.00 C ATOM 894 CG LEU A 59 -3.304 -2.457 4.577 1.00 1.00 C ATOM 895 CD1 LEU A 59 -4.740 -1.963 4.789 1.00 1.00 C ATOM 896 CD2 LEU A 59 -2.956 -2.443 3.070 1.00 1.00 C ATOM 0 H LEU A 59 -1.030 0.686 6.328 1.00 1.00 H new ATOM 0 HA LEU A 59 -2.623 -0.053 3.919 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -1.288 -1.916 5.181 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -2.485 -1.703 6.443 1.00 1.00 H new ATOM 0 HG LEU A 59 -3.227 -3.481 4.943 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -5.428 -2.590 4.221 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -4.991 -2.017 5.848 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -4.824 -0.931 4.448 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -3.668 -3.064 2.526 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -3.006 -1.421 2.695 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -1.949 -2.834 2.926 1.00 1.00 H new ATOM 908 N TYR A 60 -4.514 1.097 4.966 1.00 1.00 N ATOM 909 CA TYR A 60 -5.683 1.758 5.514 1.00 1.00 C ATOM 910 C TYR A 60 -6.889 0.842 5.387 1.00 1.00 C ATOM 911 O TYR A 60 -7.139 0.293 4.317 1.00 1.00 O ATOM 912 CB TYR A 60 -5.951 3.024 4.705 1.00 1.00 C ATOM 913 CG TYR A 60 -4.806 4.002 4.837 1.00 1.00 C ATOM 914 CD1 TYR A 60 -3.649 3.839 4.063 1.00 1.00 C ATOM 915 CD2 TYR A 60 -4.908 5.079 5.719 1.00 1.00 C ATOM 916 CE1 TYR A 60 -2.595 4.755 4.176 1.00 1.00 C ATOM 917 CE2 TYR A 60 -3.856 5.995 5.832 1.00 1.00 C ATOM 918 CZ TYR A 60 -2.699 5.835 5.061 1.00 1.00 C ATOM 919 OH TYR A 60 -1.663 6.741 5.170 1.00 1.00 O ATOM 0 H TYR A 60 -4.465 1.109 3.947 1.00 1.00 H new ATOM 0 HA TYR A 60 -5.510 2.000 6.563 1.00 1.00 H new ATOM 0 HB2 TYR A 60 -6.095 2.766 3.656 1.00 1.00 H new ATOM 0 HB3 TYR A 60 -6.874 3.491 5.048 1.00 1.00 H new ATOM 0 HD1 TYR A 60 -3.570 3.007 3.379 1.00 1.00 H new ATOM 0 HD2 TYR A 60 -5.800 5.206 6.315 1.00 1.00 H new ATOM 0 HE1 TYR A 60 -1.703 4.628 3.581 1.00 1.00 H new ATOM 0 HE2 TYR A 60 -3.937 6.827 6.516 1.00 1.00 H new ATOM 0 HH TYR A 60 -1.190 6.802 4.314 1.00 1.00 H new ATOM 929 N THR A 61 -7.658 0.692 6.460 1.00 1.00 N ATOM 930 CA THR A 61 -8.853 -0.142 6.389 1.00 1.00 C ATOM 931 C THR A 61 -9.987 0.691 5.838 1.00 1.00 C ATOM 932 O THR A 61 -9.924 1.921 5.845 1.00 1.00 O ATOM 933 CB THR A 61 -9.251 -0.699 7.760 1.00 1.00 C ATOM 934 OG1 THR A 61 -10.445 -1.456 7.624 1.00 1.00 O ATOM 935 CG2 THR A 61 -9.489 0.442 8.751 1.00 1.00 C ATOM 0 H THR A 61 -7.483 1.124 7.367 1.00 1.00 H new ATOM 0 HA THR A 61 -8.639 -0.992 5.741 1.00 1.00 H new ATOM 0 HB THR A 61 -8.445 -1.330 8.135 1.00 1.00 H new ATOM 0 HG1 THR A 61 -10.705 -1.817 8.497 1.00 1.00 H new ATOM 0 HG21 THR A 61 -9.771 0.030 9.720 1.00 1.00 H new ATOM 0 HG22 THR A 61 -8.576 1.028 8.858 1.00 1.00 H new ATOM 0 HG23 THR A 61 -10.290 1.083 8.383 1.00 1.00 H new ATOM 943 N HIS A 62 -11.022 0.025 5.373 1.00 1.00 N ATOM 944 CA HIS A 62 -12.169 0.723 4.830 1.00 1.00 C ATOM 945 C HIS A 62 -13.334 -0.240 4.646 1.00 1.00 C ATOM 946 O HIS A 62 -13.146 -1.451 4.534 1.00 1.00 O ATOM 947 CB HIS A 62 -11.797 1.402 3.502 1.00 1.00 C ATOM 948 CG HIS A 62 -11.780 0.400 2.380 1.00 1.00 C ATOM 949 ND1 HIS A 62 -12.863 0.219 1.537 1.00 1.00 N ATOM 950 CD2 HIS A 62 -10.823 -0.483 1.958 1.00 1.00 C ATOM 951 CE1 HIS A 62 -12.534 -0.743 0.657 1.00 1.00 C ATOM 952 NE2 HIS A 62 -11.299 -1.205 0.868 1.00 1.00 N ATOM 0 H HIS A 62 -11.094 -0.992 5.359 1.00 1.00 H new ATOM 0 HA HIS A 62 -12.478 1.497 5.532 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -12.513 2.193 3.279 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -10.818 1.873 3.590 1.00 1.00 H new ATOM 0 HD1 HIS A 62 -13.749 0.723 1.576 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -9.846 -0.601 2.404 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -13.189 -1.099 -0.125 1.00 1.00 H new ATOM 960 N ARG A 63 -14.530 0.313 4.616 1.00 1.00 N ATOM 961 CA ARG A 63 -15.732 -0.488 4.447 1.00 1.00 C ATOM 962 C ARG A 63 -15.891 -0.874 2.989 1.00 1.00 C ATOM 963 O ARG A 63 -14.953 -0.772 2.198 1.00 1.00 O ATOM 964 CB ARG A 63 -16.974 0.292 4.894 1.00 1.00 C ATOM 965 CG ARG A 63 -16.732 0.871 6.284 1.00 1.00 C ATOM 966 CD ARG A 63 -17.984 1.604 6.779 1.00 1.00 C ATOM 967 NE ARG A 63 -19.064 0.650 7.036 1.00 1.00 N ATOM 968 CZ ARG A 63 -19.197 0.054 8.220 1.00 1.00 C ATOM 969 NH1 ARG A 63 -18.355 0.311 9.184 1.00 1.00 N ATOM 970 NH2 ARG A 63 -20.175 -0.789 8.421 1.00 1.00 N ATOM 0 H ARG A 63 -14.698 1.315 4.706 1.00 1.00 H new ATOM 0 HA ARG A 63 -15.634 -1.382 5.062 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -17.189 1.093 4.186 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -17.844 -0.364 4.907 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -16.472 0.072 6.978 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -15.886 1.558 6.257 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -17.754 2.157 7.690 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -18.304 2.334 6.035 1.00 1.00 H new ATOM 0 HE ARG A 63 -19.729 0.437 6.293 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -17.592 0.970 9.032 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -18.460 -0.148 10.089 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -20.837 -0.991 7.671 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -20.277 -1.245 9.328 1.00 1.00 H new ATOM 984 N ARG A 64 -17.085 -1.313 2.644 1.00 1.00 N ATOM 985 CA ARG A 64 -17.377 -1.712 1.282 1.00 1.00 C ATOM 986 C ARG A 64 -17.327 -0.515 0.342 1.00 1.00 C ATOM 987 O ARG A 64 -16.917 -0.646 -0.811 1.00 1.00 O ATOM 988 CB ARG A 64 -18.769 -2.344 1.224 1.00 1.00 C ATOM 989 CG ARG A 64 -18.827 -3.589 2.125 1.00 1.00 C ATOM 990 CD ARG A 64 -18.277 -4.822 1.394 1.00 1.00 C ATOM 991 NE ARG A 64 -18.262 -5.971 2.299 1.00 1.00 N ATOM 992 CZ ARG A 64 -19.335 -6.740 2.461 1.00 1.00 C ATOM 993 NH1 ARG A 64 -20.438 -6.464 1.820 1.00 1.00 N ATOM 994 NH2 ARG A 64 -19.286 -7.768 3.264 1.00 1.00 N ATOM 0 H ARG A 64 -17.870 -1.402 3.289 1.00 1.00 H new ATOM 0 HA ARG A 64 -16.625 -2.434 0.965 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -19.518 -1.620 1.544 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -19.009 -2.618 0.197 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -18.250 -3.413 3.033 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -19.857 -3.773 2.432 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -18.892 -5.043 0.522 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -17.269 -4.621 1.031 1.00 1.00 H new ATOM 0 HE ARG A 64 -17.410 -6.187 2.817 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -20.477 -5.659 1.195 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -21.261 -7.054 1.944 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -18.425 -7.981 3.767 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -20.109 -8.358 3.388 1.00 1.00 H new ATOM 1008 N MET A 65 -17.774 0.654 0.817 1.00 1.00 N ATOM 1009 CA MET A 65 -17.793 1.849 -0.030 1.00 1.00 C ATOM 1010 C MET A 65 -17.400 3.091 0.770 1.00 1.00 C ATOM 1011 O MET A 65 -17.830 4.204 0.463 1.00 1.00 O ATOM 1012 CB MET A 65 -19.204 2.029 -0.615 1.00 1.00 C ATOM 1013 CG MET A 65 -20.255 1.656 0.438 1.00 1.00 C ATOM 1014 SD MET A 65 -21.913 1.941 -0.233 1.00 1.00 S ATOM 1015 CE MET A 65 -22.829 1.639 1.300 1.00 1.00 C ATOM 0 H MET A 65 -18.121 0.796 1.766 1.00 1.00 H new ATOM 0 HA MET A 65 -17.070 1.722 -0.836 1.00 1.00 H new ATOM 0 HB2 MET A 65 -19.346 3.061 -0.934 1.00 1.00 H new ATOM 0 HB3 MET A 65 -19.324 1.403 -1.499 1.00 1.00 H new ATOM 0 HG2 MET A 65 -20.142 0.610 0.725 1.00 1.00 H new ATOM 0 HG3 MET A 65 -20.109 2.251 1.339 1.00 1.00 H new ATOM 0 HE1 MET A 65 -23.896 1.763 1.116 1.00 1.00 H new ATOM 0 HE2 MET A 65 -22.635 0.624 1.646 1.00 1.00 H new ATOM 0 HE3 MET A 65 -22.507 2.349 2.062 1.00 1.00 H new ATOM 1025 N ALA A 66 -16.570 2.893 1.789 1.00 1.00 N ATOM 1026 CA ALA A 66 -16.105 4.001 2.629 1.00 1.00 C ATOM 1027 C ALA A 66 -14.828 4.612 2.047 1.00 1.00 C ATOM 1028 O ALA A 66 -13.993 5.152 2.770 1.00 1.00 O ATOM 1029 CB ALA A 66 -15.837 3.499 4.038 1.00 1.00 C ATOM 0 H ALA A 66 -16.204 1.979 2.056 1.00 1.00 H new ATOM 0 HA ALA A 66 -16.879 4.768 2.658 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -15.492 4.325 4.659 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -16.755 3.088 4.459 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -15.072 2.723 4.008 1.00 1.00 H new ATOM 1035 N ILE A 67 -14.694 4.509 0.740 1.00 1.00 N ATOM 1036 CA ILE A 67 -13.531 5.027 0.029 1.00 1.00 C ATOM 1037 C ILE A 67 -13.393 6.547 0.211 1.00 1.00 C ATOM 1038 O ILE A 67 -12.288 7.075 0.334 1.00 1.00 O ATOM 1039 CB ILE A 67 -13.706 4.710 -1.461 1.00 1.00 C ATOM 1040 CG1 ILE A 67 -13.626 3.195 -1.671 1.00 1.00 C ATOM 1041 CG2 ILE A 67 -12.608 5.392 -2.277 1.00 1.00 C ATOM 1042 CD1 ILE A 67 -14.095 2.850 -3.086 1.00 1.00 C ATOM 0 H ILE A 67 -15.386 4.065 0.136 1.00 1.00 H new ATOM 0 HA ILE A 67 -12.631 4.560 0.429 1.00 1.00 H new ATOM 0 HB ILE A 67 -14.677 5.079 -1.791 1.00 1.00 H new ATOM 0 HG12 ILE A 67 -12.603 2.850 -1.521 1.00 1.00 H new ATOM 0 HG13 ILE A 67 -14.246 2.682 -0.936 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -12.742 5.160 -3.333 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -12.664 6.471 -2.133 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -11.633 5.032 -1.948 1.00 1.00 H new ATOM 0 HD11 ILE A 67 -14.038 1.772 -3.235 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -15.125 3.181 -3.219 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -13.456 3.351 -3.813 1.00 1.00 H new ATOM 1054 N THR A 68 -14.531 7.222 0.154 1.00 1.00 N ATOM 1055 CA THR A 68 -14.597 8.684 0.238 1.00 1.00 C ATOM 1056 C THR A 68 -13.445 9.305 1.038 1.00 1.00 C ATOM 1057 O THR A 68 -13.032 10.429 0.745 1.00 1.00 O ATOM 1058 CB THR A 68 -15.937 9.105 0.844 1.00 1.00 C ATOM 1059 OG1 THR A 68 -15.970 8.764 2.222 1.00 1.00 O ATOM 1060 CG2 THR A 68 -17.063 8.385 0.104 1.00 1.00 C ATOM 0 H THR A 68 -15.442 6.775 0.048 1.00 1.00 H new ATOM 0 HA THR A 68 -14.502 9.060 -0.781 1.00 1.00 H new ATOM 0 HB THR A 68 -16.063 10.183 0.746 1.00 1.00 H new ATOM 0 HG1 THR A 68 -16.878 8.888 2.568 1.00 1.00 H new ATOM 0 HG21 THR A 68 -18.023 8.678 0.529 1.00 1.00 H new ATOM 0 HG22 THR A 68 -17.035 8.655 -0.952 1.00 1.00 H new ATOM 0 HG23 THR A 68 -16.935 7.307 0.207 1.00 1.00 H new ATOM 1068 N GLY A 69 -12.942 8.610 2.062 1.00 1.00 N ATOM 1069 CA GLY A 69 -11.863 9.148 2.897 1.00 1.00 C ATOM 1070 C GLY A 69 -12.430 9.493 4.263 1.00 1.00 C ATOM 1071 O GLY A 69 -11.699 9.780 5.212 1.00 1.00 O ATOM 0 H GLY A 69 -13.262 7.680 2.332 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -11.061 8.417 2.995 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -11.432 10.034 2.432 1.00 1.00 H new ATOM 1075 N ASP A 70 -13.755 9.483 4.329 1.00 1.00 N ATOM 1076 CA ASP A 70 -14.473 9.810 5.551 1.00 1.00 C ATOM 1077 C ASP A 70 -14.231 8.798 6.676 1.00 1.00 C ATOM 1078 O ASP A 70 -14.019 9.193 7.826 1.00 1.00 O ATOM 1079 CB ASP A 70 -15.978 9.878 5.250 1.00 1.00 C ATOM 1080 CG ASP A 70 -16.305 11.132 4.441 1.00 1.00 C ATOM 1081 OD1 ASP A 70 -15.459 12.010 4.376 1.00 1.00 O ATOM 1082 OD2 ASP A 70 -17.395 11.198 3.898 1.00 1.00 O ATOM 0 H ASP A 70 -14.358 9.249 3.541 1.00 1.00 H new ATOM 0 HA ASP A 70 -14.097 10.773 5.897 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -16.285 8.991 4.696 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -16.542 9.882 6.183 1.00 1.00 H new ATOM 1087 N ASP A 71 -14.317 7.496 6.364 1.00 1.00 N ATOM 1088 CA ASP A 71 -14.155 6.459 7.402 1.00 1.00 C ATOM 1089 C ASP A 71 -13.007 5.484 7.096 1.00 1.00 C ATOM 1090 O ASP A 71 -13.197 4.268 7.117 1.00 1.00 O ATOM 1091 CB ASP A 71 -15.459 5.679 7.534 1.00 1.00 C ATOM 1092 CG ASP A 71 -15.362 4.703 8.689 1.00 1.00 C ATOM 1093 OD1 ASP A 71 -14.277 4.564 9.234 1.00 1.00 O ATOM 1094 OD2 ASP A 71 -16.374 4.119 9.014 1.00 1.00 O ATOM 0 H ASP A 71 -14.493 7.139 5.425 1.00 1.00 H new ATOM 0 HA ASP A 71 -13.906 6.966 8.334 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -16.289 6.366 7.696 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -15.667 5.141 6.609 1.00 1.00 H new ATOM 1099 N VAL A 72 -11.811 6.020 6.831 1.00 1.00 N ATOM 1100 CA VAL A 72 -10.646 5.175 6.542 1.00 1.00 C ATOM 1101 C VAL A 72 -9.369 5.801 7.088 1.00 1.00 C ATOM 1102 O VAL A 72 -9.004 6.915 6.716 1.00 1.00 O ATOM 1103 CB VAL A 72 -10.519 4.954 5.026 1.00 1.00 C ATOM 1104 CG1 VAL A 72 -11.896 4.664 4.438 1.00 1.00 C ATOM 1105 CG2 VAL A 72 -9.939 6.201 4.348 1.00 1.00 C ATOM 0 H VAL A 72 -11.624 7.023 6.810 1.00 1.00 H new ATOM 0 HA VAL A 72 -10.791 4.213 7.034 1.00 1.00 H new ATOM 0 HB VAL A 72 -9.851 4.110 4.852 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -11.807 4.507 3.363 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -12.309 3.768 4.902 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -12.558 5.509 4.628 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -9.856 6.027 3.275 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -10.596 7.052 4.528 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -8.952 6.412 4.759 1.00 1.00 H new ATOM 1115 N SER A 73 -8.686 5.083 7.980 1.00 1.00 N ATOM 1116 CA SER A 73 -7.445 5.579 8.569 1.00 1.00 C ATOM 1117 C SER A 73 -6.461 4.420 8.728 1.00 1.00 C ATOM 1118 O SER A 73 -6.839 3.259 8.582 1.00 1.00 O ATOM 1119 CB SER A 73 -7.734 6.229 9.917 1.00 1.00 C ATOM 1120 OG SER A 73 -6.519 6.722 10.469 1.00 1.00 O ATOM 0 H SER A 73 -8.971 4.160 8.308 1.00 1.00 H new ATOM 0 HA SER A 73 -7.002 6.330 7.914 1.00 1.00 H new ATOM 0 HB2 SER A 73 -8.449 7.043 9.796 1.00 1.00 H new ATOM 0 HB3 SER A 73 -8.187 5.505 10.594 1.00 1.00 H new ATOM 0 HG SER A 73 -6.700 7.143 11.335 1.00 1.00 H new ATOM 1126 N LEU A 74 -5.193 4.737 8.970 1.00 1.00 N ATOM 1127 CA LEU A 74 -4.167 3.699 9.062 1.00 1.00 C ATOM 1128 C LEU A 74 -4.629 2.493 9.883 1.00 1.00 C ATOM 1129 O LEU A 74 -5.029 2.614 11.043 1.00 1.00 O ATOM 1130 CB LEU A 74 -2.880 4.275 9.676 1.00 1.00 C ATOM 1131 CG LEU A 74 -1.740 3.236 9.585 1.00 1.00 C ATOM 1132 CD1 LEU A 74 -1.440 2.913 8.100 1.00 1.00 C ATOM 1133 CD2 LEU A 74 -0.469 3.780 10.291 1.00 1.00 C ATOM 0 H LEU A 74 -4.852 5.689 9.105 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.973 3.354 8.046 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -2.594 5.187 9.152 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -3.054 4.546 10.717 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.049 2.319 10.086 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -0.635 2.180 8.042 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -2.335 2.507 7.628 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -1.138 3.824 7.583 1.00 1.00 H new ATOM 0 HD21 LEU A 74 0.330 3.041 10.222 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -0.152 4.704 9.808 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -0.692 3.977 11.340 1.00 1.00 H new ATOM 1145 N ASP A 75 -4.561 1.323 9.240 1.00 1.00 N ATOM 1146 CA ASP A 75 -4.953 0.054 9.860 1.00 1.00 C ATOM 1147 C ASP A 75 -3.729 -0.756 10.283 1.00 1.00 C ATOM 1148 O ASP A 75 -3.829 -1.624 11.149 1.00 1.00 O ATOM 1149 CB ASP A 75 -5.769 -0.780 8.871 1.00 1.00 C ATOM 1150 CG ASP A 75 -6.418 -1.966 9.587 1.00 1.00 C ATOM 1151 OD1 ASP A 75 -6.636 -1.866 10.785 1.00 1.00 O ATOM 1152 OD2 ASP A 75 -6.681 -2.959 8.929 1.00 1.00 O ATOM 0 H ASP A 75 -4.234 1.229 8.278 1.00 1.00 H new ATOM 0 HA ASP A 75 -5.549 0.288 10.742 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.538 -0.160 8.409 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -5.124 -1.139 8.069 1.00 1.00 H new ATOM 1157 N GLN A 76 -2.570 -0.469 9.683 1.00 1.00 N ATOM 1158 CA GLN A 76 -1.345 -1.188 10.031 1.00 1.00 C ATOM 1159 C GLN A 76 -0.118 -0.411 9.539 1.00 1.00 C ATOM 1160 O GLN A 76 -0.210 0.778 9.237 1.00 1.00 O ATOM 1161 CB GLN A 76 -1.356 -2.620 9.446 1.00 1.00 C ATOM 1162 CG GLN A 76 -0.664 -3.597 10.417 1.00 1.00 C ATOM 1163 CD GLN A 76 -0.515 -4.975 9.775 1.00 1.00 C ATOM 1164 OE1 GLN A 76 -1.446 -5.779 9.817 1.00 1.00 O ATOM 1165 NE2 GLN A 76 0.603 -5.300 9.176 1.00 1.00 N ATOM 0 H GLN A 76 -2.456 0.246 8.964 1.00 1.00 H new ATOM 0 HA GLN A 76 -1.293 -1.272 11.117 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -2.383 -2.940 9.267 1.00 1.00 H new ATOM 0 HB3 GLN A 76 -0.846 -2.631 8.483 1.00 1.00 H new ATOM 0 HG2 GLN A 76 0.317 -3.210 10.693 1.00 1.00 H new ATOM 0 HG3 GLN A 76 -1.245 -3.678 11.336 1.00 1.00 H new ATOM 0 HE21 GLN A 76 1.375 -4.634 9.141 1.00 1.00 H new ATOM 0 HE22 GLN A 76 0.702 -6.219 8.745 1.00 1.00 H new ATOM 1174 N ILE A 77 1.022 -1.095 9.452 1.00 1.00 N ATOM 1175 CA ILE A 77 2.270 -0.480 8.991 1.00 1.00 C ATOM 1176 C ILE A 77 3.189 -1.561 8.432 1.00 1.00 C ATOM 1177 O ILE A 77 3.435 -2.577 9.082 1.00 1.00 O ATOM 1178 CB ILE A 77 2.972 0.270 10.152 1.00 1.00 C ATOM 1179 CG1 ILE A 77 2.107 1.470 10.571 1.00 1.00 C ATOM 1180 CG2 ILE A 77 4.358 0.769 9.703 1.00 1.00 C ATOM 1181 CD1 ILE A 77 2.841 2.351 11.588 1.00 1.00 C ATOM 0 H ILE A 77 1.109 -2.082 9.696 1.00 1.00 H new ATOM 0 HA ILE A 77 2.041 0.244 8.209 1.00 1.00 H new ATOM 0 HB ILE A 77 3.099 -0.411 10.994 1.00 1.00 H new ATOM 0 HG12 ILE A 77 1.849 2.061 9.692 1.00 1.00 H new ATOM 0 HG13 ILE A 77 1.171 1.115 11.002 1.00 1.00 H new ATOM 0 HG21 ILE A 77 4.840 1.294 10.528 1.00 1.00 H new ATOM 0 HG22 ILE A 77 4.972 -0.081 9.405 1.00 1.00 H new ATOM 0 HG23 ILE A 77 4.244 1.448 8.858 1.00 1.00 H new ATOM 0 HD11 ILE A 77 2.206 3.192 11.866 1.00 1.00 H new ATOM 0 HD12 ILE A 77 3.075 1.764 12.476 1.00 1.00 H new ATOM 0 HD13 ILE A 77 3.765 2.725 11.146 1.00 1.00 H new ATOM 1193 N VAL A 78 3.707 -1.333 7.229 1.00 1.00 N ATOM 1194 CA VAL A 78 4.615 -2.286 6.594 1.00 1.00 C ATOM 1195 C VAL A 78 5.821 -1.537 6.026 1.00 1.00 C ATOM 1196 O VAL A 78 5.708 -0.905 4.977 1.00 1.00 O ATOM 1197 CB VAL A 78 3.898 -3.030 5.464 1.00 1.00 C ATOM 1198 CG1 VAL A 78 4.900 -3.967 4.772 1.00 1.00 C ATOM 1199 CG2 VAL A 78 2.724 -3.841 6.041 1.00 1.00 C ATOM 0 H VAL A 78 3.515 -0.499 6.674 1.00 1.00 H new ATOM 0 HA VAL A 78 4.947 -3.010 7.339 1.00 1.00 H new ATOM 0 HB VAL A 78 3.506 -2.317 4.738 1.00 1.00 H new ATOM 0 HG11 VAL A 78 4.400 -4.502 3.965 1.00 1.00 H new ATOM 0 HG12 VAL A 78 5.723 -3.381 4.363 1.00 1.00 H new ATOM 0 HG13 VAL A 78 5.289 -4.683 5.496 1.00 1.00 H new ATOM 0 HG21 VAL A 78 2.216 -4.369 5.234 1.00 1.00 H new ATOM 0 HG22 VAL A 78 3.101 -4.562 6.766 1.00 1.00 H new ATOM 0 HG23 VAL A 78 2.022 -3.167 6.532 1.00 1.00 H new ATOM 1209 N PRO A 79 6.966 -1.571 6.680 1.00 1.00 N ATOM 1210 CA PRO A 79 8.164 -0.840 6.190 1.00 1.00 C ATOM 1211 C PRO A 79 8.880 -1.616 5.093 1.00 1.00 C ATOM 1212 O PRO A 79 9.342 -2.736 5.331 1.00 1.00 O ATOM 1213 CB PRO A 79 9.045 -0.713 7.437 1.00 1.00 C ATOM 1214 CG PRO A 79 8.720 -1.921 8.260 1.00 1.00 C ATOM 1215 CD PRO A 79 7.262 -2.302 7.931 1.00 1.00 C ATOM 0 HA PRO A 79 7.913 0.123 5.746 1.00 1.00 H new ATOM 0 HB2 PRO A 79 10.102 -0.687 7.173 1.00 1.00 H new ATOM 0 HB3 PRO A 79 8.829 0.206 7.982 1.00 1.00 H new ATOM 0 HG2 PRO A 79 9.397 -2.743 8.026 1.00 1.00 H new ATOM 0 HG3 PRO A 79 8.834 -1.707 9.323 1.00 1.00 H new ATOM 0 HD2 PRO A 79 7.153 -3.378 7.798 1.00 1.00 H new ATOM 0 HD3 PRO A 79 6.584 -2.009 8.733 1.00 1.00 H new ATOM 1223 N LEU A 80 8.960 -1.020 3.898 1.00 1.00 N ATOM 1224 CA LEU A 80 9.619 -1.648 2.751 1.00 1.00 C ATOM 1225 C LEU A 80 10.727 -2.604 3.201 1.00 1.00 C ATOM 1226 O LEU A 80 10.525 -3.814 3.274 1.00 1.00 O ATOM 1227 CB LEU A 80 10.231 -0.544 1.862 1.00 1.00 C ATOM 1228 CG LEU A 80 9.187 0.027 0.887 1.00 1.00 C ATOM 1229 CD1 LEU A 80 8.778 -1.019 -0.166 1.00 1.00 C ATOM 1230 CD2 LEU A 80 7.967 0.492 1.684 1.00 1.00 C ATOM 0 H LEU A 80 8.573 -0.097 3.701 1.00 1.00 H new ATOM 0 HA LEU A 80 8.878 -2.223 2.196 1.00 1.00 H new ATOM 0 HB2 LEU A 80 10.623 0.257 2.490 1.00 1.00 H new ATOM 0 HB3 LEU A 80 11.073 -0.950 1.301 1.00 1.00 H new ATOM 0 HG LEU A 80 9.622 0.872 0.354 1.00 1.00 H new ATOM 0 HD11 LEU A 80 8.039 -0.586 -0.841 1.00 1.00 H new ATOM 0 HD12 LEU A 80 9.656 -1.324 -0.736 1.00 1.00 H new ATOM 0 HD13 LEU A 80 8.349 -1.888 0.332 1.00 1.00 H new ATOM 0 HD21 LEU A 80 7.220 0.899 1.002 1.00 1.00 H new ATOM 0 HD22 LEU A 80 7.542 -0.353 2.225 1.00 1.00 H new ATOM 0 HD23 LEU A 80 8.268 1.263 2.394 1.00 1.00 H new ATOM 1242 N SER A 81 11.886 -2.034 3.497 1.00 1.00 N ATOM 1243 CA SER A 81 13.045 -2.810 3.930 1.00 1.00 C ATOM 1244 C SER A 81 13.775 -3.362 2.710 1.00 1.00 C ATOM 1245 O SER A 81 13.157 -3.716 1.716 1.00 1.00 O ATOM 1246 CB SER A 81 12.620 -3.958 4.857 1.00 1.00 C ATOM 1247 OG SER A 81 13.710 -4.292 5.702 1.00 1.00 O ATOM 0 H SER A 81 12.052 -1.029 3.445 1.00 1.00 H new ATOM 0 HA SER A 81 13.715 -2.155 4.488 1.00 1.00 H new ATOM 0 HB2 SER A 81 11.757 -3.661 5.454 1.00 1.00 H new ATOM 0 HB3 SER A 81 12.318 -4.825 4.270 1.00 1.00 H new ATOM 0 HG SER A 81 13.449 -5.023 6.300 1.00 1.00 H new ATOM 1253 N LYS A 82 15.089 -3.409 2.775 1.00 1.00 N ATOM 1254 CA LYS A 82 15.867 -3.898 1.651 1.00 1.00 C ATOM 1255 C LYS A 82 15.415 -5.295 1.237 1.00 1.00 C ATOM 1256 O LYS A 82 15.472 -5.649 0.059 1.00 1.00 O ATOM 1257 CB LYS A 82 17.344 -3.924 2.029 1.00 1.00 C ATOM 1258 CG LYS A 82 17.554 -4.894 3.190 1.00 1.00 C ATOM 1259 CD LYS A 82 19.014 -4.846 3.620 1.00 1.00 C ATOM 1260 CE LYS A 82 19.260 -5.909 4.688 1.00 1.00 C ATOM 1261 NZ LYS A 82 18.505 -5.558 5.924 1.00 1.00 N ATOM 0 H LYS A 82 15.638 -3.119 3.584 1.00 1.00 H new ATOM 0 HA LYS A 82 15.713 -3.227 0.806 1.00 1.00 H new ATOM 0 HB2 LYS A 82 17.945 -4.230 1.172 1.00 1.00 H new ATOM 0 HB3 LYS A 82 17.676 -2.925 2.311 1.00 1.00 H new ATOM 0 HG2 LYS A 82 16.907 -4.627 4.025 1.00 1.00 H new ATOM 0 HG3 LYS A 82 17.284 -5.906 2.888 1.00 1.00 H new ATOM 0 HD2 LYS A 82 19.664 -5.019 2.762 1.00 1.00 H new ATOM 0 HD3 LYS A 82 19.258 -3.858 4.011 1.00 1.00 H new ATOM 0 HE2 LYS A 82 18.945 -6.886 4.322 1.00 1.00 H new ATOM 0 HE3 LYS A 82 20.325 -5.979 4.908 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 18.861 -6.124 6.721 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 18.632 -4.547 6.133 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 17.494 -5.758 5.782 1.00 1.00 H new ATOM 1275 N ASP A 83 14.983 -6.097 2.208 1.00 1.00 N ATOM 1276 CA ASP A 83 14.551 -7.462 1.915 1.00 1.00 C ATOM 1277 C ASP A 83 13.175 -7.477 1.249 1.00 1.00 C ATOM 1278 O ASP A 83 12.565 -8.533 1.084 1.00 1.00 O ATOM 1279 CB ASP A 83 14.519 -8.283 3.209 1.00 1.00 C ATOM 1280 CG ASP A 83 15.941 -8.486 3.724 1.00 1.00 C ATOM 1281 OD1 ASP A 83 16.861 -8.315 2.942 1.00 1.00 O ATOM 1282 OD2 ASP A 83 16.089 -8.810 4.891 1.00 1.00 O ATOM 0 H ASP A 83 14.923 -5.831 3.191 1.00 1.00 H new ATOM 0 HA ASP A 83 15.264 -7.905 1.220 1.00 1.00 H new ATOM 0 HB2 ASP A 83 13.919 -7.771 3.961 1.00 1.00 H new ATOM 0 HB3 ASP A 83 14.046 -9.248 3.027 1.00 1.00 H new ATOM 1287 N PHE A 84 12.709 -6.302 0.845 1.00 1.00 N ATOM 1288 CA PHE A 84 11.420 -6.187 0.170 1.00 1.00 C ATOM 1289 C PHE A 84 11.526 -6.768 -1.231 1.00 1.00 C ATOM 1290 O PHE A 84 12.549 -6.622 -1.900 1.00 1.00 O ATOM 1291 CB PHE A 84 11.002 -4.720 0.096 1.00 1.00 C ATOM 1292 CG PHE A 84 9.559 -4.576 -0.340 1.00 1.00 C ATOM 1293 CD1 PHE A 84 9.225 -4.556 -1.698 1.00 1.00 C ATOM 1294 CD2 PHE A 84 8.563 -4.410 0.629 1.00 1.00 C ATOM 1295 CE1 PHE A 84 7.889 -4.376 -2.085 1.00 1.00 C ATOM 1296 CE2 PHE A 84 7.234 -4.220 0.245 1.00 1.00 C ATOM 1297 CZ PHE A 84 6.895 -4.203 -1.113 1.00 1.00 C ATOM 0 H PHE A 84 13.201 -5.418 0.972 1.00 1.00 H new ATOM 0 HA PHE A 84 10.668 -6.740 0.732 1.00 1.00 H new ATOM 0 HB2 PHE A 84 11.137 -4.252 1.071 1.00 1.00 H new ATOM 0 HB3 PHE A 84 11.649 -4.191 -0.603 1.00 1.00 H new ATOM 0 HD1 PHE A 84 9.994 -4.679 -2.447 1.00 1.00 H new ATOM 0 HD2 PHE A 84 8.823 -4.429 1.677 1.00 1.00 H new ATOM 0 HE1 PHE A 84 7.626 -4.371 -3.133 1.00 1.00 H new ATOM 0 HE2 PHE A 84 6.468 -4.086 0.995 1.00 1.00 H new ATOM 0 HZ PHE A 84 5.867 -4.057 -1.411 1.00 1.00 H new ATOM 1307 N MET A 85 10.455 -7.409 -1.670 1.00 1.00 N ATOM 1308 CA MET A 85 10.414 -7.997 -3.000 1.00 1.00 C ATOM 1309 C MET A 85 8.984 -8.382 -3.357 1.00 1.00 C ATOM 1310 O MET A 85 8.212 -8.805 -2.495 1.00 1.00 O ATOM 1311 CB MET A 85 11.313 -9.233 -3.072 1.00 1.00 C ATOM 1312 CG MET A 85 11.347 -9.754 -4.512 1.00 1.00 C ATOM 1313 SD MET A 85 12.441 -11.194 -4.614 1.00 1.00 S ATOM 1314 CE MET A 85 11.446 -12.325 -3.608 1.00 1.00 C ATOM 0 H MET A 85 9.602 -7.536 -1.125 1.00 1.00 H new ATOM 0 HA MET A 85 10.778 -7.257 -3.713 1.00 1.00 H new ATOM 0 HB2 MET A 85 12.321 -8.983 -2.740 1.00 1.00 H new ATOM 0 HB3 MET A 85 10.940 -10.007 -2.402 1.00 1.00 H new ATOM 0 HG2 MET A 85 10.342 -10.025 -4.835 1.00 1.00 H new ATOM 0 HG3 MET A 85 11.697 -8.971 -5.184 1.00 1.00 H new ATOM 0 HE1 MET A 85 11.437 -13.312 -4.071 1.00 1.00 H new ATOM 0 HE2 MET A 85 11.875 -12.397 -2.609 1.00 1.00 H new ATOM 0 HE3 MET A 85 10.426 -11.948 -3.538 1.00 1.00 H new ATOM 1324 N LEU A 86 8.635 -8.235 -4.633 1.00 1.00 N ATOM 1325 CA LEU A 86 7.294 -8.572 -5.108 1.00 1.00 C ATOM 1326 C LEU A 86 7.371 -9.794 -6.020 1.00 1.00 C ATOM 1327 O LEU A 86 8.221 -9.853 -6.907 1.00 1.00 O ATOM 1328 CB LEU A 86 6.703 -7.382 -5.887 1.00 1.00 C ATOM 1329 CG LEU A 86 7.830 -6.611 -6.616 1.00 1.00 C ATOM 1330 CD1 LEU A 86 7.269 -5.957 -7.885 1.00 1.00 C ATOM 1331 CD2 LEU A 86 8.407 -5.512 -5.707 1.00 1.00 C ATOM 0 H LEU A 86 9.262 -7.885 -5.357 1.00 1.00 H new ATOM 0 HA LEU A 86 6.654 -8.794 -4.254 1.00 1.00 H new ATOM 0 HB2 LEU A 86 5.969 -7.739 -6.610 1.00 1.00 H new ATOM 0 HB3 LEU A 86 6.178 -6.714 -5.204 1.00 1.00 H new ATOM 0 HG LEU A 86 8.620 -7.317 -6.874 1.00 1.00 H new ATOM 0 HD11 LEU A 86 8.064 -5.415 -8.397 1.00 1.00 H new ATOM 0 HD12 LEU A 86 6.871 -6.727 -8.546 1.00 1.00 H new ATOM 0 HD13 LEU A 86 6.472 -5.264 -7.615 1.00 1.00 H new ATOM 0 HD21 LEU A 86 9.198 -4.980 -6.236 1.00 1.00 H new ATOM 0 HD22 LEU A 86 7.617 -4.811 -5.437 1.00 1.00 H new ATOM 0 HD23 LEU A 86 8.815 -5.964 -4.803 1.00 1.00 H new ATOM 1343 N GLU A 87 6.483 -10.764 -5.804 1.00 1.00 N ATOM 1344 CA GLU A 87 6.466 -11.979 -6.621 1.00 1.00 C ATOM 1345 C GLU A 87 5.190 -12.059 -7.448 1.00 1.00 C ATOM 1346 O GLU A 87 4.081 -12.038 -6.910 1.00 1.00 O ATOM 1347 CB GLU A 87 6.557 -13.212 -5.721 1.00 1.00 C ATOM 1348 CG GLU A 87 7.941 -13.272 -5.072 1.00 1.00 C ATOM 1349 CD GLU A 87 8.016 -14.457 -4.115 1.00 1.00 C ATOM 1350 OE1 GLU A 87 7.017 -15.143 -3.974 1.00 1.00 O ATOM 1351 OE2 GLU A 87 9.070 -14.659 -3.537 1.00 1.00 O ATOM 0 H GLU A 87 5.770 -10.734 -5.075 1.00 1.00 H new ATOM 0 HA GLU A 87 7.322 -11.947 -7.295 1.00 1.00 H new ATOM 0 HB2 GLU A 87 5.785 -13.172 -4.952 1.00 1.00 H new ATOM 0 HB3 GLU A 87 6.378 -14.115 -6.305 1.00 1.00 H new ATOM 0 HG2 GLU A 87 8.709 -13.365 -5.840 1.00 1.00 H new ATOM 0 HG3 GLU A 87 8.140 -12.346 -4.533 1.00 1.00 H new ATOM 1358 N GLU A 88 5.357 -12.174 -8.757 1.00 1.00 N ATOM 1359 CA GLU A 88 4.215 -12.283 -9.654 1.00 1.00 C ATOM 1360 C GLU A 88 3.535 -13.631 -9.448 1.00 1.00 C ATOM 1361 O GLU A 88 4.206 -14.645 -9.251 1.00 1.00 O ATOM 1362 CB GLU A 88 4.670 -12.150 -11.108 1.00 1.00 C ATOM 1363 CG GLU A 88 5.138 -10.717 -11.375 1.00 1.00 C ATOM 1364 CD GLU A 88 5.671 -10.604 -12.799 1.00 1.00 C ATOM 1365 OE1 GLU A 88 5.697 -11.614 -13.483 1.00 1.00 O ATOM 1366 OE2 GLU A 88 6.047 -9.509 -13.185 1.00 1.00 O ATOM 0 H GLU A 88 6.266 -12.194 -9.220 1.00 1.00 H new ATOM 0 HA GLU A 88 3.510 -11.481 -9.433 1.00 1.00 H new ATOM 0 HB2 GLU A 88 5.480 -12.851 -11.311 1.00 1.00 H new ATOM 0 HB3 GLU A 88 3.851 -12.406 -11.780 1.00 1.00 H new ATOM 0 HG2 GLU A 88 4.311 -10.022 -11.230 1.00 1.00 H new ATOM 0 HG3 GLU A 88 5.915 -10.440 -10.663 1.00 1.00 H new ATOM 1373 N VAL A 89 2.202 -13.652 -9.510 1.00 1.00 N ATOM 1374 CA VAL A 89 1.450 -14.902 -9.341 1.00 1.00 C ATOM 1375 C VAL A 89 0.360 -15.017 -10.397 1.00 1.00 C ATOM 1376 O VAL A 89 -0.290 -14.033 -10.749 1.00 1.00 O ATOM 1377 CB VAL A 89 0.822 -14.964 -7.956 1.00 1.00 C ATOM 1378 CG1 VAL A 89 0.154 -16.325 -7.763 1.00 1.00 C ATOM 1379 CG2 VAL A 89 1.908 -14.769 -6.900 1.00 1.00 C ATOM 0 H VAL A 89 1.624 -12.828 -9.674 1.00 1.00 H new ATOM 0 HA VAL A 89 2.147 -15.732 -9.455 1.00 1.00 H new ATOM 0 HB VAL A 89 0.074 -14.177 -7.855 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -0.297 -16.372 -6.772 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -0.619 -16.462 -8.520 1.00 1.00 H new ATOM 0 HG13 VAL A 89 0.900 -17.114 -7.860 1.00 1.00 H new ATOM 0 HG21 VAL A 89 1.462 -14.813 -5.907 1.00 1.00 H new ATOM 0 HG22 VAL A 89 2.655 -15.556 -6.997 1.00 1.00 H new ATOM 0 HG23 VAL A 89 2.383 -13.798 -7.042 1.00 1.00 H new ATOM 1389 N SER A 90 0.167 -16.226 -10.896 1.00 1.00 N ATOM 1390 CA SER A 90 -0.843 -16.472 -11.918 1.00 1.00 C ATOM 1391 C SER A 90 -2.254 -16.364 -11.316 1.00 1.00 C ATOM 1392 O SER A 90 -2.503 -16.910 -10.242 1.00 1.00 O ATOM 1393 CB SER A 90 -0.651 -17.868 -12.507 1.00 1.00 C ATOM 1394 OG SER A 90 0.558 -17.900 -13.256 1.00 1.00 O ATOM 0 H SER A 90 0.694 -17.052 -10.613 1.00 1.00 H new ATOM 0 HA SER A 90 -0.733 -15.723 -12.702 1.00 1.00 H new ATOM 0 HB2 SER A 90 -0.618 -18.610 -11.710 1.00 1.00 H new ATOM 0 HB3 SER A 90 -1.495 -18.125 -13.147 1.00 1.00 H new ATOM 0 HG SER A 90 0.685 -18.795 -13.634 1.00 1.00 H new ATOM 1533 N SER A 100 -8.934 -6.918 -16.263 1.00 1.00 N ATOM 1534 CA SER A 100 -9.467 -5.885 -15.375 1.00 1.00 C ATOM 1535 C SER A 100 -9.181 -6.269 -13.927 1.00 1.00 C ATOM 1536 O SER A 100 -10.028 -6.114 -13.049 1.00 1.00 O ATOM 1537 CB SER A 100 -10.974 -5.726 -15.595 1.00 1.00 C ATOM 1538 OG SER A 100 -11.573 -7.008 -15.716 1.00 1.00 O ATOM 0 HA SER A 100 -8.985 -4.933 -15.597 1.00 1.00 H new ATOM 0 HB2 SER A 100 -11.419 -5.182 -14.761 1.00 1.00 H new ATOM 0 HB3 SER A 100 -11.161 -5.139 -16.494 1.00 1.00 H new ATOM 0 HG SER A 100 -10.930 -7.634 -16.110 1.00 1.00 H new ATOM 1544 N ASP A 101 -7.963 -6.761 -13.703 1.00 1.00 N ATOM 1545 CA ASP A 101 -7.512 -7.174 -12.373 1.00 1.00 C ATOM 1546 C ASP A 101 -5.989 -7.334 -12.376 1.00 1.00 C ATOM 1547 O ASP A 101 -5.408 -7.769 -13.369 1.00 1.00 O ATOM 1548 CB ASP A 101 -8.164 -8.510 -11.973 1.00 1.00 C ATOM 1549 CG ASP A 101 -9.604 -8.297 -11.505 1.00 1.00 C ATOM 1550 OD1 ASP A 101 -9.895 -7.224 -11.003 1.00 1.00 O ATOM 1551 OD2 ASP A 101 -10.390 -9.223 -11.636 1.00 1.00 O ATOM 0 H ASP A 101 -7.263 -6.884 -14.435 1.00 1.00 H new ATOM 0 HA ASP A 101 -7.803 -6.410 -11.652 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -8.151 -9.194 -12.822 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -7.584 -8.978 -11.177 1.00 1.00 H new ATOM 1556 N VAL A 102 -5.348 -6.983 -11.259 1.00 1.00 N ATOM 1557 CA VAL A 102 -3.887 -7.099 -11.140 1.00 1.00 C ATOM 1558 C VAL A 102 -3.538 -8.010 -9.976 1.00 1.00 C ATOM 1559 O VAL A 102 -4.069 -7.860 -8.884 1.00 1.00 O ATOM 1560 CB VAL A 102 -3.259 -5.719 -10.924 1.00 1.00 C ATOM 1561 CG1 VAL A 102 -1.764 -5.868 -10.618 1.00 1.00 C ATOM 1562 CG2 VAL A 102 -3.450 -4.876 -12.189 1.00 1.00 C ATOM 0 H VAL A 102 -5.811 -6.618 -10.427 1.00 1.00 H new ATOM 0 HA VAL A 102 -3.492 -7.523 -12.063 1.00 1.00 H new ATOM 0 HB VAL A 102 -3.743 -5.226 -10.081 1.00 1.00 H new ATOM 0 HG11 VAL A 102 -1.324 -4.883 -10.466 1.00 1.00 H new ATOM 0 HG12 VAL A 102 -1.635 -6.466 -9.716 1.00 1.00 H new ATOM 0 HG13 VAL A 102 -1.269 -6.361 -11.455 1.00 1.00 H new ATOM 0 HG21 VAL A 102 -3.005 -3.892 -12.041 1.00 1.00 H new ATOM 0 HG22 VAL A 102 -2.967 -5.370 -13.032 1.00 1.00 H new ATOM 0 HG23 VAL A 102 -4.515 -4.765 -12.395 1.00 1.00 H new ATOM 1572 N THR A 103 -2.632 -8.950 -10.227 1.00 1.00 N ATOM 1573 CA THR A 103 -2.212 -9.895 -9.190 1.00 1.00 C ATOM 1574 C THR A 103 -0.775 -9.629 -8.757 1.00 1.00 C ATOM 1575 O THR A 103 0.168 -9.799 -9.531 1.00 1.00 O ATOM 1576 CB THR A 103 -2.340 -11.331 -9.715 1.00 1.00 C ATOM 1577 OG1 THR A 103 -3.545 -11.453 -10.461 1.00 1.00 O ATOM 1578 CG2 THR A 103 -2.381 -12.304 -8.536 1.00 1.00 C ATOM 0 H THR A 103 -2.176 -9.080 -11.130 1.00 1.00 H new ATOM 0 HA THR A 103 -2.860 -9.764 -8.323 1.00 1.00 H new ATOM 0 HB THR A 103 -1.486 -11.562 -10.351 1.00 1.00 H new ATOM 0 HG1 THR A 103 -3.629 -12.369 -10.799 1.00 1.00 H new ATOM 0 HG21 THR A 103 -2.472 -13.324 -8.909 1.00 1.00 H new ATOM 0 HG22 THR A 103 -1.463 -12.211 -7.955 1.00 1.00 H new ATOM 0 HG23 THR A 103 -3.237 -12.072 -7.902 1.00 1.00 H new ATOM 1586 N VAL A 104 -0.628 -9.213 -7.501 1.00 1.00 N ATOM 1587 CA VAL A 104 0.678 -8.917 -6.921 1.00 1.00 C ATOM 1588 C VAL A 104 0.780 -9.575 -5.545 1.00 1.00 C ATOM 1589 O VAL A 104 -0.159 -9.515 -4.749 1.00 1.00 O ATOM 1590 CB VAL A 104 0.862 -7.395 -6.807 1.00 1.00 C ATOM 1591 CG1 VAL A 104 0.016 -6.850 -5.653 1.00 1.00 C ATOM 1592 CG2 VAL A 104 2.339 -7.071 -6.558 1.00 1.00 C ATOM 0 H VAL A 104 -1.408 -9.072 -6.859 1.00 1.00 H new ATOM 0 HA VAL A 104 1.465 -9.313 -7.562 1.00 1.00 H new ATOM 0 HB VAL A 104 0.540 -6.928 -7.738 1.00 1.00 H new ATOM 0 HG11 VAL A 104 0.153 -5.771 -5.580 1.00 1.00 H new ATOM 0 HG12 VAL A 104 -1.035 -7.071 -5.837 1.00 1.00 H new ATOM 0 HG13 VAL A 104 0.328 -7.319 -4.720 1.00 1.00 H new ATOM 0 HG21 VAL A 104 2.466 -5.991 -6.478 1.00 1.00 H new ATOM 0 HG22 VAL A 104 2.664 -7.545 -5.632 1.00 1.00 H new ATOM 0 HG23 VAL A 104 2.939 -7.446 -7.387 1.00 1.00 H new ATOM 1602 N GLN A 105 1.917 -10.208 -5.275 1.00 1.00 N ATOM 1603 CA GLN A 105 2.136 -10.889 -3.997 1.00 1.00 C ATOM 1604 C GLN A 105 3.333 -10.292 -3.277 1.00 1.00 C ATOM 1605 O GLN A 105 4.459 -10.383 -3.765 1.00 1.00 O ATOM 1606 CB GLN A 105 2.384 -12.379 -4.261 1.00 1.00 C ATOM 1607 CG GLN A 105 2.111 -13.188 -2.992 1.00 1.00 C ATOM 1608 CD GLN A 105 3.099 -12.799 -1.899 1.00 1.00 C ATOM 1609 OE1 GLN A 105 4.294 -13.057 -2.022 1.00 1.00 O ATOM 1610 NE2 GLN A 105 2.673 -12.177 -0.835 1.00 1.00 N ATOM 0 H GLN A 105 2.703 -10.265 -5.922 1.00 1.00 H new ATOM 0 HA GLN A 105 1.255 -10.764 -3.368 1.00 1.00 H new ATOM 0 HB2 GLN A 105 1.740 -12.726 -5.069 1.00 1.00 H new ATOM 0 HB3 GLN A 105 3.413 -12.533 -4.586 1.00 1.00 H new ATOM 0 HG2 GLN A 105 1.091 -13.010 -2.651 1.00 1.00 H new ATOM 0 HG3 GLN A 105 2.195 -14.254 -3.206 1.00 1.00 H new ATOM 0 HE21 GLN A 105 1.681 -11.963 -0.732 1.00 1.00 H new ATOM 0 HE22 GLN A 105 3.332 -11.905 -0.105 1.00 1.00 H new ATOM 1619 N LEU A 106 3.092 -9.650 -2.136 1.00 1.00 N ATOM 1620 CA LEU A 106 4.169 -9.017 -1.391 1.00 1.00 C ATOM 1621 C LEU A 106 4.944 -10.030 -0.561 1.00 1.00 C ATOM 1622 O LEU A 106 4.367 -10.777 0.207 1.00 1.00 O ATOM 1623 CB LEU A 106 3.587 -7.975 -0.432 1.00 1.00 C ATOM 1624 CG LEU A 106 2.896 -6.827 -1.189 1.00 1.00 C ATOM 1625 CD1 LEU A 106 3.890 -6.120 -2.124 1.00 1.00 C ATOM 1626 CD2 LEU A 106 1.697 -7.356 -1.992 1.00 1.00 C ATOM 0 H LEU A 106 2.168 -9.557 -1.713 1.00 1.00 H new ATOM 0 HA LEU A 106 4.840 -8.555 -2.115 1.00 1.00 H new ATOM 0 HB2 LEU A 106 2.870 -8.454 0.235 1.00 1.00 H new ATOM 0 HB3 LEU A 106 4.383 -7.571 0.193 1.00 1.00 H new ATOM 0 HG LEU A 106 2.534 -6.105 -0.457 1.00 1.00 H new ATOM 0 HD11 LEU A 106 3.383 -5.312 -2.650 1.00 1.00 H new ATOM 0 HD12 LEU A 106 4.713 -5.711 -1.538 1.00 1.00 H new ATOM 0 HD13 LEU A 106 4.280 -6.835 -2.848 1.00 1.00 H new ATOM 0 HD21 LEU A 106 1.221 -6.530 -2.521 1.00 1.00 H new ATOM 0 HD22 LEU A 106 2.041 -8.098 -2.712 1.00 1.00 H new ATOM 0 HD23 LEU A 106 0.978 -7.815 -1.313 1.00 1.00 H new ATOM 1638 N ASN A 107 6.250 -10.068 -0.770 1.00 1.00 N ATOM 1639 CA ASN A 107 7.115 -11.020 -0.060 1.00 1.00 C ATOM 1640 C ASN A 107 8.120 -10.325 0.856 1.00 1.00 C ATOM 1641 O ASN A 107 9.324 -10.366 0.606 1.00 1.00 O ATOM 1642 CB ASN A 107 7.861 -11.872 -1.072 1.00 1.00 C ATOM 1643 CG ASN A 107 6.886 -12.406 -2.110 1.00 1.00 C ATOM 1644 OD1 ASN A 107 6.387 -11.592 -2.997 1.00 1.00 O flip ATOM 1645 ND2 ASN A 107 6.570 -13.595 -2.113 1.00 1.00 N flip ATOM 0 H ASN A 107 6.741 -9.456 -1.422 1.00 1.00 H new ATOM 0 HA ASN A 107 6.475 -11.639 0.568 1.00 1.00 H new ATOM 0 HB2 ASN A 107 8.637 -11.281 -1.558 1.00 1.00 H new ATOM 0 HB3 ASN A 107 8.360 -12.700 -0.568 1.00 1.00 H new ATOM 0 HD21 ASN A 107 6.963 -14.229 -1.417 1.00 1.00 H new ATOM 0 HD22 ASN A 107 5.915 -13.947 -2.811 1.00 1.00 H new ATOM 1652 N THR A 108 7.632 -9.689 1.922 1.00 1.00 N ATOM 1653 CA THR A 108 8.535 -9.012 2.839 1.00 1.00 C ATOM 1654 C THR A 108 9.281 -10.044 3.683 1.00 1.00 C ATOM 1655 O THR A 108 8.950 -11.228 3.674 1.00 1.00 O ATOM 1656 CB THR A 108 7.754 -8.049 3.752 1.00 1.00 C ATOM 1657 OG1 THR A 108 6.543 -7.679 3.112 1.00 1.00 O ATOM 1658 CG2 THR A 108 8.584 -6.792 4.032 1.00 1.00 C ATOM 0 H THR A 108 6.643 -9.631 2.164 1.00 1.00 H new ATOM 0 HA THR A 108 9.254 -8.432 2.260 1.00 1.00 H new ATOM 0 HB THR A 108 7.540 -8.549 4.697 1.00 1.00 H new ATOM 0 HG1 THR A 108 6.119 -6.950 3.611 1.00 1.00 H new ATOM 0 HG21 THR A 108 8.020 -6.120 4.679 1.00 1.00 H new ATOM 0 HG22 THR A 108 9.515 -7.073 4.525 1.00 1.00 H new ATOM 0 HG23 THR A 108 8.809 -6.288 3.092 1.00 1.00 H new ATOM 1666 N ALA A 109 10.293 -9.576 4.393 1.00 1.00 N ATOM 1667 CA ALA A 109 11.103 -10.452 5.229 1.00 1.00 C ATOM 1668 C ALA A 109 10.229 -11.375 6.079 1.00 1.00 C ATOM 1669 O ALA A 109 10.602 -12.519 6.341 1.00 1.00 O ATOM 1670 CB ALA A 109 11.983 -9.607 6.147 1.00 1.00 C ATOM 0 H ALA A 109 10.575 -8.596 4.409 1.00 1.00 H new ATOM 0 HA ALA A 109 11.720 -11.069 4.576 1.00 1.00 H new ATOM 0 HB1 ALA A 109 12.590 -10.261 6.773 1.00 1.00 H new ATOM 0 HB2 ALA A 109 12.635 -8.974 5.545 1.00 1.00 H new ATOM 0 HB3 ALA A 109 11.353 -8.981 6.779 1.00 1.00 H new ATOM 1676 N GLU A 110 9.066 -10.883 6.507 1.00 1.00 N ATOM 1677 CA GLU A 110 8.149 -11.685 7.328 1.00 1.00 C ATOM 1678 C GLU A 110 6.715 -11.557 6.824 1.00 1.00 C ATOM 1679 O GLU A 110 5.957 -12.529 6.844 1.00 1.00 O ATOM 1680 CB GLU A 110 8.225 -11.224 8.786 1.00 1.00 C ATOM 1681 CG GLU A 110 8.128 -9.701 8.837 1.00 1.00 C ATOM 1682 CD GLU A 110 8.171 -9.223 10.280 1.00 1.00 C ATOM 1683 OE1 GLU A 110 8.117 -10.061 11.163 1.00 1.00 O ATOM 1684 OE2 GLU A 110 8.247 -8.021 10.481 1.00 1.00 O ATOM 0 H GLU A 110 8.735 -9.940 6.302 1.00 1.00 H new ATOM 0 HA GLU A 110 8.448 -12.731 7.257 1.00 1.00 H new ATOM 0 HB2 GLU A 110 7.416 -11.671 9.364 1.00 1.00 H new ATOM 0 HB3 GLU A 110 9.160 -11.556 9.237 1.00 1.00 H new ATOM 0 HG2 GLU A 110 8.949 -9.257 8.274 1.00 1.00 H new ATOM 0 HG3 GLU A 110 7.203 -9.372 8.364 1.00 1.00 H new ATOM 1691 N LEU A 111 6.336 -10.359 6.379 1.00 1.00 N ATOM 1692 CA LEU A 111 4.985 -10.145 5.887 1.00 1.00 C ATOM 1693 C LEU A 111 4.839 -10.750 4.509 1.00 1.00 C ATOM 1694 O LEU A 111 5.767 -10.726 3.702 1.00 1.00 O ATOM 1695 CB LEU A 111 4.642 -8.646 5.850 1.00 1.00 C ATOM 1696 CG LEU A 111 4.362 -8.124 7.275 1.00 1.00 C ATOM 1697 CD1 LEU A 111 4.466 -6.590 7.284 1.00 1.00 C ATOM 1698 CD2 LEU A 111 2.952 -8.548 7.745 1.00 1.00 C ATOM 0 H LEU A 111 6.939 -9.536 6.351 1.00 1.00 H new ATOM 0 HA LEU A 111 4.288 -10.633 6.569 1.00 1.00 H new ATOM 0 HB2 LEU A 111 5.467 -8.088 5.407 1.00 1.00 H new ATOM 0 HB3 LEU A 111 3.770 -8.481 5.217 1.00 1.00 H new ATOM 0 HG LEU A 111 5.098 -8.551 7.956 1.00 1.00 H new ATOM 0 HD11 LEU A 111 4.269 -6.218 8.289 1.00 1.00 H new ATOM 0 HD12 LEU A 111 5.468 -6.291 6.977 1.00 1.00 H new ATOM 0 HD13 LEU A 111 3.735 -6.172 6.592 1.00 1.00 H new ATOM 0 HD21 LEU A 111 2.775 -8.170 8.752 1.00 1.00 H new ATOM 0 HD22 LEU A 111 2.204 -8.138 7.067 1.00 1.00 H new ATOM 0 HD23 LEU A 111 2.881 -9.636 7.748 1.00 1.00 H new ATOM 1710 N LYS A 112 3.661 -11.291 4.248 1.00 1.00 N ATOM 1711 CA LYS A 112 3.382 -11.901 2.967 1.00 1.00 C ATOM 1712 C LYS A 112 1.886 -11.981 2.747 1.00 1.00 C ATOM 1713 O LYS A 112 1.185 -12.743 3.416 1.00 1.00 O ATOM 1714 CB LYS A 112 4.010 -13.296 2.878 1.00 1.00 C ATOM 1715 CG LYS A 112 3.866 -13.826 1.447 1.00 1.00 C ATOM 1716 CD LYS A 112 4.550 -15.192 1.324 1.00 1.00 C ATOM 1717 CE LYS A 112 4.414 -15.709 -0.112 1.00 1.00 C ATOM 1718 NZ LYS A 112 5.079 -17.038 -0.225 1.00 1.00 N ATOM 0 H LYS A 112 2.885 -11.318 4.909 1.00 1.00 H new ATOM 0 HA LYS A 112 3.823 -11.282 2.186 1.00 1.00 H new ATOM 0 HB2 LYS A 112 5.063 -13.252 3.158 1.00 1.00 H new ATOM 0 HB3 LYS A 112 3.522 -13.973 3.579 1.00 1.00 H new ATOM 0 HG2 LYS A 112 2.811 -13.913 1.187 1.00 1.00 H new ATOM 0 HG3 LYS A 112 4.311 -13.122 0.743 1.00 1.00 H new ATOM 0 HD2 LYS A 112 5.603 -15.108 1.592 1.00 1.00 H new ATOM 0 HD3 LYS A 112 4.099 -15.899 2.020 1.00 1.00 H new ATOM 0 HE2 LYS A 112 3.361 -15.793 -0.382 1.00 1.00 H new ATOM 0 HE3 LYS A 112 4.866 -15.003 -0.809 1.00 1.00 H new ATOM 0 HZ1 LYS A 112 4.988 -17.390 -1.199 1.00 1.00 H new ATOM 0 HZ2 LYS A 112 6.086 -16.944 0.016 1.00 1.00 H new ATOM 0 HZ3 LYS A 112 4.628 -17.709 0.429 1.00 1.00 H new ATOM 1732 N LEU A 113 1.395 -11.177 1.811 1.00 1.00 N ATOM 1733 CA LEU A 113 -0.042 -11.153 1.511 1.00 1.00 C ATOM 1734 C LEU A 113 -0.285 -11.076 0.010 1.00 1.00 C ATOM 1735 O LEU A 113 0.643 -10.873 -0.772 1.00 1.00 O ATOM 1736 CB LEU A 113 -0.710 -9.963 2.208 1.00 1.00 C ATOM 1737 CG LEU A 113 -0.905 -10.241 3.708 1.00 1.00 C ATOM 1738 CD1 LEU A 113 -1.477 -8.984 4.387 1.00 1.00 C ATOM 1739 CD2 LEU A 113 -1.843 -11.457 3.938 1.00 1.00 C ATOM 0 H LEU A 113 1.958 -10.538 1.250 1.00 1.00 H new ATOM 0 HA LEU A 113 -0.480 -12.079 1.884 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -0.099 -9.070 2.076 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -1.675 -9.760 1.744 1.00 1.00 H new ATOM 0 HG LEU A 113 0.062 -10.485 4.148 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -1.617 -9.177 5.451 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -0.784 -8.153 4.257 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -2.436 -8.731 3.935 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -1.961 -11.628 5.008 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -2.817 -11.254 3.493 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -1.410 -12.343 3.474 1.00 1.00 H new ATOM 1751 N VAL A 114 -1.553 -11.235 -0.384 1.00 1.00 N ATOM 1752 CA VAL A 114 -1.934 -11.179 -1.799 1.00 1.00 C ATOM 1753 C VAL A 114 -3.005 -10.101 -2.008 1.00 1.00 C ATOM 1754 O VAL A 114 -4.033 -10.107 -1.330 1.00 1.00 O ATOM 1755 CB VAL A 114 -2.492 -12.548 -2.249 1.00 1.00 C ATOM 1756 CG1 VAL A 114 -2.305 -12.714 -3.766 1.00 1.00 C ATOM 1757 CG2 VAL A 114 -1.772 -13.681 -1.498 1.00 1.00 C ATOM 0 H VAL A 114 -2.330 -11.403 0.255 1.00 1.00 H new ATOM 0 HA VAL A 114 -1.052 -10.935 -2.392 1.00 1.00 H new ATOM 0 HB VAL A 114 -3.556 -12.594 -2.017 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -2.700 -13.681 -4.078 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -2.838 -11.919 -4.287 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -1.244 -12.660 -4.010 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -2.171 -14.643 -1.821 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -0.704 -13.640 -1.714 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -1.930 -13.564 -0.426 1.00 1.00 H new ATOM 1767 N PHE A 115 -2.764 -9.179 -2.946 1.00 1.00 N ATOM 1768 CA PHE A 115 -3.721 -8.100 -3.231 1.00 1.00 C ATOM 1769 C PHE A 115 -4.152 -8.128 -4.696 1.00 1.00 C ATOM 1770 O PHE A 115 -3.338 -8.351 -5.594 1.00 1.00 O ATOM 1771 CB PHE A 115 -3.087 -6.737 -2.926 1.00 1.00 C ATOM 1772 CG PHE A 115 -2.946 -6.566 -1.434 1.00 1.00 C ATOM 1773 CD1 PHE A 115 -1.794 -7.030 -0.799 1.00 1.00 C ATOM 1774 CD2 PHE A 115 -3.967 -5.962 -0.681 1.00 1.00 C ATOM 1775 CE1 PHE A 115 -1.649 -6.892 0.582 1.00 1.00 C ATOM 1776 CE2 PHE A 115 -3.824 -5.830 0.707 1.00 1.00 C ATOM 1777 CZ PHE A 115 -2.660 -6.297 1.339 1.00 1.00 C ATOM 0 H PHE A 115 -1.920 -9.156 -3.519 1.00 1.00 H new ATOM 0 HA PHE A 115 -4.595 -8.252 -2.598 1.00 1.00 H new ATOM 0 HB2 PHE A 115 -2.110 -6.664 -3.404 1.00 1.00 H new ATOM 0 HB3 PHE A 115 -3.704 -5.938 -3.337 1.00 1.00 H new ATOM 0 HD1 PHE A 115 -1.012 -7.498 -1.378 1.00 1.00 H new ATOM 0 HD2 PHE A 115 -4.859 -5.601 -1.170 1.00 1.00 H new ATOM 0 HE1 PHE A 115 -0.752 -7.247 1.067 1.00 1.00 H new ATOM 0 HE2 PHE A 115 -4.608 -5.370 1.290 1.00 1.00 H new ATOM 0 HZ PHE A 115 -2.547 -6.196 2.408 1.00 1.00 H new ATOM 1787 N GLN A 116 -5.442 -7.894 -4.926 1.00 1.00 N ATOM 1788 CA GLN A 116 -6.001 -7.878 -6.278 1.00 1.00 C ATOM 1789 C GLN A 116 -6.401 -6.450 -6.658 1.00 1.00 C ATOM 1790 O GLN A 116 -7.528 -6.027 -6.408 1.00 1.00 O ATOM 1791 CB GLN A 116 -7.230 -8.789 -6.338 1.00 1.00 C ATOM 1792 CG GLN A 116 -7.637 -9.004 -7.795 1.00 1.00 C ATOM 1793 CD GLN A 116 -6.592 -9.839 -8.524 1.00 1.00 C ATOM 1794 OE1 GLN A 116 -5.901 -9.292 -9.480 1.00 1.00 O flip ATOM 1795 NE2 GLN A 116 -6.387 -11.009 -8.197 1.00 1.00 N flip ATOM 0 H GLN A 116 -6.124 -7.712 -4.190 1.00 1.00 H new ATOM 0 HA GLN A 116 -5.249 -8.238 -6.980 1.00 1.00 H new ATOM 0 HB2 GLN A 116 -7.009 -9.747 -5.866 1.00 1.00 H new ATOM 0 HB3 GLN A 116 -8.054 -8.342 -5.782 1.00 1.00 H new ATOM 0 HG2 GLN A 116 -8.605 -9.504 -7.838 1.00 1.00 H new ATOM 0 HG3 GLN A 116 -7.753 -8.041 -8.292 1.00 1.00 H new ATOM 0 HE21 GLN A 116 -6.933 -11.432 -7.446 1.00 1.00 H new ATOM 0 HE22 GLN A 116 -5.671 -11.555 -8.677 1.00 1.00 H new ATOM 1804 N LEU A 117 -5.467 -5.706 -7.260 1.00 1.00 N ATOM 1805 CA LEU A 117 -5.721 -4.321 -7.663 1.00 1.00 C ATOM 1806 C LEU A 117 -6.279 -4.265 -9.091 1.00 1.00 C ATOM 1807 O LEU A 117 -6.044 -5.175 -9.878 1.00 1.00 O ATOM 1808 CB LEU A 117 -4.398 -3.542 -7.572 1.00 1.00 C ATOM 1809 CG LEU A 117 -4.015 -3.335 -6.092 1.00 1.00 C ATOM 1810 CD1 LEU A 117 -2.513 -3.069 -5.976 1.00 1.00 C ATOM 1811 CD2 LEU A 117 -4.769 -2.137 -5.509 1.00 1.00 C ATOM 0 H LEU A 117 -4.529 -6.041 -7.478 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.464 -3.875 -7.002 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -3.608 -4.087 -8.089 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -4.498 -2.577 -8.070 1.00 1.00 H new ATOM 0 HG LEU A 117 -4.279 -4.237 -5.540 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -2.249 -2.924 -4.928 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -1.961 -3.920 -6.375 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -2.257 -2.173 -6.542 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -4.488 -2.004 -4.464 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -4.514 -1.238 -6.071 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -5.842 -2.315 -5.576 1.00 1.00 H new ATOM 1823 N PRO A 118 -7.023 -3.237 -9.450 1.00 1.00 N ATOM 1824 CA PRO A 118 -7.608 -3.128 -10.823 1.00 1.00 C ATOM 1825 C PRO A 118 -6.587 -2.675 -11.870 1.00 1.00 C ATOM 1826 O PRO A 118 -5.761 -1.800 -11.618 1.00 1.00 O ATOM 1827 CB PRO A 118 -8.728 -2.100 -10.645 1.00 1.00 C ATOM 1828 CG PRO A 118 -8.249 -1.203 -9.550 1.00 1.00 C ATOM 1829 CD PRO A 118 -7.392 -2.074 -8.614 1.00 1.00 C ATOM 0 HA PRO A 118 -7.958 -4.089 -11.199 1.00 1.00 H new ATOM 0 HB2 PRO A 118 -8.904 -1.543 -11.565 1.00 1.00 H new ATOM 0 HB3 PRO A 118 -9.669 -2.582 -10.379 1.00 1.00 H new ATOM 0 HG2 PRO A 118 -7.664 -0.376 -9.954 1.00 1.00 H new ATOM 0 HG3 PRO A 118 -9.090 -0.766 -9.011 1.00 1.00 H new ATOM 0 HD2 PRO A 118 -6.510 -1.537 -8.265 1.00 1.00 H new ATOM 0 HD3 PRO A 118 -7.951 -2.379 -7.729 1.00 1.00 H new ATOM 1837 N PHE A 119 -6.633 -3.313 -13.033 1.00 1.00 N ATOM 1838 CA PHE A 119 -5.706 -3.033 -14.130 1.00 1.00 C ATOM 1839 C PHE A 119 -5.852 -1.633 -14.707 1.00 1.00 C ATOM 1840 O PHE A 119 -6.950 -1.080 -14.783 1.00 1.00 O ATOM 1841 CB PHE A 119 -5.948 -4.053 -15.241 1.00 1.00 C ATOM 1842 CG PHE A 119 -4.919 -3.888 -16.331 1.00 1.00 C ATOM 1843 CD1 PHE A 119 -3.594 -4.254 -16.090 1.00 1.00 C ATOM 1844 CD2 PHE A 119 -5.288 -3.378 -17.585 1.00 1.00 C ATOM 1845 CE1 PHE A 119 -2.633 -4.115 -17.098 1.00 1.00 C ATOM 1846 CE2 PHE A 119 -4.328 -3.241 -18.594 1.00 1.00 C ATOM 1847 CZ PHE A 119 -3.000 -3.608 -18.350 1.00 1.00 C ATOM 0 H PHE A 119 -7.315 -4.041 -13.246 1.00 1.00 H new ATOM 0 HA PHE A 119 -4.697 -3.103 -13.724 1.00 1.00 H new ATOM 0 HB2 PHE A 119 -5.899 -5.063 -14.834 1.00 1.00 H new ATOM 0 HB3 PHE A 119 -6.949 -3.923 -15.653 1.00 1.00 H new ATOM 0 HD1 PHE A 119 -3.310 -4.645 -15.124 1.00 1.00 H new ATOM 0 HD2 PHE A 119 -6.312 -3.091 -17.771 1.00 1.00 H new ATOM 0 HE1 PHE A 119 -1.608 -4.399 -16.910 1.00 1.00 H new ATOM 0 HE2 PHE A 119 -4.612 -2.852 -19.561 1.00 1.00 H new ATOM 0 HZ PHE A 119 -2.258 -3.500 -19.128 1.00 1.00 H new ATOM 1857 N GLY A 120 -4.710 -1.076 -15.116 1.00 1.00 N ATOM 1858 CA GLY A 120 -4.668 0.259 -15.708 1.00 1.00 C ATOM 1859 C GLY A 120 -3.399 1.001 -15.318 1.00 1.00 C ATOM 1860 O GLY A 120 -2.625 0.538 -14.478 1.00 1.00 O ATOM 0 H GLY A 120 -3.800 -1.532 -15.047 1.00 1.00 H new ATOM 0 HA2 GLY A 120 -4.725 0.179 -16.794 1.00 1.00 H new ATOM 0 HA3 GLY A 120 -5.539 0.829 -15.384 1.00 1.00 H new ATOM 1864 N SER A 121 -3.196 2.162 -15.928 1.00 1.00 N ATOM 1865 CA SER A 121 -2.025 2.971 -15.633 1.00 1.00 C ATOM 1866 C SER A 121 -2.068 3.431 -14.183 1.00 1.00 C ATOM 1867 O SER A 121 -1.041 3.771 -13.596 1.00 1.00 O ATOM 1868 CB SER A 121 -1.979 4.184 -16.561 1.00 1.00 C ATOM 1869 OG SER A 121 -3.173 4.940 -16.409 1.00 1.00 O ATOM 0 H SER A 121 -3.824 2.561 -16.626 1.00 1.00 H new ATOM 0 HA SER A 121 -1.130 2.370 -15.792 1.00 1.00 H new ATOM 0 HB2 SER A 121 -1.112 4.802 -16.327 1.00 1.00 H new ATOM 0 HB3 SER A 121 -1.870 3.860 -17.596 1.00 1.00 H new ATOM 0 HG SER A 121 -3.144 5.719 -17.002 1.00 1.00 H new ATOM 1875 N HIS A 122 -3.266 3.439 -13.609 1.00 1.00 N ATOM 1876 CA HIS A 122 -3.432 3.861 -12.227 1.00 1.00 C ATOM 1877 C HIS A 122 -2.713 2.902 -11.278 1.00 1.00 C ATOM 1878 O HIS A 122 -1.989 3.338 -10.383 1.00 1.00 O ATOM 1879 CB HIS A 122 -4.921 3.919 -11.867 1.00 1.00 C ATOM 1880 CG HIS A 122 -5.097 4.483 -10.478 1.00 1.00 C ATOM 1881 ND1 HIS A 122 -4.989 5.841 -10.209 1.00 1.00 N ATOM 1882 CD2 HIS A 122 -5.390 3.888 -9.276 1.00 1.00 C ATOM 1883 CE1 HIS A 122 -5.217 6.014 -8.893 1.00 1.00 C ATOM 1884 NE2 HIS A 122 -5.467 4.856 -8.277 1.00 1.00 N ATOM 0 H HIS A 122 -4.129 3.160 -14.076 1.00 1.00 H new ATOM 0 HA HIS A 122 -2.995 4.854 -12.120 1.00 1.00 H new ATOM 0 HB2 HIS A 122 -5.454 4.537 -12.589 1.00 1.00 H new ATOM 0 HB3 HIS A 122 -5.355 2.921 -11.920 1.00 1.00 H new ATOM 0 HD2 HIS A 122 -5.539 2.829 -9.127 1.00 1.00 H new ATOM 0 HE1 HIS A 122 -5.200 6.973 -8.396 1.00 1.00 H new ATOM 0 HE2 HIS A 122 -5.671 4.711 -7.288 1.00 1.00 H new ATOM 1892 N THR A 123 -2.903 1.596 -11.474 1.00 1.00 N ATOM 1893 CA THR A 123 -2.250 0.611 -10.620 1.00 1.00 C ATOM 1894 C THR A 123 -0.777 0.447 -10.978 1.00 1.00 C ATOM 1895 O THR A 123 0.077 0.342 -10.098 1.00 1.00 O ATOM 1896 CB THR A 123 -2.953 -0.739 -10.727 1.00 1.00 C ATOM 1897 OG1 THR A 123 -4.282 -0.606 -10.250 1.00 1.00 O ATOM 1898 CG2 THR A 123 -2.206 -1.778 -9.884 1.00 1.00 C ATOM 0 H THR A 123 -3.495 1.203 -12.206 1.00 1.00 H new ATOM 0 HA THR A 123 -2.316 0.976 -9.595 1.00 1.00 H new ATOM 0 HB THR A 123 -2.965 -1.066 -11.767 1.00 1.00 H new ATOM 0 HG1 THR A 123 -4.910 -0.866 -10.956 1.00 1.00 H new ATOM 0 HG21 THR A 123 -2.711 -2.741 -9.962 1.00 1.00 H new ATOM 0 HG22 THR A 123 -1.183 -1.874 -10.247 1.00 1.00 H new ATOM 0 HG23 THR A 123 -2.193 -1.459 -8.842 1.00 1.00 H new ATOM 1906 N ARG A 124 -0.492 0.405 -12.275 1.00 1.00 N ATOM 1907 CA ARG A 124 0.875 0.222 -12.754 1.00 1.00 C ATOM 1908 C ARG A 124 1.799 1.298 -12.210 1.00 1.00 C ATOM 1909 O ARG A 124 2.964 1.033 -11.922 1.00 1.00 O ATOM 1910 CB ARG A 124 0.902 0.260 -14.290 1.00 1.00 C ATOM 1911 CG ARG A 124 2.343 0.123 -14.808 1.00 1.00 C ATOM 1912 CD ARG A 124 2.990 -1.165 -14.282 1.00 1.00 C ATOM 1913 NE ARG A 124 2.011 -2.243 -14.238 1.00 1.00 N ATOM 1914 CZ ARG A 124 2.389 -3.516 -14.214 1.00 1.00 C ATOM 1915 NH1 ARG A 124 3.659 -3.819 -14.227 1.00 1.00 N ATOM 1916 NH2 ARG A 124 1.489 -4.459 -14.171 1.00 1.00 N ATOM 0 H ARG A 124 -1.189 0.495 -13.014 1.00 1.00 H new ATOM 0 HA ARG A 124 1.226 -0.747 -12.400 1.00 1.00 H new ATOM 0 HB2 ARG A 124 0.287 -0.546 -14.690 1.00 1.00 H new ATOM 0 HB3 ARG A 124 0.470 1.196 -14.644 1.00 1.00 H new ATOM 0 HG2 ARG A 124 2.344 0.117 -15.898 1.00 1.00 H new ATOM 0 HG3 ARG A 124 2.931 0.985 -14.494 1.00 1.00 H new ATOM 0 HD2 ARG A 124 3.824 -1.449 -14.923 1.00 1.00 H new ATOM 0 HD3 ARG A 124 3.398 -0.994 -13.286 1.00 1.00 H new ATOM 0 HE ARG A 124 1.017 -2.016 -14.225 1.00 1.00 H new ATOM 0 HH11 ARG A 124 4.360 -3.078 -14.256 1.00 1.00 H new ATOM 0 HH12 ARG A 124 3.950 -4.796 -14.209 1.00 1.00 H new ATOM 0 HH21 ARG A 124 0.498 -4.218 -14.156 1.00 1.00 H new ATOM 0 HH22 ARG A 124 1.776 -5.438 -14.153 1.00 1.00 H new ATOM 1930 N THR A 125 1.280 2.505 -12.064 1.00 1.00 N ATOM 1931 CA THR A 125 2.082 3.606 -11.553 1.00 1.00 C ATOM 1932 C THR A 125 2.601 3.276 -10.158 1.00 1.00 C ATOM 1933 O THR A 125 3.749 3.566 -9.824 1.00 1.00 O ATOM 1934 CB THR A 125 1.246 4.880 -11.502 1.00 1.00 C ATOM 1935 OG1 THR A 125 0.794 5.190 -12.811 1.00 1.00 O ATOM 1936 CG2 THR A 125 2.105 6.026 -10.974 1.00 1.00 C ATOM 0 H THR A 125 0.315 2.748 -12.290 1.00 1.00 H new ATOM 0 HA THR A 125 2.930 3.760 -12.220 1.00 1.00 H new ATOM 0 HB THR A 125 0.390 4.736 -10.843 1.00 1.00 H new ATOM 0 HG1 THR A 125 -0.158 4.972 -12.888 1.00 1.00 H new ATOM 0 HG21 THR A 125 1.510 6.939 -10.936 1.00 1.00 H new ATOM 0 HG22 THR A 125 2.461 5.783 -9.973 1.00 1.00 H new ATOM 0 HG23 THR A 125 2.958 6.176 -11.636 1.00 1.00 H new ATOM 1944 N PHE A 126 1.737 2.684 -9.340 1.00 1.00 N ATOM 1945 CA PHE A 126 2.114 2.338 -7.975 1.00 1.00 C ATOM 1946 C PHE A 126 3.361 1.452 -7.953 1.00 1.00 C ATOM 1947 O PHE A 126 4.273 1.683 -7.160 1.00 1.00 O ATOM 1948 CB PHE A 126 0.964 1.604 -7.285 1.00 1.00 C ATOM 1949 CG PHE A 126 1.302 1.396 -5.829 1.00 1.00 C ATOM 1950 CD1 PHE A 126 2.113 0.324 -5.437 1.00 1.00 C ATOM 1951 CD2 PHE A 126 0.800 2.277 -4.866 1.00 1.00 C ATOM 1952 CE1 PHE A 126 2.417 0.134 -4.085 1.00 1.00 C ATOM 1953 CE2 PHE A 126 1.101 2.089 -3.517 1.00 1.00 C ATOM 1954 CZ PHE A 126 1.910 1.018 -3.123 1.00 1.00 C ATOM 0 H PHE A 126 0.781 2.436 -9.595 1.00 1.00 H new ATOM 0 HA PHE A 126 2.335 3.264 -7.445 1.00 1.00 H new ATOM 0 HB2 PHE A 126 0.043 2.180 -7.377 1.00 1.00 H new ATOM 0 HB3 PHE A 126 0.789 0.643 -7.770 1.00 1.00 H new ATOM 0 HD1 PHE A 126 2.504 -0.356 -6.179 1.00 1.00 H new ATOM 0 HD2 PHE A 126 0.177 3.106 -5.168 1.00 1.00 H new ATOM 0 HE1 PHE A 126 3.042 -0.693 -3.783 1.00 1.00 H new ATOM 0 HE2 PHE A 126 0.709 2.771 -2.776 1.00 1.00 H new ATOM 0 HZ PHE A 126 2.144 0.873 -2.079 1.00 1.00 H new ATOM 1964 N LEU A 127 3.384 0.420 -8.794 1.00 1.00 N ATOM 1965 CA LEU A 127 4.514 -0.508 -8.812 1.00 1.00 C ATOM 1966 C LEU A 127 5.834 0.227 -9.009 1.00 1.00 C ATOM 1967 O LEU A 127 6.826 -0.090 -8.357 1.00 1.00 O ATOM 1968 CB LEU A 127 4.366 -1.502 -9.968 1.00 1.00 C ATOM 1969 CG LEU A 127 2.958 -2.094 -9.986 1.00 1.00 C ATOM 1970 CD1 LEU A 127 2.884 -3.202 -11.046 1.00 1.00 C ATOM 1971 CD2 LEU A 127 2.621 -2.666 -8.605 1.00 1.00 C ATOM 0 H LEU A 127 2.645 0.206 -9.463 1.00 1.00 H new ATOM 0 HA LEU A 127 4.517 -1.024 -7.852 1.00 1.00 H new ATOM 0 HB2 LEU A 127 4.569 -1.001 -10.915 1.00 1.00 H new ATOM 0 HB3 LEU A 127 5.101 -2.300 -9.866 1.00 1.00 H new ATOM 0 HG LEU A 127 2.237 -1.314 -10.231 1.00 1.00 H new ATOM 0 HD11 LEU A 127 1.880 -3.626 -11.060 1.00 1.00 H new ATOM 0 HD12 LEU A 127 3.115 -2.784 -12.026 1.00 1.00 H new ATOM 0 HD13 LEU A 127 3.604 -3.984 -10.806 1.00 1.00 H new ATOM 0 HD21 LEU A 127 1.616 -3.088 -8.621 1.00 1.00 H new ATOM 0 HD22 LEU A 127 3.338 -3.446 -8.350 1.00 1.00 H new ATOM 0 HD23 LEU A 127 2.669 -1.871 -7.860 1.00 1.00 H new ATOM 1983 N GLN A 128 5.861 1.175 -9.939 1.00 1.00 N ATOM 1984 CA GLN A 128 7.084 1.908 -10.234 1.00 1.00 C ATOM 1985 C GLN A 128 7.602 2.668 -9.011 1.00 1.00 C ATOM 1986 O GLN A 128 8.809 2.710 -8.764 1.00 1.00 O ATOM 1987 CB GLN A 128 6.812 2.891 -11.376 1.00 1.00 C ATOM 1988 CG GLN A 128 6.110 2.160 -12.533 1.00 1.00 C ATOM 1989 CD GLN A 128 6.938 0.963 -13.000 1.00 1.00 C ATOM 1990 OE1 GLN A 128 8.156 1.068 -13.134 1.00 1.00 O ATOM 1991 NE2 GLN A 128 6.346 -0.171 -13.278 1.00 1.00 N ATOM 0 H GLN A 128 5.054 1.452 -10.498 1.00 1.00 H new ATOM 0 HA GLN A 128 7.851 1.190 -10.523 1.00 1.00 H new ATOM 0 HB2 GLN A 128 6.190 3.712 -11.021 1.00 1.00 H new ATOM 0 HB3 GLN A 128 7.748 3.328 -11.724 1.00 1.00 H new ATOM 0 HG2 GLN A 128 5.124 1.823 -12.212 1.00 1.00 H new ATOM 0 HG3 GLN A 128 5.956 2.848 -13.364 1.00 1.00 H new ATOM 0 HE21 GLN A 128 5.336 -0.260 -13.167 1.00 1.00 H new ATOM 0 HE22 GLN A 128 6.895 -0.966 -13.605 1.00 1.00 H new ATOM 2000 N GLU A 129 6.697 3.275 -8.251 1.00 1.00 N ATOM 2001 CA GLU A 129 7.099 4.031 -7.069 1.00 1.00 C ATOM 2002 C GLU A 129 7.733 3.121 -6.022 1.00 1.00 C ATOM 2003 O GLU A 129 8.609 3.550 -5.273 1.00 1.00 O ATOM 2004 CB GLU A 129 5.891 4.742 -6.456 1.00 1.00 C ATOM 2005 CG GLU A 129 5.369 5.814 -7.417 1.00 1.00 C ATOM 2006 CD GLU A 129 6.412 6.911 -7.598 1.00 1.00 C ATOM 2007 OE1 GLU A 129 7.287 7.013 -6.753 1.00 1.00 O ATOM 2008 OE2 GLU A 129 6.325 7.631 -8.579 1.00 1.00 O ATOM 0 H GLU A 129 5.693 3.260 -8.428 1.00 1.00 H new ATOM 0 HA GLU A 129 7.837 4.769 -7.384 1.00 1.00 H new ATOM 0 HB2 GLU A 129 5.104 4.019 -6.242 1.00 1.00 H new ATOM 0 HB3 GLU A 129 6.171 5.199 -5.507 1.00 1.00 H new ATOM 0 HG2 GLU A 129 5.132 5.364 -8.381 1.00 1.00 H new ATOM 0 HG3 GLU A 129 4.444 6.241 -7.029 1.00 1.00 H new ATOM 2015 N VAL A 130 7.287 1.873 -5.966 1.00 1.00 N ATOM 2016 CA VAL A 130 7.830 0.936 -4.992 1.00 1.00 C ATOM 2017 C VAL A 130 9.329 0.735 -5.227 1.00 1.00 C ATOM 2018 O VAL A 130 10.123 0.792 -4.292 1.00 1.00 O ATOM 2019 CB VAL A 130 7.092 -0.405 -5.102 1.00 1.00 C ATOM 2020 CG1 VAL A 130 7.776 -1.455 -4.223 1.00 1.00 C ATOM 2021 CG2 VAL A 130 5.640 -0.220 -4.646 1.00 1.00 C ATOM 0 H VAL A 130 6.562 1.490 -6.573 1.00 1.00 H new ATOM 0 HA VAL A 130 7.689 1.342 -3.990 1.00 1.00 H new ATOM 0 HB VAL A 130 7.113 -0.744 -6.138 1.00 1.00 H new ATOM 0 HG11 VAL A 130 7.245 -2.403 -4.308 1.00 1.00 H new ATOM 0 HG12 VAL A 130 8.808 -1.587 -4.549 1.00 1.00 H new ATOM 0 HG13 VAL A 130 7.764 -1.124 -3.185 1.00 1.00 H new ATOM 0 HG21 VAL A 130 5.111 -1.170 -4.722 1.00 1.00 H new ATOM 0 HG22 VAL A 130 5.624 0.122 -3.611 1.00 1.00 H new ATOM 0 HG23 VAL A 130 5.151 0.520 -5.280 1.00 1.00 H new ATOM 2031 N ALA A 131 9.692 0.495 -6.482 1.00 1.00 N ATOM 2032 CA ALA A 131 11.094 0.267 -6.858 1.00 1.00 C ATOM 2033 C ALA A 131 12.003 1.399 -6.375 1.00 1.00 C ATOM 2034 O ALA A 131 13.118 1.151 -5.917 1.00 1.00 O ATOM 2035 CB ALA A 131 11.206 0.144 -8.379 1.00 1.00 C ATOM 0 H ALA A 131 9.037 0.452 -7.263 1.00 1.00 H new ATOM 0 HA ALA A 131 11.419 -0.657 -6.379 1.00 1.00 H new ATOM 0 HB1 ALA A 131 12.247 -0.025 -8.655 1.00 1.00 H new ATOM 0 HB2 ALA A 131 10.599 -0.694 -8.722 1.00 1.00 H new ATOM 0 HB3 ALA A 131 10.852 1.063 -8.845 1.00 1.00 H new ATOM 2041 N ARG A 132 11.530 2.633 -6.477 1.00 1.00 N ATOM 2042 CA ARG A 132 12.327 3.779 -6.039 1.00 1.00 C ATOM 2043 C ARG A 132 12.365 3.866 -4.514 1.00 1.00 C ATOM 2044 O ARG A 132 13.273 4.462 -3.936 1.00 1.00 O ATOM 2045 CB ARG A 132 11.753 5.071 -6.626 1.00 1.00 C ATOM 2046 CG ARG A 132 12.015 5.096 -8.134 1.00 1.00 C ATOM 2047 CD ARG A 132 11.393 6.349 -8.750 1.00 1.00 C ATOM 2048 NE ARG A 132 11.676 6.397 -10.182 1.00 1.00 N ATOM 2049 CZ ARG A 132 10.907 5.762 -11.062 1.00 1.00 C ATOM 2050 NH1 ARG A 132 9.879 5.068 -10.652 1.00 1.00 N ATOM 2051 NH2 ARG A 132 11.183 5.827 -12.336 1.00 1.00 N ATOM 0 H ARG A 132 10.612 2.869 -6.853 1.00 1.00 H new ATOM 0 HA ARG A 132 13.347 3.645 -6.398 1.00 1.00 H new ATOM 0 HB2 ARG A 132 10.683 5.130 -6.429 1.00 1.00 H new ATOM 0 HB3 ARG A 132 12.213 5.937 -6.150 1.00 1.00 H new ATOM 0 HG2 ARG A 132 13.088 5.080 -8.326 1.00 1.00 H new ATOM 0 HG3 ARG A 132 11.595 4.204 -8.600 1.00 1.00 H new ATOM 0 HD2 ARG A 132 10.316 6.349 -8.584 1.00 1.00 H new ATOM 0 HD3 ARG A 132 11.791 7.239 -8.263 1.00 1.00 H new ATOM 0 HE ARG A 132 12.480 6.929 -10.514 1.00 1.00 H new ATOM 0 HH11 ARG A 132 9.665 5.013 -9.656 1.00 1.00 H new ATOM 0 HH12 ARG A 132 9.290 4.581 -11.328 1.00 1.00 H new ATOM 0 HH21 ARG A 132 11.988 6.365 -12.657 1.00 1.00 H new ATOM 0 HH22 ARG A 132 10.593 5.340 -13.011 1.00 1.00 H new ATOM 2065 N ALA A 133 11.361 3.279 -3.873 1.00 1.00 N ATOM 2066 CA ALA A 133 11.266 3.303 -2.418 1.00 1.00 C ATOM 2067 C ALA A 133 12.504 2.694 -1.759 1.00 1.00 C ATOM 2068 O ALA A 133 12.860 3.078 -0.646 1.00 1.00 O ATOM 2069 CB ALA A 133 10.020 2.537 -1.972 1.00 1.00 C ATOM 0 H ALA A 133 10.602 2.781 -4.337 1.00 1.00 H new ATOM 0 HA ALA A 133 11.198 4.345 -2.105 1.00 1.00 H new ATOM 0 HB1 ALA A 133 9.951 2.556 -0.884 1.00 1.00 H new ATOM 0 HB2 ALA A 133 9.133 3.004 -2.400 1.00 1.00 H new ATOM 0 HB3 ALA A 133 10.086 1.504 -2.313 1.00 1.00 H new ATOM 2075 N CYS A 134 13.173 1.770 -2.452 1.00 1.00 N ATOM 2076 CA CYS A 134 14.383 1.150 -1.903 1.00 1.00 C ATOM 2077 C CYS A 134 14.863 -0.038 -2.761 1.00 1.00 C ATOM 2078 O CYS A 134 16.058 -0.153 -3.034 1.00 1.00 O ATOM 2079 CB CYS A 134 14.146 0.711 -0.435 1.00 1.00 C ATOM 2080 SG CYS A 134 14.872 1.926 0.703 1.00 1.00 S ATOM 0 H CYS A 134 12.905 1.438 -3.378 1.00 1.00 H new ATOM 0 HA CYS A 134 15.175 1.899 -1.922 1.00 1.00 H new ATOM 0 HB2 CYS A 134 13.077 0.615 -0.244 1.00 1.00 H new ATOM 0 HB3 CYS A 134 14.590 -0.270 -0.264 1.00 1.00 H new ATOM 0 HG CYS A 134 14.244 3.058 0.587 1.00 1.00 H new ATOM 2086 N PRO A 135 13.981 -0.917 -3.184 1.00 1.00 N ATOM 2087 CA PRO A 135 14.370 -2.102 -4.013 1.00 1.00 C ATOM 2088 C PRO A 135 15.220 -1.717 -5.221 1.00 1.00 C ATOM 2089 O PRO A 135 16.201 -2.395 -5.523 1.00 1.00 O ATOM 2090 CB PRO A 135 13.025 -2.698 -4.453 1.00 1.00 C ATOM 2091 CG PRO A 135 12.045 -2.250 -3.416 1.00 1.00 C ATOM 2092 CD PRO A 135 12.537 -0.887 -2.924 1.00 1.00 C ATOM 0 HA PRO A 135 14.989 -2.803 -3.452 1.00 1.00 H new ATOM 0 HB2 PRO A 135 12.741 -2.343 -5.444 1.00 1.00 H new ATOM 0 HB3 PRO A 135 13.074 -3.786 -4.506 1.00 1.00 H new ATOM 0 HG2 PRO A 135 11.042 -2.173 -3.836 1.00 1.00 H new ATOM 0 HG3 PRO A 135 11.993 -2.965 -2.595 1.00 1.00 H new ATOM 0 HD2 PRO A 135 12.052 -0.070 -3.459 1.00 1.00 H new ATOM 0 HD3 PRO A 135 12.325 -0.745 -1.864 1.00 1.00 H new ATOM 2232 N GLU A 145 14.750 1.435 8.082 1.00 1.00 N ATOM 2233 CA GLU A 145 14.858 2.642 8.894 1.00 1.00 C ATOM 2234 C GLU A 145 13.475 3.057 9.382 1.00 1.00 C ATOM 2235 O GLU A 145 12.899 4.034 8.900 1.00 1.00 O ATOM 2236 CB GLU A 145 15.486 3.780 8.081 1.00 1.00 C ATOM 2237 CG GLU A 145 15.731 4.999 8.982 1.00 1.00 C ATOM 2238 CD GLU A 145 16.884 4.723 9.943 1.00 1.00 C ATOM 2239 OE1 GLU A 145 17.531 3.701 9.787 1.00 1.00 O ATOM 2240 OE2 GLU A 145 17.099 5.538 10.827 1.00 1.00 O ATOM 0 HA GLU A 145 15.497 2.433 9.752 1.00 1.00 H new ATOM 0 HB2 GLU A 145 16.427 3.448 7.642 1.00 1.00 H new ATOM 0 HB3 GLU A 145 14.828 4.054 7.256 1.00 1.00 H new ATOM 0 HG2 GLU A 145 15.959 5.872 8.370 1.00 1.00 H new ATOM 0 HG3 GLU A 145 14.827 5.232 9.545 1.00 1.00 H new ATOM 2247 N PHE A 146 12.949 2.304 10.343 1.00 1.00 N ATOM 2248 CA PHE A 146 11.628 2.583 10.903 1.00 1.00 C ATOM 2249 C PHE A 146 11.745 3.495 12.122 1.00 1.00 C ATOM 2250 O PHE A 146 10.861 3.530 12.977 1.00 1.00 O ATOM 2251 CB PHE A 146 10.953 1.268 11.291 1.00 1.00 C ATOM 2252 CG PHE A 146 11.890 0.450 12.140 1.00 1.00 C ATOM 2253 CD1 PHE A 146 12.826 -0.393 11.533 1.00 1.00 C ATOM 2254 CD2 PHE A 146 11.824 0.536 13.533 1.00 1.00 C ATOM 2255 CE1 PHE A 146 13.694 -1.153 12.321 1.00 1.00 C ATOM 2256 CE2 PHE A 146 12.692 -0.223 14.322 1.00 1.00 C ATOM 2257 CZ PHE A 146 13.630 -1.068 13.716 1.00 1.00 C ATOM 0 H PHE A 146 13.417 1.495 10.752 1.00 1.00 H new ATOM 0 HA PHE A 146 11.024 3.092 10.152 1.00 1.00 H new ATOM 0 HB2 PHE A 146 10.032 1.468 11.838 1.00 1.00 H new ATOM 0 HB3 PHE A 146 10.678 0.711 10.396 1.00 1.00 H new ATOM 0 HD1 PHE A 146 12.878 -0.457 10.456 1.00 1.00 H new ATOM 0 HD2 PHE A 146 11.102 1.189 14.000 1.00 1.00 H new ATOM 0 HE1 PHE A 146 14.415 -1.807 11.853 1.00 1.00 H new ATOM 0 HE2 PHE A 146 12.640 -0.158 15.399 1.00 1.00 H new ATOM 0 HZ PHE A 146 14.303 -1.653 14.325 1.00 1.00 H new ATOM 2267 N GLU A 147 12.857 4.213 12.193 1.00 1.00 N ATOM 2268 CA GLU A 147 13.121 5.117 13.310 1.00 1.00 C ATOM 2269 C GLU A 147 12.057 6.215 13.422 1.00 1.00 C ATOM 2270 O GLU A 147 11.698 6.623 14.528 1.00 1.00 O ATOM 2271 CB GLU A 147 14.496 5.760 13.123 1.00 1.00 C ATOM 2272 CG GLU A 147 14.844 6.603 14.350 1.00 1.00 C ATOM 2273 CD GLU A 147 16.236 7.202 14.189 1.00 1.00 C ATOM 2274 OE1 GLU A 147 16.954 6.758 13.309 1.00 1.00 O ATOM 2275 OE2 GLU A 147 16.564 8.096 14.951 1.00 1.00 O ATOM 0 H GLU A 147 13.595 4.189 11.489 1.00 1.00 H new ATOM 0 HA GLU A 147 13.094 4.532 14.229 1.00 1.00 H new ATOM 0 HB2 GLU A 147 15.251 4.988 12.974 1.00 1.00 H new ATOM 0 HB3 GLU A 147 14.497 6.384 12.229 1.00 1.00 H new ATOM 0 HG2 GLU A 147 14.109 7.398 14.477 1.00 1.00 H new ATOM 0 HG3 GLU A 147 14.805 5.987 15.248 1.00 1.00 H new ATOM 2282 N TRP A 148 11.565 6.705 12.285 1.00 1.00 N ATOM 2283 CA TRP A 148 10.554 7.768 12.298 1.00 1.00 C ATOM 2284 C TRP A 148 9.140 7.203 12.472 1.00 1.00 C ATOM 2285 O TRP A 148 8.230 7.921 12.889 1.00 1.00 O ATOM 2286 CB TRP A 148 10.646 8.615 11.021 1.00 1.00 C ATOM 2287 CG TRP A 148 10.526 7.744 9.819 1.00 1.00 C ATOM 2288 CD1 TRP A 148 11.479 6.891 9.377 1.00 1.00 C ATOM 2289 CD2 TRP A 148 9.417 7.643 8.883 1.00 1.00 C ATOM 2290 NE1 TRP A 148 11.014 6.254 8.243 1.00 1.00 N ATOM 2291 CE2 TRP A 148 9.749 6.685 7.897 1.00 1.00 C ATOM 2292 CE3 TRP A 148 8.162 8.272 8.798 1.00 1.00 C ATOM 2293 CZ2 TRP A 148 8.870 6.365 6.862 1.00 1.00 C ATOM 2294 CZ3 TRP A 148 7.275 7.955 7.757 1.00 1.00 C ATOM 2295 CH2 TRP A 148 7.627 7.001 6.790 1.00 1.00 C ATOM 0 H TRP A 148 11.843 6.391 11.355 1.00 1.00 H new ATOM 0 HA TRP A 148 10.759 8.407 13.157 1.00 1.00 H new ATOM 0 HB2 TRP A 148 9.856 9.366 11.016 1.00 1.00 H new ATOM 0 HB3 TRP A 148 11.595 9.151 10.998 1.00 1.00 H new ATOM 0 HD1 TRP A 148 12.444 6.734 9.835 1.00 1.00 H new ATOM 0 HE1 TRP A 148 11.541 5.551 7.725 1.00 1.00 H new ATOM 0 HE3 TRP A 148 7.878 9.005 9.539 1.00 1.00 H new ATOM 0 HZ2 TRP A 148 9.148 5.630 6.121 1.00 1.00 H new ATOM 0 HZ3 TRP A 148 6.316 8.448 7.700 1.00 1.00 H new ATOM 0 HH2 TRP A 148 6.940 6.759 5.993 1.00 1.00 H new ATOM 2306 N LEU A 149 8.958 5.915 12.170 1.00 1.00 N ATOM 2307 CA LEU A 149 7.645 5.284 12.319 1.00 1.00 C ATOM 2308 C LEU A 149 7.204 5.358 13.779 1.00 1.00 C ATOM 2309 O LEU A 149 6.030 5.577 14.064 1.00 1.00 O ATOM 2310 CB LEU A 149 7.702 3.816 11.859 1.00 1.00 C ATOM 2311 CG LEU A 149 7.504 3.718 10.339 1.00 1.00 C ATOM 2312 CD1 LEU A 149 8.430 4.703 9.618 1.00 1.00 C ATOM 2313 CD2 LEU A 149 7.812 2.287 9.890 1.00 1.00 C ATOM 0 H LEU A 149 9.692 5.296 11.826 1.00 1.00 H new ATOM 0 HA LEU A 149 6.924 5.814 11.697 1.00 1.00 H new ATOM 0 HB2 LEU A 149 8.662 3.380 12.135 1.00 1.00 H new ATOM 0 HB3 LEU A 149 6.931 3.239 12.370 1.00 1.00 H new ATOM 0 HG LEU A 149 6.473 3.969 10.090 1.00 1.00 H new ATOM 0 HD11 LEU A 149 8.279 4.623 8.541 1.00 1.00 H new ATOM 0 HD12 LEU A 149 8.203 5.719 9.942 1.00 1.00 H new ATOM 0 HD13 LEU A 149 9.467 4.469 9.857 1.00 1.00 H new ATOM 0 HD21 LEU A 149 7.674 2.206 8.812 1.00 1.00 H new ATOM 0 HD22 LEU A 149 8.843 2.040 10.144 1.00 1.00 H new ATOM 0 HD23 LEU A 149 7.138 1.594 10.394 1.00 1.00 H new ATOM 2325 N SER A 150 8.143 5.178 14.699 1.00 1.00 N ATOM 2326 CA SER A 150 7.816 5.243 16.116 1.00 1.00 C ATOM 2327 C SER A 150 6.966 6.481 16.398 1.00 1.00 C ATOM 2328 O SER A 150 6.091 6.462 17.262 1.00 1.00 O ATOM 2329 CB SER A 150 9.099 5.305 16.943 1.00 1.00 C ATOM 2330 OG SER A 150 9.910 4.179 16.634 1.00 1.00 O ATOM 0 H SER A 150 9.124 4.988 14.493 1.00 1.00 H new ATOM 0 HA SER A 150 7.253 4.351 16.390 1.00 1.00 H new ATOM 0 HB2 SER A 150 9.639 6.227 16.729 1.00 1.00 H new ATOM 0 HB3 SER A 150 8.860 5.315 18.006 1.00 1.00 H new ATOM 0 HG SER A 150 10.735 4.216 17.161 1.00 1.00 H new ATOM 2336 N ARG A 151 7.228 7.553 15.654 1.00 1.00 N ATOM 2337 CA ARG A 151 6.480 8.798 15.819 1.00 1.00 C ATOM 2338 C ARG A 151 5.129 8.681 15.143 1.00 1.00 C ATOM 2339 O ARG A 151 4.456 9.678 14.880 1.00 1.00 O ATOM 2340 CB ARG A 151 7.265 9.945 15.194 1.00 1.00 C ATOM 2341 CG ARG A 151 8.628 10.049 15.869 1.00 1.00 C ATOM 2342 CD ARG A 151 9.456 11.102 15.142 1.00 1.00 C ATOM 2343 NE ARG A 151 8.873 12.426 15.333 1.00 1.00 N ATOM 2344 CZ ARG A 151 9.367 13.496 14.716 1.00 1.00 C ATOM 2345 NH1 ARG A 151 10.397 13.378 13.919 1.00 1.00 N ATOM 2346 NH2 ARG A 151 8.822 14.665 14.905 1.00 1.00 N ATOM 0 H ARG A 151 7.949 7.586 14.934 1.00 1.00 H new ATOM 0 HA ARG A 151 6.332 8.991 16.881 1.00 1.00 H new ATOM 0 HB2 ARG A 151 7.388 9.776 14.124 1.00 1.00 H new ATOM 0 HB3 ARG A 151 6.717 10.881 15.308 1.00 1.00 H new ATOM 0 HG2 ARG A 151 8.510 10.320 16.918 1.00 1.00 H new ATOM 0 HG3 ARG A 151 9.136 9.085 15.844 1.00 1.00 H new ATOM 0 HD2 ARG A 151 10.480 11.091 15.516 1.00 1.00 H new ATOM 0 HD3 ARG A 151 9.502 10.868 14.079 1.00 1.00 H new ATOM 0 HE ARG A 151 8.070 12.533 15.953 1.00 1.00 H new ATOM 0 HH11 ARG A 151 10.824 12.464 13.769 1.00 1.00 H new ATOM 0 HH12 ARG A 151 10.774 14.200 13.447 1.00 1.00 H new ATOM 0 HH21 ARG A 151 8.018 14.758 15.525 1.00 1.00 H new ATOM 0 HH22 ARG A 151 9.200 15.486 14.433 1.00 1.00 H new ATOM 2360 N HIS A 152 4.749 7.443 14.869 1.00 1.00 N ATOM 2361 CA HIS A 152 3.486 7.142 14.225 1.00 1.00 C ATOM 2362 C HIS A 152 2.932 5.840 14.778 1.00 1.00 C ATOM 2363 O HIS A 152 3.676 4.980 15.250 1.00 1.00 O ATOM 2364 CB HIS A 152 3.681 7.019 12.710 1.00 1.00 C ATOM 2365 CG HIS A 152 4.155 8.338 12.159 1.00 1.00 C ATOM 2366 ND1 HIS A 152 3.318 9.437 12.062 1.00 1.00 N ATOM 2367 CD2 HIS A 152 5.372 8.748 11.670 1.00 1.00 C ATOM 2368 CE1 HIS A 152 4.033 10.447 11.534 1.00 1.00 C ATOM 2369 NE2 HIS A 152 5.291 10.081 11.276 1.00 1.00 N ATOM 0 H HIS A 152 5.310 6.620 15.088 1.00 1.00 H new ATOM 0 HA HIS A 152 2.783 7.951 14.425 1.00 1.00 H new ATOM 0 HB2 HIS A 152 4.407 6.237 12.488 1.00 1.00 H new ATOM 0 HB3 HIS A 152 2.744 6.729 12.234 1.00 1.00 H new ATOM 0 HD2 HIS A 152 6.256 8.131 11.602 1.00 1.00 H new ATOM 0 HE1 HIS A 152 3.638 11.434 11.342 1.00 1.00 H new ATOM 0 HE2 HIS A 152 6.033 10.655 10.876 1.00 1.00 H new ATOM 2377 N THR A 153 1.623 5.702 14.702 1.00 1.00 N ATOM 2378 CA THR A 153 0.936 4.505 15.178 1.00 1.00 C ATOM 2379 C THR A 153 -0.216 4.172 14.239 1.00 1.00 C ATOM 2380 O THR A 153 -0.051 4.180 13.024 1.00 1.00 O ATOM 2381 CB THR A 153 0.408 4.729 16.600 1.00 1.00 C ATOM 2382 OG1 THR A 153 1.410 5.374 17.380 1.00 1.00 O ATOM 2383 CG2 THR A 153 0.031 3.380 17.247 1.00 1.00 C ATOM 0 H THR A 153 1.002 6.411 14.311 1.00 1.00 H new ATOM 0 HA THR A 153 1.639 3.672 15.195 1.00 1.00 H new ATOM 0 HB THR A 153 -0.482 5.357 16.556 1.00 1.00 H new ATOM 0 HG1 THR A 153 1.074 5.519 18.289 1.00 1.00 H new ATOM 0 HG21 THR A 153 -0.343 3.552 18.256 1.00 1.00 H new ATOM 0 HG22 THR A 153 -0.742 2.895 16.652 1.00 1.00 H new ATOM 0 HG23 THR A 153 0.911 2.739 17.290 1.00 1.00 H new ATOM 2391 N CYS A 154 -1.384 3.890 14.805 1.00 1.00 N ATOM 2392 CA CYS A 154 -2.561 3.567 14.000 1.00 1.00 C ATOM 2393 C CYS A 154 -3.816 4.092 14.681 1.00 1.00 C ATOM 2394 O CYS A 154 -3.883 4.157 15.909 1.00 1.00 O ATOM 2395 CB CYS A 154 -2.659 2.049 13.807 1.00 1.00 C ATOM 2396 SG CYS A 154 -0.995 1.365 13.622 1.00 1.00 S ATOM 0 H CYS A 154 -1.543 3.878 15.812 1.00 1.00 H new ATOM 0 HA CYS A 154 -2.467 4.042 13.023 1.00 1.00 H new ATOM 0 HB2 CYS A 154 -3.160 1.593 14.661 1.00 1.00 H new ATOM 0 HB3 CYS A 154 -3.259 1.820 12.926 1.00 1.00 H new ATOM 0 HG CYS A 154 -1.071 0.077 13.460 1.00 1.00 H new