USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 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 70 ASN : amide:sc= -0.483 X(o=-1.5,f=-1) USER MOD Set 1.2: A 76 TYR OH : rot 15:sc= -1.03 USER MOD Set 2.1: A 53 HIS : no HD1:sc= -4.1! C(o=-8!,f=-5.7!) USER MOD Set 2.2: A 54 ASN : amide:sc= -3.91! C(o=-8!,f=-7!) USER MOD Set 3.1: A 48 GLN : amide:sc= -2.27! C(o=-4.7!,f=-4.7!) USER MOD Set 3.2: A 49 ASN : amide:sc= -2.4! C(o=-4.7!,f=-4.5!) USER MOD Set 4.1: A 27 SER OG : rot -104:sc= -0.286 USER MOD Set 4.2: A 75 ASN : amide:sc= -1.79 K(o=-2.1,f=-20!) USER MOD Set 5.1: A 8 TYR OH : rot -69:sc= 0.203! USER MOD Set 5.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -29:sc= 0.461 USER MOD Single : A 13 THR OG1 : rot 106:sc= 0.741 USER MOD Single : A 14 MET CE :methyl 157:sc= -1.12 (180deg=-2.28) USER MOD Single : A 18 GLN : amide:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 19 SER OG : rot 12:sc= -2.15! USER MOD Single : A 21 GLN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.235) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 54:sc= 0.0656 USER MOD Single : A 30 CYS SG : rot 27:sc= 0.73 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0927 K(o=-0.093,f=-1.6!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -16:sc= 0.751 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.235 USER MOD Single : A 58 ASN : amide:sc= 0.0588 K(o=0.059,f=-1) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 145:sc= -2.12 (180deg=-3.23!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.21 K(o=-1.2,f=0) USER MOD Single : A 83 SER OG : rot -160:sc= 0 USER MOD Single : A 86 MET CE :methyl 151:sc=-0.00264 (180deg=-1.41) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 0.602 0.920 6.912 1.00 0.00 N ATOM 89 CA SER A 7 0.454 2.134 6.128 1.00 0.00 C ATOM 90 C SER A 7 1.094 3.313 6.864 1.00 0.00 C ATOM 91 O SER A 7 2.311 3.485 6.829 1.00 0.00 O ATOM 92 CB SER A 7 -1.019 2.426 5.838 1.00 0.00 C ATOM 93 OG SER A 7 -1.826 2.320 7.008 1.00 0.00 O ATOM 0 HA SER A 7 0.962 1.990 5.175 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.114 3.429 5.422 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.384 1.731 5.082 1.00 0.00 H new ATOM 0 HG SER A 7 -1.427 1.670 7.623 1.00 0.00 H new ATOM 99 N TYR A 8 0.244 4.096 7.513 1.00 0.00 N ATOM 100 CA TYR A 8 0.711 5.254 8.256 1.00 0.00 C ATOM 101 C TYR A 8 1.237 4.845 9.634 1.00 0.00 C ATOM 102 O TYR A 8 2.260 5.356 10.088 1.00 0.00 O ATOM 103 CB TYR A 8 -0.509 6.159 8.437 1.00 0.00 C ATOM 104 CG TYR A 8 -1.209 6.529 7.128 1.00 0.00 C ATOM 105 CD1 TYR A 8 -0.462 6.851 6.013 1.00 0.00 C ATOM 106 CD2 TYR A 8 -2.587 6.540 7.061 1.00 0.00 C ATOM 107 CE1 TYR A 8 -1.121 7.199 4.781 1.00 0.00 C ATOM 108 CE2 TYR A 8 -3.246 6.888 5.829 1.00 0.00 C ATOM 109 CZ TYR A 8 -2.480 7.200 4.750 1.00 0.00 C ATOM 110 OH TYR A 8 -3.102 7.529 3.586 1.00 0.00 O ATOM 0 H TYR A 8 -0.765 3.951 7.539 1.00 0.00 H new ATOM 0 HA TYR A 8 1.524 5.749 7.724 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -1.224 5.661 9.091 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.198 7.074 8.942 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.617 6.842 6.065 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.172 6.287 7.933 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -0.548 7.454 3.901 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.324 6.901 5.764 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.963 8.481 3.399 1.00 0.00 H new ATOM 120 N ILE A 9 0.514 3.929 10.260 1.00 0.00 N ATOM 121 CA ILE A 9 0.895 3.446 11.577 1.00 0.00 C ATOM 122 C ILE A 9 2.410 3.241 11.622 1.00 0.00 C ATOM 123 O ILE A 9 3.034 3.421 12.666 1.00 0.00 O ATOM 124 CB ILE A 9 0.093 2.195 11.941 1.00 0.00 C ATOM 125 CG1 ILE A 9 0.322 1.080 10.918 1.00 0.00 C ATOM 126 CG2 ILE A 9 -1.391 2.524 12.109 1.00 0.00 C ATOM 127 CD1 ILE A 9 1.408 0.113 11.394 1.00 0.00 C ATOM 0 H ILE A 9 -0.334 3.508 9.880 1.00 0.00 H new ATOM 0 HA ILE A 9 0.651 4.186 12.340 1.00 0.00 H new ATOM 0 HB ILE A 9 0.451 1.828 12.903 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.608 0.536 10.754 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.611 1.514 9.961 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.938 1.617 12.367 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.513 3.260 12.904 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.782 2.930 11.176 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.551 -0.669 10.649 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.343 0.656 11.534 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.105 -0.337 12.339 1.00 0.00 H new ATOM 139 N ALA A 10 2.958 2.867 10.475 1.00 0.00 N ATOM 140 CA ALA A 10 4.389 2.635 10.370 1.00 0.00 C ATOM 141 C ALA A 10 5.111 3.978 10.252 1.00 0.00 C ATOM 142 O ALA A 10 6.003 4.279 11.044 1.00 0.00 O ATOM 143 CB ALA A 10 4.671 1.715 9.180 1.00 0.00 C ATOM 0 H ALA A 10 2.437 2.719 9.611 1.00 0.00 H new ATOM 0 HA ALA A 10 4.764 2.136 11.264 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.744 1.541 9.101 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.159 0.764 9.326 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.311 2.184 8.264 1.00 0.00 H new ATOM 149 N LEU A 11 4.700 4.750 9.257 1.00 0.00 N ATOM 150 CA LEU A 11 5.297 6.055 9.026 1.00 0.00 C ATOM 151 C LEU A 11 5.341 6.831 10.343 1.00 0.00 C ATOM 152 O LEU A 11 6.269 7.603 10.582 1.00 0.00 O ATOM 153 CB LEU A 11 4.561 6.789 7.903 1.00 0.00 C ATOM 154 CG LEU A 11 4.409 6.023 6.588 1.00 0.00 C ATOM 155 CD1 LEU A 11 3.715 6.883 5.529 1.00 0.00 C ATOM 156 CD2 LEU A 11 5.759 5.493 6.102 1.00 0.00 C ATOM 0 H LEU A 11 3.961 4.497 8.601 1.00 0.00 H new ATOM 0 HA LEU A 11 6.327 5.948 8.684 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.567 7.057 8.261 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.088 7.721 7.699 1.00 0.00 H new ATOM 0 HG LEU A 11 3.771 5.158 6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.620 6.314 4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.724 7.168 5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.306 7.780 5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.622 4.952 5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.442 6.328 5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.177 4.821 6.851 1.00 0.00 H new ATOM 168 N ILE A 12 4.327 6.601 11.164 1.00 0.00 N ATOM 169 CA ILE A 12 4.238 7.269 12.451 1.00 0.00 C ATOM 170 C ILE A 12 5.250 6.646 13.415 1.00 0.00 C ATOM 171 O ILE A 12 6.028 7.358 14.049 1.00 0.00 O ATOM 172 CB ILE A 12 2.799 7.245 12.969 1.00 0.00 C ATOM 173 CG1 ILE A 12 1.864 8.010 12.030 1.00 0.00 C ATOM 174 CG2 ILE A 12 2.724 7.769 14.404 1.00 0.00 C ATOM 175 CD1 ILE A 12 2.453 9.374 11.662 1.00 0.00 C ATOM 0 H ILE A 12 3.559 5.961 10.962 1.00 0.00 H new ATOM 0 HA ILE A 12 4.498 8.323 12.352 1.00 0.00 H new ATOM 0 HB ILE A 12 2.460 6.209 12.986 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.695 7.427 11.125 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.894 8.146 12.508 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.690 7.741 14.748 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.339 7.144 15.052 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.090 8.795 14.436 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.769 9.897 10.994 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.598 9.964 12.567 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.412 9.234 11.163 1.00 0.00 H new ATOM 187 N THR A 13 5.206 5.325 13.495 1.00 0.00 N ATOM 188 CA THR A 13 6.109 4.598 14.372 1.00 0.00 C ATOM 189 C THR A 13 7.534 5.137 14.234 1.00 0.00 C ATOM 190 O THR A 13 8.257 5.250 15.222 1.00 0.00 O ATOM 191 CB THR A 13 5.988 3.108 14.045 1.00 0.00 C ATOM 192 OG1 THR A 13 4.657 2.775 14.431 1.00 0.00 O ATOM 193 CG2 THR A 13 6.867 2.238 14.946 1.00 0.00 C ATOM 0 H THR A 13 4.560 4.739 12.967 1.00 0.00 H new ATOM 0 HA THR A 13 5.842 4.738 15.419 1.00 0.00 H new ATOM 0 HB THR A 13 6.260 2.941 13.003 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.104 2.656 13.631 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.744 1.190 14.672 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.911 2.525 14.822 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.573 2.378 15.986 1.00 0.00 H new ATOM 201 N MET A 14 7.896 5.454 12.999 1.00 0.00 N ATOM 202 CA MET A 14 9.222 5.978 12.719 1.00 0.00 C ATOM 203 C MET A 14 9.290 7.479 13.008 1.00 0.00 C ATOM 204 O MET A 14 10.282 7.966 13.549 1.00 0.00 O ATOM 205 CB MET A 14 9.572 5.724 11.251 1.00 0.00 C ATOM 206 CG MET A 14 10.771 4.782 11.129 1.00 0.00 C ATOM 207 SD MET A 14 12.250 5.718 10.783 1.00 0.00 S ATOM 208 CE MET A 14 11.948 6.158 9.080 1.00 0.00 C ATOM 0 H MET A 14 7.294 5.358 12.181 1.00 0.00 H new ATOM 0 HA MET A 14 9.937 5.470 13.365 1.00 0.00 H new ATOM 0 HB2 MET A 14 8.712 5.293 10.738 1.00 0.00 H new ATOM 0 HB3 MET A 14 9.796 6.670 10.758 1.00 0.00 H new ATOM 0 HG2 MET A 14 10.896 4.218 12.053 1.00 0.00 H new ATOM 0 HG3 MET A 14 10.595 4.057 10.334 1.00 0.00 H new ATOM 0 HE1 MET A 14 12.526 7.046 8.826 1.00 0.00 H new ATOM 0 HE2 MET A 14 12.246 5.333 8.433 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.887 6.364 8.940 1.00 0.00 H new ATOM 218 N ALA A 15 8.224 8.171 12.635 1.00 0.00 N ATOM 219 CA ALA A 15 8.151 9.606 12.847 1.00 0.00 C ATOM 220 C ALA A 15 8.397 9.912 14.326 1.00 0.00 C ATOM 221 O ALA A 15 9.050 10.900 14.659 1.00 0.00 O ATOM 222 CB ALA A 15 6.796 10.126 12.362 1.00 0.00 C ATOM 0 H ALA A 15 7.403 7.764 12.187 1.00 0.00 H new ATOM 0 HA ALA A 15 8.922 10.118 12.271 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.741 11.203 12.521 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.682 9.910 11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.998 9.636 12.919 1.00 0.00 H new ATOM 228 N ILE A 16 7.861 9.046 15.173 1.00 0.00 N ATOM 229 CA ILE A 16 8.015 9.211 16.609 1.00 0.00 C ATOM 230 C ILE A 16 9.376 8.661 17.038 1.00 0.00 C ATOM 231 O ILE A 16 10.158 9.361 17.679 1.00 0.00 O ATOM 232 CB ILE A 16 6.834 8.580 17.350 1.00 0.00 C ATOM 233 CG1 ILE A 16 5.503 9.102 16.806 1.00 0.00 C ATOM 234 CG2 ILE A 16 6.959 8.790 18.860 1.00 0.00 C ATOM 235 CD1 ILE A 16 5.452 10.630 16.856 1.00 0.00 C ATOM 0 H ILE A 16 7.320 8.228 14.893 1.00 0.00 H new ATOM 0 HA ILE A 16 8.000 10.268 16.875 1.00 0.00 H new ATOM 0 HB ILE A 16 6.854 7.505 17.172 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.368 8.763 15.779 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.680 8.688 17.389 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.107 8.332 19.363 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.881 8.330 19.216 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.978 9.858 19.079 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.495 10.975 16.464 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.563 10.964 17.888 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.261 11.041 16.252 1.00 0.00 H new ATOM 247 N LEU A 17 9.617 7.412 16.668 1.00 0.00 N ATOM 248 CA LEU A 17 10.871 6.760 17.007 1.00 0.00 C ATOM 249 C LEU A 17 12.037 7.665 16.605 1.00 0.00 C ATOM 250 O LEU A 17 12.998 7.816 17.357 1.00 0.00 O ATOM 251 CB LEU A 17 10.934 5.363 16.384 1.00 0.00 C ATOM 252 CG LEU A 17 10.301 4.236 17.202 1.00 0.00 C ATOM 253 CD1 LEU A 17 9.127 4.754 18.035 1.00 0.00 C ATOM 254 CD2 LEU A 17 9.892 3.068 16.301 1.00 0.00 C ATOM 0 H LEU A 17 8.966 6.834 16.137 1.00 0.00 H new ATOM 0 HA LEU A 17 10.942 6.608 18.084 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.444 5.398 15.411 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.980 5.113 16.206 1.00 0.00 H new ATOM 0 HG LEU A 17 11.049 3.860 17.900 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.696 3.932 18.606 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.479 5.526 18.719 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.369 5.173 17.374 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.445 2.280 16.907 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.168 3.414 15.563 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.772 2.677 15.790 1.00 0.00 H new ATOM 266 N GLN A 18 11.913 8.245 15.420 1.00 0.00 N ATOM 267 CA GLN A 18 12.945 9.131 14.909 1.00 0.00 C ATOM 268 C GLN A 18 13.242 10.239 15.922 1.00 0.00 C ATOM 269 O GLN A 18 14.330 10.813 15.919 1.00 0.00 O ATOM 270 CB GLN A 18 12.542 9.719 13.556 1.00 0.00 C ATOM 271 CG GLN A 18 11.515 10.840 13.728 1.00 0.00 C ATOM 272 CD GLN A 18 12.062 12.170 13.207 1.00 0.00 C ATOM 273 OE1 GLN A 18 11.707 12.641 12.139 1.00 0.00 O ATOM 274 NE2 GLN A 18 12.944 12.748 14.018 1.00 0.00 N ATOM 0 H GLN A 18 11.114 8.119 14.799 1.00 0.00 H new ATOM 0 HA GLN A 18 13.854 8.549 14.759 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.425 10.105 13.046 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.126 8.934 12.924 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.600 10.585 13.193 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.252 10.939 14.781 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.197 12.300 14.898 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.367 13.639 13.759 1.00 0.00 H new ATOM 283 N SER A 19 12.254 10.508 16.764 1.00 0.00 N ATOM 284 CA SER A 19 12.396 11.537 17.779 1.00 0.00 C ATOM 285 C SER A 19 12.146 10.941 19.166 1.00 0.00 C ATOM 286 O SER A 19 11.095 11.169 19.764 1.00 0.00 O ATOM 287 CB SER A 19 11.437 12.701 17.521 1.00 0.00 C ATOM 288 OG SER A 19 10.110 12.252 17.262 1.00 0.00 O ATOM 0 H SER A 19 11.352 10.031 16.763 1.00 0.00 H new ATOM 0 HA SER A 19 13.414 11.924 17.734 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.433 13.365 18.385 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.795 13.284 16.672 1.00 0.00 H new ATOM 0 HG SER A 19 10.035 11.302 17.492 1.00 0.00 H new ATOM 294 N PRO A 20 13.155 10.169 19.650 1.00 0.00 N ATOM 295 CA PRO A 20 13.055 9.538 20.956 1.00 0.00 C ATOM 296 C PRO A 20 13.255 10.562 22.076 1.00 0.00 C ATOM 297 O PRO A 20 13.064 10.248 23.249 1.00 0.00 O ATOM 298 CB PRO A 20 14.117 8.450 20.950 1.00 0.00 C ATOM 299 CG PRO A 20 15.078 8.812 19.829 1.00 0.00 C ATOM 300 CD PRO A 20 14.414 9.876 18.971 1.00 0.00 C ATOM 0 HA PRO A 20 12.069 9.113 21.143 1.00 0.00 H new ATOM 0 HB2 PRO A 20 14.634 8.404 21.908 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.671 7.470 20.781 1.00 0.00 H new ATOM 0 HG2 PRO A 20 16.018 9.183 20.237 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.315 7.932 19.231 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.038 10.767 18.892 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.242 9.516 17.957 1.00 0.00 H new ATOM 308 N GLN A 21 13.636 11.765 21.673 1.00 0.00 N ATOM 309 CA GLN A 21 13.863 12.837 22.628 1.00 0.00 C ATOM 310 C GLN A 21 12.536 13.300 23.232 1.00 0.00 C ATOM 311 O GLN A 21 12.057 12.720 24.206 1.00 0.00 O ATOM 312 CB GLN A 21 14.606 14.004 21.975 1.00 0.00 C ATOM 313 CG GLN A 21 16.112 13.907 22.228 1.00 0.00 C ATOM 314 CD GLN A 21 16.565 14.953 23.249 1.00 0.00 C ATOM 315 OE1 GLN A 21 16.200 14.921 24.413 1.00 0.00 O ATOM 316 NE2 GLN A 21 17.379 15.879 22.750 1.00 0.00 N ATOM 0 H GLN A 21 13.793 12.021 20.698 1.00 0.00 H new ATOM 0 HA GLN A 21 14.491 12.454 23.432 1.00 0.00 H new ATOM 0 HB2 GLN A 21 14.414 14.007 20.902 1.00 0.00 H new ATOM 0 HB3 GLN A 21 14.228 14.947 22.370 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.360 12.909 22.590 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.652 14.050 21.292 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.645 15.847 21.766 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.737 16.621 23.351 1.00 0.00 H new ATOM 325 N LYS A 22 11.979 14.340 22.629 1.00 0.00 N ATOM 326 CA LYS A 22 10.717 14.887 23.095 1.00 0.00 C ATOM 327 C LYS A 22 10.338 16.092 22.231 1.00 0.00 C ATOM 328 O LYS A 22 10.341 17.226 22.705 1.00 0.00 O ATOM 329 CB LYS A 22 10.789 15.202 24.590 1.00 0.00 C ATOM 330 CG LYS A 22 9.395 15.186 25.222 1.00 0.00 C ATOM 331 CD LYS A 22 9.307 16.182 26.380 1.00 0.00 C ATOM 332 CE LYS A 22 7.849 16.456 26.757 1.00 0.00 C ATOM 333 NZ LYS A 22 7.400 15.514 27.807 1.00 0.00 N ATOM 0 H LYS A 22 12.379 14.818 21.822 1.00 0.00 H new ATOM 0 HA LYS A 22 9.920 14.152 22.985 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.427 14.472 25.089 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.248 16.180 24.738 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.647 15.432 24.468 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.166 14.183 25.582 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.842 15.789 27.244 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.796 17.115 26.100 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.745 17.482 27.111 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.215 16.358 25.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.361 15.473 27.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.783 14.567 27.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.741 15.839 28.734 1.00 0.00 H new ATOM 347 N LYS A 23 10.021 15.804 20.977 1.00 0.00 N ATOM 348 CA LYS A 23 9.641 16.849 20.042 1.00 0.00 C ATOM 349 C LYS A 23 9.247 16.214 18.707 1.00 0.00 C ATOM 350 O LYS A 23 9.840 15.221 18.288 1.00 0.00 O ATOM 351 CB LYS A 23 10.754 17.892 19.923 1.00 0.00 C ATOM 352 CG LYS A 23 11.981 17.307 19.220 1.00 0.00 C ATOM 353 CD LYS A 23 13.255 18.042 19.640 1.00 0.00 C ATOM 354 CE LYS A 23 14.448 17.085 19.690 1.00 0.00 C ATOM 355 NZ LYS A 23 15.691 17.785 19.295 1.00 0.00 N ATOM 0 H LYS A 23 10.020 14.862 20.587 1.00 0.00 H new ATOM 0 HA LYS A 23 8.768 17.389 20.408 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.390 18.756 19.367 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.033 18.246 20.915 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.072 16.248 19.460 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.855 17.379 18.140 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.461 18.850 18.938 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.110 18.499 20.619 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.555 16.681 20.697 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.272 16.240 19.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.491 17.121 19.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.591 18.150 18.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.866 18.577 19.947 1.00 0.00 H new ATOM 369 N LEU A 24 8.249 16.814 18.074 1.00 0.00 N ATOM 370 CA LEU A 24 7.769 16.320 16.795 1.00 0.00 C ATOM 371 C LEU A 24 7.403 17.505 15.900 1.00 0.00 C ATOM 372 O LEU A 24 7.164 18.608 16.391 1.00 0.00 O ATOM 373 CB LEU A 24 6.622 15.327 17.000 1.00 0.00 C ATOM 374 CG LEU A 24 7.027 13.862 17.175 1.00 0.00 C ATOM 375 CD1 LEU A 24 7.997 13.426 16.075 1.00 0.00 C ATOM 376 CD2 LEU A 24 7.596 13.613 18.573 1.00 0.00 C ATOM 0 H LEU A 24 7.760 17.638 18.424 1.00 0.00 H new ATOM 0 HA LEU A 24 8.554 15.764 16.283 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.055 15.634 17.879 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.949 15.398 16.145 1.00 0.00 H new ATOM 0 HG LEU A 24 6.132 13.247 17.078 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.269 12.381 16.223 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.520 13.543 15.102 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.894 14.044 16.115 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.876 12.564 18.670 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.476 14.239 18.725 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.843 13.859 19.321 1.00 0.00 H new ATOM 388 N THR A 25 7.372 17.239 14.603 1.00 0.00 N ATOM 389 CA THR A 25 7.040 18.270 13.634 1.00 0.00 C ATOM 390 C THR A 25 6.238 17.675 12.475 1.00 0.00 C ATOM 391 O THR A 25 6.813 17.150 11.523 1.00 0.00 O ATOM 392 CB THR A 25 8.342 18.940 13.192 1.00 0.00 C ATOM 393 OG1 THR A 25 9.255 17.857 13.039 1.00 0.00 O ATOM 394 CG2 THR A 25 8.963 19.799 14.295 1.00 0.00 C ATOM 0 H THR A 25 7.571 16.324 14.200 1.00 0.00 H new ATOM 0 HA THR A 25 6.398 19.033 14.073 1.00 0.00 H new ATOM 0 HB THR A 25 8.152 19.559 12.315 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.867 17.184 12.441 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.885 20.251 13.929 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.263 20.584 14.583 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.184 19.175 15.161 1.00 0.00 H new ATOM 402 N LEU A 26 4.922 17.776 12.594 1.00 0.00 N ATOM 403 CA LEU A 26 4.036 17.255 11.568 1.00 0.00 C ATOM 404 C LEU A 26 4.565 17.657 10.190 1.00 0.00 C ATOM 405 O LEU A 26 4.659 16.824 9.289 1.00 0.00 O ATOM 406 CB LEU A 26 2.595 17.700 11.827 1.00 0.00 C ATOM 407 CG LEU A 26 1.553 17.221 10.815 1.00 0.00 C ATOM 408 CD1 LEU A 26 1.679 17.985 9.495 1.00 0.00 C ATOM 409 CD2 LEU A 26 1.640 15.707 10.612 1.00 0.00 C ATOM 0 H LEU A 26 4.448 18.211 13.386 1.00 0.00 H new ATOM 0 HA LEU A 26 4.019 16.166 11.598 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.300 17.350 12.816 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.572 18.789 11.855 1.00 0.00 H new ATOM 0 HG LEU A 26 0.563 17.435 11.218 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.927 17.625 8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.528 19.049 9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.672 17.825 9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.888 15.393 9.888 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.632 15.446 10.242 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.462 15.202 11.561 1.00 0.00 H new ATOM 421 N SER A 27 4.897 18.934 10.068 1.00 0.00 N ATOM 422 CA SER A 27 5.415 19.457 8.815 1.00 0.00 C ATOM 423 C SER A 27 6.719 18.745 8.450 1.00 0.00 C ATOM 424 O SER A 27 6.833 18.165 7.371 1.00 0.00 O ATOM 425 CB SER A 27 5.640 20.967 8.900 1.00 0.00 C ATOM 426 OG SER A 27 6.613 21.307 9.884 1.00 0.00 O ATOM 0 H SER A 27 4.817 19.622 10.817 1.00 0.00 H new ATOM 0 HA SER A 27 4.677 19.271 8.035 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.961 21.341 7.928 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.698 21.461 9.136 1.00 0.00 H new ATOM 0 HG SER A 27 6.164 21.666 10.678 1.00 0.00 H new ATOM 432 N GLY A 28 7.670 18.812 9.370 1.00 0.00 N ATOM 433 CA GLY A 28 8.962 18.181 9.158 1.00 0.00 C ATOM 434 C GLY A 28 8.805 16.678 8.922 1.00 0.00 C ATOM 435 O GLY A 28 9.417 16.122 8.011 1.00 0.00 O ATOM 0 H GLY A 28 7.572 19.293 10.264 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.458 18.638 8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.601 18.352 10.024 1.00 0.00 H new ATOM 439 N ILE A 29 7.983 16.062 9.760 1.00 0.00 N ATOM 440 CA ILE A 29 7.739 14.634 9.654 1.00 0.00 C ATOM 441 C ILE A 29 7.206 14.314 8.256 1.00 0.00 C ATOM 442 O ILE A 29 7.621 13.334 7.639 1.00 0.00 O ATOM 443 CB ILE A 29 6.822 14.162 10.784 1.00 0.00 C ATOM 444 CG1 ILE A 29 7.613 13.400 11.850 1.00 0.00 C ATOM 445 CG2 ILE A 29 5.657 13.336 10.236 1.00 0.00 C ATOM 446 CD1 ILE A 29 8.688 14.291 12.477 1.00 0.00 C ATOM 0 H ILE A 29 7.478 16.526 10.515 1.00 0.00 H new ATOM 0 HA ILE A 29 8.669 14.079 9.776 1.00 0.00 H new ATOM 0 HB ILE A 29 6.395 15.041 11.267 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.935 13.042 12.625 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.079 12.521 11.404 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.021 13.013 11.060 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.074 13.944 9.544 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.045 12.462 9.713 1.00 0.00 H new ATOM 0 HD11 ILE A 29 9.235 13.725 13.231 1.00 0.00 H new ATOM 0 HD12 ILE A 29 9.379 14.627 11.704 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.217 15.156 12.944 1.00 0.00 H new ATOM 458 N CYS A 30 6.295 15.159 7.797 1.00 0.00 N ATOM 459 CA CYS A 30 5.701 14.979 6.483 1.00 0.00 C ATOM 460 C CYS A 30 6.826 14.958 5.446 1.00 0.00 C ATOM 461 O CYS A 30 6.855 14.090 4.575 1.00 0.00 O ATOM 462 CB CYS A 30 4.664 16.062 6.178 1.00 0.00 C ATOM 463 SG CYS A 30 4.134 15.946 4.430 1.00 0.00 S ATOM 0 H CYS A 30 5.953 15.971 8.312 1.00 0.00 H new ATOM 0 HA CYS A 30 5.161 14.032 6.452 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.803 15.948 6.836 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.087 17.047 6.374 1.00 0.00 H new ATOM 0 HG CYS A 30 4.277 14.723 4.013 1.00 0.00 H new ATOM 469 N GLU A 31 7.725 15.923 5.575 1.00 0.00 N ATOM 470 CA GLU A 31 8.848 16.025 4.660 1.00 0.00 C ATOM 471 C GLU A 31 9.774 14.817 4.818 1.00 0.00 C ATOM 472 O GLU A 31 10.399 14.379 3.853 1.00 0.00 O ATOM 473 CB GLU A 31 9.613 17.333 4.875 1.00 0.00 C ATOM 474 CG GLU A 31 10.438 17.695 3.639 1.00 0.00 C ATOM 475 CD GLU A 31 9.794 18.850 2.869 1.00 0.00 C ATOM 476 OE1 GLU A 31 8.898 18.555 2.049 1.00 0.00 O ATOM 477 OE2 GLU A 31 10.212 20.001 3.117 1.00 0.00 O ATOM 0 H GLU A 31 7.698 16.641 6.299 1.00 0.00 H new ATOM 0 HA GLU A 31 8.461 16.031 3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.911 18.137 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.270 17.236 5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.448 17.972 3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.527 16.825 2.989 1.00 0.00 H new ATOM 484 N PHE A 32 9.832 14.312 6.042 1.00 0.00 N ATOM 485 CA PHE A 32 10.670 13.163 6.338 1.00 0.00 C ATOM 486 C PHE A 32 10.114 11.896 5.686 1.00 0.00 C ATOM 487 O PHE A 32 10.869 10.987 5.343 1.00 0.00 O ATOM 488 CB PHE A 32 10.664 12.985 7.858 1.00 0.00 C ATOM 489 CG PHE A 32 10.259 11.583 8.319 1.00 0.00 C ATOM 490 CD1 PHE A 32 11.036 10.513 8.002 1.00 0.00 C ATOM 491 CD2 PHE A 32 9.123 11.408 9.045 1.00 0.00 C ATOM 492 CE1 PHE A 32 10.661 9.212 8.430 1.00 0.00 C ATOM 493 CE2 PHE A 32 8.748 10.107 9.473 1.00 0.00 C ATOM 494 CZ PHE A 32 9.525 9.036 9.156 1.00 0.00 C ATOM 0 H PHE A 32 9.312 14.678 6.840 1.00 0.00 H new ATOM 0 HA PHE A 32 11.676 13.327 5.951 1.00 0.00 H new ATOM 0 HB2 PHE A 32 11.658 13.210 8.244 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.980 13.712 8.296 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.938 10.653 7.425 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.506 12.258 9.296 1.00 0.00 H new ATOM 0 HE1 PHE A 32 11.278 8.362 8.179 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.846 9.968 10.050 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.239 8.046 9.481 1.00 0.00 H new ATOM 504 N ILE A 33 8.798 11.875 5.534 1.00 0.00 N ATOM 505 CA ILE A 33 8.132 10.735 4.929 1.00 0.00 C ATOM 506 C ILE A 33 8.313 10.790 3.411 1.00 0.00 C ATOM 507 O ILE A 33 8.798 9.836 2.805 1.00 0.00 O ATOM 508 CB ILE A 33 6.669 10.671 5.372 1.00 0.00 C ATOM 509 CG1 ILE A 33 6.530 9.932 6.704 1.00 0.00 C ATOM 510 CG2 ILE A 33 5.791 10.055 4.280 1.00 0.00 C ATOM 511 CD1 ILE A 33 5.339 10.462 7.505 1.00 0.00 C ATOM 0 H ILE A 33 8.175 12.630 5.820 1.00 0.00 H new ATOM 0 HA ILE A 33 8.585 9.804 5.271 1.00 0.00 H new ATOM 0 HB ILE A 33 6.317 11.690 5.532 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.403 8.865 6.520 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.444 10.049 7.286 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.756 10.021 4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.856 10.661 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.135 9.043 4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.264 9.919 8.447 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.481 11.523 7.708 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.423 10.322 6.931 1.00 0.00 H new ATOM 523 N SER A 34 7.912 11.916 2.840 1.00 0.00 N ATOM 524 CA SER A 34 8.024 12.109 1.404 1.00 0.00 C ATOM 525 C SER A 34 9.446 11.784 0.942 1.00 0.00 C ATOM 526 O SER A 34 9.639 11.208 -0.127 1.00 0.00 O ATOM 527 CB SER A 34 7.651 13.539 1.009 1.00 0.00 C ATOM 528 OG SER A 34 8.230 13.917 -0.237 1.00 0.00 O ATOM 0 H SER A 34 7.509 12.705 3.346 1.00 0.00 H new ATOM 0 HA SER A 34 7.325 11.432 0.913 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.566 13.626 0.946 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.982 14.228 1.786 1.00 0.00 H new ATOM 0 HG SER A 34 7.967 14.836 -0.455 1.00 0.00 H new ATOM 534 N ASN A 35 10.406 12.168 1.771 1.00 0.00 N ATOM 535 CA ASN A 35 11.804 11.925 1.460 1.00 0.00 C ATOM 536 C ASN A 35 12.077 10.420 1.498 1.00 0.00 C ATOM 537 O ASN A 35 12.661 9.868 0.567 1.00 0.00 O ATOM 538 CB ASN A 35 12.721 12.597 2.485 1.00 0.00 C ATOM 539 CG ASN A 35 14.038 13.032 1.840 1.00 0.00 C ATOM 540 OD1 ASN A 35 14.333 12.720 0.698 1.00 0.00 O ATOM 541 ND2 ASN A 35 14.811 13.769 2.634 1.00 0.00 N ATOM 0 H ASN A 35 10.243 12.646 2.657 1.00 0.00 H new ATOM 0 HA ASN A 35 12.005 12.336 0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.219 13.464 2.915 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.924 11.907 3.304 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.711 14.109 2.296 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.503 13.994 3.580 1.00 0.00 H new ATOM 548 N ARG A 36 11.640 9.799 2.584 1.00 0.00 N ATOM 549 CA ARG A 36 11.829 8.369 2.754 1.00 0.00 C ATOM 550 C ARG A 36 11.045 7.599 1.690 1.00 0.00 C ATOM 551 O ARG A 36 11.614 6.791 0.958 1.00 0.00 O ATOM 552 CB ARG A 36 11.372 7.915 4.142 1.00 0.00 C ATOM 553 CG ARG A 36 12.386 8.323 5.214 1.00 0.00 C ATOM 554 CD ARG A 36 13.770 7.748 4.906 1.00 0.00 C ATOM 555 NE ARG A 36 14.513 7.519 6.165 1.00 0.00 N ATOM 556 CZ ARG A 36 15.765 7.044 6.222 1.00 0.00 C ATOM 557 NH1 ARG A 36 16.421 6.746 5.093 1.00 0.00 N ATOM 558 NH2 ARG A 36 16.361 6.867 7.410 1.00 0.00 N ATOM 0 H ARG A 36 11.156 10.260 3.354 1.00 0.00 H new ATOM 0 HA ARG A 36 12.894 8.160 2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.400 8.353 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 36 11.244 6.833 4.151 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.444 9.410 5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.051 7.971 6.190 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.670 6.812 4.357 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.324 8.435 4.266 1.00 0.00 H new ATOM 0 HE ARG A 36 14.043 7.736 7.044 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.968 6.881 4.189 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.374 6.385 5.137 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.862 7.094 8.270 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.314 6.506 7.454 1.00 0.00 H new ATOM 572 N PHE A 37 9.750 7.876 1.638 1.00 0.00 N ATOM 573 CA PHE A 37 8.882 7.219 0.675 1.00 0.00 C ATOM 574 C PHE A 37 8.320 8.225 -0.332 1.00 0.00 C ATOM 575 O PHE A 37 7.275 8.828 -0.095 1.00 0.00 O ATOM 576 CB PHE A 37 7.724 6.604 1.464 1.00 0.00 C ATOM 577 CG PHE A 37 8.073 6.258 2.913 1.00 0.00 C ATOM 578 CD1 PHE A 37 7.945 7.199 3.886 1.00 0.00 C ATOM 579 CD2 PHE A 37 8.509 5.009 3.228 1.00 0.00 C ATOM 580 CE1 PHE A 37 8.269 6.878 5.231 1.00 0.00 C ATOM 581 CE2 PHE A 37 8.833 4.688 4.573 1.00 0.00 C ATOM 582 CZ PHE A 37 8.705 5.629 5.546 1.00 0.00 C ATOM 0 H PHE A 37 9.281 8.546 2.247 1.00 0.00 H new ATOM 0 HA PHE A 37 9.443 6.466 0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.885 7.300 1.459 1.00 0.00 H new ATOM 0 HB3 PHE A 37 7.391 5.699 0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 37 7.597 8.190 3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.609 4.261 2.455 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.169 7.626 6.004 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.181 3.697 4.823 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.950 5.385 6.569 1.00 0.00 H new ATOM 592 N PRO A 38 9.059 8.378 -1.463 1.00 0.00 N ATOM 593 CA PRO A 38 8.645 9.300 -2.507 1.00 0.00 C ATOM 594 C PRO A 38 7.472 8.732 -3.308 1.00 0.00 C ATOM 595 O PRO A 38 6.459 9.404 -3.494 1.00 0.00 O ATOM 596 CB PRO A 38 9.889 9.522 -3.352 1.00 0.00 C ATOM 597 CG PRO A 38 10.822 8.365 -3.031 1.00 0.00 C ATOM 598 CD PRO A 38 10.302 7.681 -1.778 1.00 0.00 C ATOM 0 HA PRO A 38 8.275 10.245 -2.110 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.642 9.542 -4.413 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.356 10.478 -3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.858 7.662 -3.863 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.838 8.726 -2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.128 6.619 -1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.017 7.758 -0.959 1.00 0.00 H new ATOM 606 N TYR A 39 7.649 7.499 -3.761 1.00 0.00 N ATOM 607 CA TYR A 39 6.618 6.832 -4.538 1.00 0.00 C ATOM 608 C TYR A 39 5.272 6.870 -3.810 1.00 0.00 C ATOM 609 O TYR A 39 4.227 7.035 -4.437 1.00 0.00 O ATOM 610 CB TYR A 39 7.068 5.377 -4.676 1.00 0.00 C ATOM 611 CG TYR A 39 6.995 4.577 -3.374 1.00 0.00 C ATOM 612 CD1 TYR A 39 5.777 4.118 -2.914 1.00 0.00 C ATOM 613 CD2 TYR A 39 8.146 4.314 -2.659 1.00 0.00 C ATOM 614 CE1 TYR A 39 5.708 3.364 -1.688 1.00 0.00 C ATOM 615 CE2 TYR A 39 8.077 3.560 -1.434 1.00 0.00 C ATOM 616 CZ TYR A 39 6.861 3.123 -1.009 1.00 0.00 C ATOM 617 OH TYR A 39 6.795 2.412 0.148 1.00 0.00 O ATOM 0 H TYR A 39 8.491 6.945 -3.605 1.00 0.00 H new ATOM 0 HA TYR A 39 6.488 7.322 -5.503 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.450 4.886 -5.427 1.00 0.00 H new ATOM 0 HB3 TYR A 39 8.093 5.358 -5.045 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.876 4.324 -3.473 1.00 0.00 H new ATOM 0 HD2 TYR A 39 9.099 4.674 -3.018 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.762 2.999 -1.317 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.970 3.346 -0.866 1.00 0.00 H new ATOM 0 HH TYR A 39 7.695 2.316 0.524 1.00 0.00 H new ATOM 627 N TYR A 40 5.342 6.715 -2.496 1.00 0.00 N ATOM 628 CA TYR A 40 4.143 6.729 -1.676 1.00 0.00 C ATOM 629 C TYR A 40 3.391 8.053 -1.827 1.00 0.00 C ATOM 630 O TYR A 40 2.161 8.076 -1.836 1.00 0.00 O ATOM 631 CB TYR A 40 4.619 6.589 -0.229 1.00 0.00 C ATOM 632 CG TYR A 40 3.536 6.108 0.739 1.00 0.00 C ATOM 633 CD1 TYR A 40 2.569 6.987 1.183 1.00 0.00 C ATOM 634 CD2 TYR A 40 3.527 4.797 1.169 1.00 0.00 C ATOM 635 CE1 TYR A 40 1.550 6.534 2.094 1.00 0.00 C ATOM 636 CE2 TYR A 40 2.508 4.345 2.080 1.00 0.00 C ATOM 637 CZ TYR A 40 1.570 5.236 2.498 1.00 0.00 C ATOM 638 OH TYR A 40 0.607 4.808 3.358 1.00 0.00 O ATOM 0 H TYR A 40 6.211 6.579 -1.979 1.00 0.00 H new ATOM 0 HA TYR A 40 3.466 5.928 -1.973 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.455 5.891 -0.198 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.996 7.553 0.113 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.577 8.014 0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.285 4.110 0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.787 7.211 2.449 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.489 3.321 2.424 1.00 0.00 H new ATOM 0 HH TYR A 40 0.162 5.582 3.762 1.00 0.00 H new ATOM 648 N ARG A 41 4.162 9.125 -1.941 1.00 0.00 N ATOM 649 CA ARG A 41 3.585 10.450 -2.091 1.00 0.00 C ATOM 650 C ARG A 41 3.149 10.678 -3.540 1.00 0.00 C ATOM 651 O ARG A 41 2.168 11.376 -3.794 1.00 0.00 O ATOM 652 CB ARG A 41 4.585 11.535 -1.690 1.00 0.00 C ATOM 653 CG ARG A 41 4.069 12.924 -2.070 1.00 0.00 C ATOM 654 CD ARG A 41 4.999 13.597 -3.081 1.00 0.00 C ATOM 655 NE ARG A 41 5.237 15.005 -2.691 1.00 0.00 N ATOM 656 CZ ARG A 41 4.419 16.020 -3.003 1.00 0.00 C ATOM 657 NH1 ARG A 41 3.305 15.789 -3.711 1.00 0.00 N ATOM 658 NH2 ARG A 41 4.715 17.265 -2.607 1.00 0.00 N ATOM 0 H ARG A 41 5.182 9.103 -1.932 1.00 0.00 H new ATOM 0 HA ARG A 41 2.718 10.510 -1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.763 11.491 -0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.541 11.352 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.067 12.841 -2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.989 13.543 -1.176 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.946 13.060 -3.130 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.557 13.557 -4.077 1.00 0.00 H new ATOM 0 HE ARG A 41 6.076 15.216 -2.151 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.080 14.841 -4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.682 16.561 -3.949 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.563 17.441 -2.068 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.092 18.037 -2.845 1.00 0.00 H new ATOM 672 N GLU A 42 3.898 10.076 -4.451 1.00 0.00 N ATOM 673 CA GLU A 42 3.601 10.204 -5.868 1.00 0.00 C ATOM 674 C GLU A 42 2.439 9.287 -6.252 1.00 0.00 C ATOM 675 O GLU A 42 1.905 9.385 -7.356 1.00 0.00 O ATOM 676 CB GLU A 42 4.839 9.906 -6.717 1.00 0.00 C ATOM 677 CG GLU A 42 5.194 11.099 -7.607 1.00 0.00 C ATOM 678 CD GLU A 42 5.953 10.645 -8.855 1.00 0.00 C ATOM 679 OE1 GLU A 42 6.867 9.808 -8.691 1.00 0.00 O ATOM 680 OE2 GLU A 42 5.602 11.145 -9.946 1.00 0.00 O ATOM 0 H GLU A 42 4.710 9.498 -4.236 1.00 0.00 H new ATOM 0 HA GLU A 42 3.305 11.234 -6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.681 9.669 -6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.657 9.027 -7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.284 11.622 -7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.802 11.808 -7.045 1.00 0.00 H new ATOM 687 N LYS A 43 2.081 8.416 -5.320 1.00 0.00 N ATOM 688 CA LYS A 43 0.991 7.482 -5.547 1.00 0.00 C ATOM 689 C LYS A 43 -0.203 7.876 -4.674 1.00 0.00 C ATOM 690 O LYS A 43 -1.235 7.207 -4.691 1.00 0.00 O ATOM 691 CB LYS A 43 1.464 6.044 -5.329 1.00 0.00 C ATOM 692 CG LYS A 43 2.275 5.546 -6.527 1.00 0.00 C ATOM 693 CD LYS A 43 2.257 4.018 -6.605 1.00 0.00 C ATOM 694 CE LYS A 43 2.974 3.524 -7.863 1.00 0.00 C ATOM 695 NZ LYS A 43 3.544 2.177 -7.640 1.00 0.00 N ATOM 0 H LYS A 43 2.527 8.337 -4.406 1.00 0.00 H new ATOM 0 HA LYS A 43 0.658 7.530 -6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.072 5.990 -4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.603 5.394 -5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.867 5.965 -7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.304 5.897 -6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.737 3.600 -5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.227 3.663 -6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.275 3.496 -8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.767 4.221 -8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.027 1.857 -8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.226 2.214 -6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.780 1.512 -7.404 1.00 0.00 H new ATOM 709 N PHE A 44 -0.022 8.959 -3.933 1.00 0.00 N ATOM 710 CA PHE A 44 -1.071 9.450 -3.056 1.00 0.00 C ATOM 711 C PHE A 44 -0.648 10.749 -2.368 1.00 0.00 C ATOM 712 O PHE A 44 -0.427 10.772 -1.158 1.00 0.00 O ATOM 713 CB PHE A 44 -1.303 8.375 -1.992 1.00 0.00 C ATOM 714 CG PHE A 44 -1.892 8.911 -0.685 1.00 0.00 C ATOM 715 CD1 PHE A 44 -2.944 9.773 -0.717 1.00 0.00 C ATOM 716 CD2 PHE A 44 -1.365 8.524 0.507 1.00 0.00 C ATOM 717 CE1 PHE A 44 -3.491 10.269 0.496 1.00 0.00 C ATOM 718 CE2 PHE A 44 -1.913 9.021 1.720 1.00 0.00 C ATOM 719 CZ PHE A 44 -2.964 9.883 1.688 1.00 0.00 C ATOM 0 H PHE A 44 0.836 9.511 -3.922 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.973 9.654 -3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.973 7.616 -2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.356 7.881 -1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.363 10.080 -1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.530 7.839 0.532 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.326 10.953 0.471 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.495 8.714 2.667 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.380 10.261 2.610 1.00 0.00 H new ATOM 729 N PRO A 45 -0.544 11.828 -3.191 1.00 0.00 N ATOM 730 CA PRO A 45 -0.151 13.128 -2.674 1.00 0.00 C ATOM 731 C PRO A 45 -1.300 13.782 -1.904 1.00 0.00 C ATOM 732 O PRO A 45 -2.005 14.635 -2.440 1.00 0.00 O ATOM 733 CB PRO A 45 0.274 13.924 -3.897 1.00 0.00 C ATOM 734 CG PRO A 45 -0.332 13.208 -5.093 1.00 0.00 C ATOM 735 CD PRO A 45 -0.798 11.838 -4.628 1.00 0.00 C ATOM 0 HA PRO A 45 0.664 13.066 -1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -0.082 14.952 -3.836 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.360 13.967 -3.977 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.168 13.779 -5.497 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.403 13.111 -5.892 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.855 11.685 -4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.251 11.041 -5.132 1.00 0.00 H new ATOM 743 N ALA A 46 -1.453 13.356 -0.658 1.00 0.00 N ATOM 744 CA ALA A 46 -2.504 13.890 0.191 1.00 0.00 C ATOM 745 C ALA A 46 -2.574 13.073 1.482 1.00 0.00 C ATOM 746 O ALA A 46 -3.607 12.479 1.790 1.00 0.00 O ATOM 747 CB ALA A 46 -3.829 13.887 -0.574 1.00 0.00 C ATOM 0 H ALA A 46 -0.867 12.648 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.289 14.923 0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.618 14.288 0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.735 14.505 -1.467 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.080 12.866 -0.863 1.00 0.00 H new ATOM 753 N TRP A 47 -1.463 13.068 2.204 1.00 0.00 N ATOM 754 CA TRP A 47 -1.386 12.334 3.455 1.00 0.00 C ATOM 755 C TRP A 47 -1.301 13.350 4.595 1.00 0.00 C ATOM 756 O TRP A 47 -0.548 13.157 5.549 1.00 0.00 O ATOM 757 CB TRP A 47 -0.214 11.351 3.442 1.00 0.00 C ATOM 758 CG TRP A 47 0.885 11.706 2.439 1.00 0.00 C ATOM 759 CD1 TRP A 47 0.839 11.627 1.102 1.00 0.00 C ATOM 760 CD2 TRP A 47 2.205 12.202 2.748 1.00 0.00 C ATOM 761 NE1 TRP A 47 2.027 12.034 0.529 1.00 0.00 N ATOM 762 CE2 TRP A 47 2.884 12.396 1.563 1.00 0.00 C ATOM 763 CE3 TRP A 47 2.804 12.479 3.990 1.00 0.00 C ATOM 764 CZ2 TRP A 47 4.198 12.873 1.501 1.00 0.00 C ATOM 765 CZ3 TRP A 47 4.118 12.956 3.911 1.00 0.00 C ATOM 766 CH2 TRP A 47 4.816 13.156 2.725 1.00 0.00 C ATOM 0 H TRP A 47 -0.608 13.561 1.946 1.00 0.00 H new ATOM 0 HA TRP A 47 -2.277 11.723 3.599 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.220 11.306 4.441 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -0.592 10.354 3.214 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -0.020 11.287 0.543 1.00 0.00 H new ATOM 0 HE1 TRP A 47 2.238 12.064 -0.469 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.291 12.335 4.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 4.708 13.015 0.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.625 13.185 4.837 1.00 0.00 H new ATOM 0 HH2 TRP A 47 5.830 13.528 2.748 1.00 0.00 H new ATOM 777 N GLN A 48 -2.084 14.410 4.460 1.00 0.00 N ATOM 778 CA GLN A 48 -2.107 15.457 5.468 1.00 0.00 C ATOM 779 C GLN A 48 -2.960 15.026 6.662 1.00 0.00 C ATOM 780 O GLN A 48 -2.462 14.927 7.782 1.00 0.00 O ATOM 781 CB GLN A 48 -2.615 16.774 4.878 1.00 0.00 C ATOM 782 CG GLN A 48 -2.733 17.850 5.960 1.00 0.00 C ATOM 783 CD GLN A 48 -3.871 18.823 5.645 1.00 0.00 C ATOM 784 OE1 GLN A 48 -4.961 18.438 5.253 1.00 0.00 O ATOM 785 NE2 GLN A 48 -3.559 20.101 5.836 1.00 0.00 N ATOM 0 H GLN A 48 -2.707 14.567 3.668 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.087 15.622 5.816 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.935 17.112 4.096 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.586 16.616 4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.909 17.380 6.927 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.793 18.397 6.038 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.628 20.355 6.166 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.251 20.828 5.653 1.00 0.00 H new ATOM 794 N ASN A 49 -4.232 14.780 6.382 1.00 0.00 N ATOM 795 CA ASN A 49 -5.159 14.361 7.420 1.00 0.00 C ATOM 796 C ASN A 49 -4.943 12.877 7.723 1.00 0.00 C ATOM 797 O ASN A 49 -5.039 12.454 8.874 1.00 0.00 O ATOM 798 CB ASN A 49 -6.610 14.546 6.970 1.00 0.00 C ATOM 799 CG ASN A 49 -6.729 15.689 5.960 1.00 0.00 C ATOM 800 OD1 ASN A 49 -6.322 16.813 6.205 1.00 0.00 O ATOM 801 ND2 ASN A 49 -7.309 15.341 4.815 1.00 0.00 N ATOM 0 H ASN A 49 -4.642 14.863 5.452 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.975 14.972 8.303 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.977 13.622 6.524 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.239 14.754 7.835 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.436 16.033 4.077 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.627 14.382 4.675 1.00 0.00 H new ATOM 808 N SER A 50 -4.655 12.127 6.669 1.00 0.00 N ATOM 809 CA SER A 50 -4.425 10.699 6.807 1.00 0.00 C ATOM 810 C SER A 50 -3.344 10.443 7.860 1.00 0.00 C ATOM 811 O SER A 50 -3.556 9.676 8.798 1.00 0.00 O ATOM 812 CB SER A 50 -4.022 10.074 5.470 1.00 0.00 C ATOM 813 OG SER A 50 -5.153 9.789 4.652 1.00 0.00 O ATOM 0 H SER A 50 -4.576 12.482 5.716 1.00 0.00 H new ATOM 0 HA SER A 50 -5.356 10.232 7.129 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.353 10.752 4.940 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.466 9.155 5.653 1.00 0.00 H new ATOM 0 HG SER A 50 -4.854 9.392 3.807 1.00 0.00 H new ATOM 819 N ILE A 51 -2.210 11.101 7.669 1.00 0.00 N ATOM 820 CA ILE A 51 -1.096 10.954 8.591 1.00 0.00 C ATOM 821 C ILE A 51 -1.463 11.588 9.934 1.00 0.00 C ATOM 822 O ILE A 51 -1.267 10.981 10.985 1.00 0.00 O ATOM 823 CB ILE A 51 0.187 11.517 7.975 1.00 0.00 C ATOM 824 CG1 ILE A 51 0.759 10.558 6.929 1.00 0.00 C ATOM 825 CG2 ILE A 51 1.210 11.860 9.059 1.00 0.00 C ATOM 826 CD1 ILE A 51 1.397 9.337 7.594 1.00 0.00 C ATOM 0 H ILE A 51 -2.038 11.737 6.890 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.895 9.900 8.781 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.059 12.445 7.460 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.034 10.236 6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.502 11.076 6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.112 12.258 8.595 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.789 12.606 9.733 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.458 10.961 9.623 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.795 8.672 6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.205 9.661 8.250 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.645 8.807 8.179 1.00 0.00 H new ATOM 838 N ARG A 52 -1.990 12.802 9.854 1.00 0.00 N ATOM 839 CA ARG A 52 -2.386 13.525 11.050 1.00 0.00 C ATOM 840 C ARG A 52 -3.373 12.692 11.871 1.00 0.00 C ATOM 841 O ARG A 52 -3.482 12.870 13.084 1.00 0.00 O ATOM 842 CB ARG A 52 -3.033 14.865 10.695 1.00 0.00 C ATOM 843 CG ARG A 52 -1.970 15.922 10.386 1.00 0.00 C ATOM 844 CD ARG A 52 -2.617 17.258 10.017 1.00 0.00 C ATOM 845 NE ARG A 52 -1.771 17.977 9.038 1.00 0.00 N ATOM 846 CZ ARG A 52 -1.783 19.306 8.867 1.00 0.00 C ATOM 847 NH1 ARG A 52 -2.597 20.069 9.608 1.00 0.00 N ATOM 848 NH2 ARG A 52 -0.981 19.871 7.954 1.00 0.00 N ATOM 0 H ARG A 52 -2.152 13.302 8.980 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.487 13.713 11.637 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.688 14.740 9.833 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.657 15.202 11.523 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.321 16.055 11.252 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.340 15.580 9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.608 17.088 9.597 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.750 17.867 10.912 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.139 17.426 8.457 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.208 19.638 10.302 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.606 21.081 9.478 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.362 19.289 7.390 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.990 20.883 7.824 1.00 0.00 H new ATOM 862 N HIS A 53 -4.066 11.801 11.178 1.00 0.00 N ATOM 863 CA HIS A 53 -5.040 10.941 11.828 1.00 0.00 C ATOM 864 C HIS A 53 -4.318 9.795 12.540 1.00 0.00 C ATOM 865 O HIS A 53 -4.522 9.575 13.733 1.00 0.00 O ATOM 866 CB HIS A 53 -6.086 10.450 10.825 1.00 0.00 C ATOM 867 CG HIS A 53 -7.013 9.391 11.373 1.00 0.00 C ATOM 868 ND1 HIS A 53 -8.224 9.691 11.971 1.00 0.00 N ATOM 869 CD2 HIS A 53 -6.893 8.033 11.406 1.00 0.00 C ATOM 870 CE1 HIS A 53 -8.799 8.557 12.344 1.00 0.00 C ATOM 871 NE2 HIS A 53 -7.972 7.531 11.993 1.00 0.00 N ATOM 0 H HIS A 53 -3.972 11.656 10.173 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.584 11.508 12.584 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.680 11.300 10.490 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.575 10.053 9.948 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.061 7.463 11.020 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.754 8.462 12.839 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.153 6.540 12.155 1.00 0.00 H new ATOM 879 N ASN A 54 -3.491 9.095 11.778 1.00 0.00 N ATOM 880 CA ASN A 54 -2.738 7.978 12.321 1.00 0.00 C ATOM 881 C ASN A 54 -1.647 8.508 13.254 1.00 0.00 C ATOM 882 O ASN A 54 -1.046 7.745 14.009 1.00 0.00 O ATOM 883 CB ASN A 54 -2.059 7.178 11.207 1.00 0.00 C ATOM 884 CG ASN A 54 -3.026 6.166 10.591 1.00 0.00 C ATOM 885 OD1 ASN A 54 -2.804 4.966 10.608 1.00 0.00 O ATOM 886 ND2 ASN A 54 -4.109 6.714 10.048 1.00 0.00 N ATOM 0 H ASN A 54 -3.326 9.280 10.789 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.433 7.332 12.857 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.698 7.857 10.435 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.189 6.658 11.607 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.816 6.122 9.611 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.233 7.726 10.068 1.00 0.00 H new ATOM 893 N LEU A 55 -1.426 9.812 13.172 1.00 0.00 N ATOM 894 CA LEU A 55 -0.418 10.453 14.000 1.00 0.00 C ATOM 895 C LEU A 55 -1.009 10.743 15.381 1.00 0.00 C ATOM 896 O LEU A 55 -0.469 10.305 16.396 1.00 0.00 O ATOM 897 CB LEU A 55 0.143 11.692 13.299 1.00 0.00 C ATOM 898 CG LEU A 55 1.363 12.339 13.955 1.00 0.00 C ATOM 899 CD1 LEU A 55 1.961 11.423 15.025 1.00 0.00 C ATOM 900 CD2 LEU A 55 2.399 12.748 12.906 1.00 0.00 C ATOM 0 H LEU A 55 -1.927 10.442 12.545 1.00 0.00 H new ATOM 0 HA LEU A 55 0.432 9.787 14.149 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.407 11.419 12.277 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.649 12.438 13.235 1.00 0.00 H new ATOM 0 HG LEU A 55 1.037 13.250 14.457 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.827 11.907 15.476 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.214 11.226 15.794 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.268 10.482 14.568 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.256 13.205 13.400 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.726 11.866 12.355 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.954 13.464 12.215 1.00 0.00 H new ATOM 912 N SER A 56 -2.110 11.480 15.376 1.00 0.00 N ATOM 913 CA SER A 56 -2.780 11.834 16.616 1.00 0.00 C ATOM 914 C SER A 56 -3.639 10.663 17.099 1.00 0.00 C ATOM 915 O SER A 56 -3.567 10.275 18.264 1.00 0.00 O ATOM 916 CB SER A 56 -3.640 13.086 16.439 1.00 0.00 C ATOM 917 OG SER A 56 -5.024 12.770 16.312 1.00 0.00 O ATOM 0 H SER A 56 -2.555 11.842 14.533 1.00 0.00 H new ATOM 0 HA SER A 56 -2.020 12.052 17.366 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.496 13.748 17.293 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.310 13.630 15.554 1.00 0.00 H new ATOM 0 HG SER A 56 -5.539 13.596 16.203 1.00 0.00 H new ATOM 923 N LEU A 57 -4.432 10.134 16.179 1.00 0.00 N ATOM 924 CA LEU A 57 -5.304 9.016 16.497 1.00 0.00 C ATOM 925 C LEU A 57 -4.484 7.725 16.517 1.00 0.00 C ATOM 926 O LEU A 57 -4.586 6.906 15.605 1.00 0.00 O ATOM 927 CB LEU A 57 -6.494 8.974 15.535 1.00 0.00 C ATOM 928 CG LEU A 57 -7.878 9.101 16.175 1.00 0.00 C ATOM 929 CD1 LEU A 57 -8.428 10.520 16.015 1.00 0.00 C ATOM 930 CD2 LEU A 57 -8.838 8.048 15.617 1.00 0.00 C ATOM 0 H LEU A 57 -4.489 10.459 15.214 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.732 9.138 17.492 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.377 9.777 14.808 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.456 8.035 14.982 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.779 8.913 17.244 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.413 10.583 16.479 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.754 11.228 16.497 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.510 10.761 14.955 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.815 8.160 16.088 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.937 8.181 14.540 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.447 7.052 15.825 1.00 0.00 H new ATOM 942 N ASN A 58 -3.689 7.583 17.567 1.00 0.00 N ATOM 943 CA ASN A 58 -2.852 6.405 17.718 1.00 0.00 C ATOM 944 C ASN A 58 -1.722 6.711 18.703 1.00 0.00 C ATOM 945 O ASN A 58 -1.380 5.876 19.540 1.00 0.00 O ATOM 946 CB ASN A 58 -2.220 6.003 16.384 1.00 0.00 C ATOM 947 CG ASN A 58 -2.715 4.626 15.936 1.00 0.00 C ATOM 948 OD1 ASN A 58 -1.945 3.734 15.622 1.00 0.00 O ATOM 949 ND2 ASN A 58 -4.039 4.505 15.923 1.00 0.00 N ATOM 0 H ASN A 58 -3.607 8.264 18.322 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.479 5.590 18.080 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.463 6.746 15.624 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.134 5.989 16.481 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.468 3.625 15.638 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.626 5.293 16.198 1.00 0.00 H new ATOM 956 N ASP A 59 -1.173 7.909 18.571 1.00 0.00 N ATOM 957 CA ASP A 59 -0.088 8.336 19.439 1.00 0.00 C ATOM 958 C ASP A 59 -0.655 8.716 20.808 1.00 0.00 C ATOM 959 O ASP A 59 -0.103 8.338 21.840 1.00 0.00 O ATOM 960 CB ASP A 59 0.626 9.561 18.866 1.00 0.00 C ATOM 961 CG ASP A 59 1.583 9.270 17.708 1.00 0.00 C ATOM 962 OD1 ASP A 59 1.172 8.502 16.812 1.00 0.00 O ATOM 963 OD2 ASP A 59 2.705 9.821 17.746 1.00 0.00 O ATOM 0 H ASP A 59 -1.459 8.598 17.876 1.00 0.00 H new ATOM 0 HA ASP A 59 0.621 7.512 19.523 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.125 10.274 18.526 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.185 10.044 19.667 1.00 0.00 H new ATOM 968 N CYS A 60 -1.752 9.459 20.773 1.00 0.00 N ATOM 969 CA CYS A 60 -2.400 9.895 21.998 1.00 0.00 C ATOM 970 C CYS A 60 -1.494 10.921 22.682 1.00 0.00 C ATOM 971 O CYS A 60 -1.142 10.763 23.849 1.00 0.00 O ATOM 972 CB CYS A 60 -2.722 8.716 22.917 1.00 0.00 C ATOM 973 SG CYS A 60 -3.884 7.572 22.085 1.00 0.00 S ATOM 0 H CYS A 60 -2.208 9.770 19.915 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.358 10.359 21.761 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.805 8.188 23.180 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.159 9.078 23.847 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.149 6.573 22.874 1.00 0.00 H new ATOM 979 N PHE A 61 -1.144 11.951 21.925 1.00 0.00 N ATOM 980 CA PHE A 61 -0.286 13.003 22.444 1.00 0.00 C ATOM 981 C PHE A 61 -0.918 14.380 22.232 1.00 0.00 C ATOM 982 O PHE A 61 -2.140 14.505 22.178 1.00 0.00 O ATOM 983 CB PHE A 61 1.029 12.933 21.665 1.00 0.00 C ATOM 984 CG PHE A 61 0.855 12.977 20.145 1.00 0.00 C ATOM 985 CD1 PHE A 61 -0.297 13.459 19.606 1.00 0.00 C ATOM 986 CD2 PHE A 61 1.853 12.536 19.333 1.00 0.00 C ATOM 987 CE1 PHE A 61 -0.459 13.500 18.196 1.00 0.00 C ATOM 988 CE2 PHE A 61 1.692 12.577 17.923 1.00 0.00 C ATOM 989 CZ PHE A 61 0.539 13.059 17.384 1.00 0.00 C ATOM 0 H PHE A 61 -1.439 12.079 20.957 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.133 12.864 23.514 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.666 13.763 21.972 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.551 12.015 21.934 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.089 13.811 20.251 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.768 12.154 19.761 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.375 13.881 17.768 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.484 12.226 17.278 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.417 13.091 16.311 1.00 0.00 H new ATOM 999 N VAL A 62 -0.056 15.380 22.117 1.00 0.00 N ATOM 1000 CA VAL A 62 -0.515 16.743 21.912 1.00 0.00 C ATOM 1001 C VAL A 62 0.253 17.365 20.744 1.00 0.00 C ATOM 1002 O VAL A 62 1.289 16.845 20.330 1.00 0.00 O ATOM 1003 CB VAL A 62 -0.378 17.542 23.210 1.00 0.00 C ATOM 1004 CG1 VAL A 62 -1.178 16.892 24.341 1.00 0.00 C ATOM 1005 CG2 VAL A 62 1.092 17.705 23.601 1.00 0.00 C ATOM 0 H VAL A 62 0.957 15.273 22.162 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.573 16.754 21.649 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.790 18.536 23.037 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.064 17.480 25.252 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.232 16.852 24.065 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.809 15.881 24.513 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.161 18.276 24.527 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.541 16.722 23.747 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.623 18.232 22.809 1.00 0.00 H new ATOM 1015 N LYS A 63 -0.283 18.469 20.245 1.00 0.00 N ATOM 1016 CA LYS A 63 0.339 19.167 19.133 1.00 0.00 C ATOM 1017 C LYS A 63 0.213 20.676 19.349 1.00 0.00 C ATOM 1018 O LYS A 63 -0.486 21.121 20.258 1.00 0.00 O ATOM 1019 CB LYS A 63 -0.246 18.685 17.803 1.00 0.00 C ATOM 1020 CG LYS A 63 -1.704 19.127 17.654 1.00 0.00 C ATOM 1021 CD LYS A 63 -2.661 17.977 17.974 1.00 0.00 C ATOM 1022 CE LYS A 63 -3.245 17.377 16.694 1.00 0.00 C ATOM 1023 NZ LYS A 63 -3.003 15.917 16.648 1.00 0.00 N ATOM 0 H LYS A 63 -1.142 18.898 20.591 1.00 0.00 H new ATOM 0 HA LYS A 63 1.404 18.939 19.088 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.344 19.081 16.977 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.184 17.598 17.747 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.903 19.967 18.320 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.879 19.478 16.637 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.133 17.205 18.534 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.468 18.338 18.612 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.316 17.576 16.648 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.795 17.854 15.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.811 15.445 16.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.139 15.725 16.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.889 15.553 17.616 1.00 0.00 H new ATOM 1037 N ILE A 64 0.901 21.423 18.498 1.00 0.00 N ATOM 1038 CA ILE A 64 0.876 22.873 18.584 1.00 0.00 C ATOM 1039 C ILE A 64 0.317 23.448 17.281 1.00 0.00 C ATOM 1040 O ILE A 64 0.856 23.193 16.205 1.00 0.00 O ATOM 1041 CB ILE A 64 2.260 23.413 18.951 1.00 0.00 C ATOM 1042 CG1 ILE A 64 2.150 24.751 19.684 1.00 0.00 C ATOM 1043 CG2 ILE A 64 3.156 23.508 17.714 1.00 0.00 C ATOM 1044 CD1 ILE A 64 3.072 24.784 20.905 1.00 0.00 C ATOM 0 H ILE A 64 1.480 21.051 17.745 1.00 0.00 H new ATOM 0 HA ILE A 64 0.211 23.195 19.386 1.00 0.00 H new ATOM 0 HB ILE A 64 2.731 22.709 19.637 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.409 25.564 19.006 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.119 24.914 19.998 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.134 23.894 18.002 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.273 22.518 17.272 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.701 24.179 16.986 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.975 25.746 21.408 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.794 23.985 21.592 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.105 24.645 20.585 1.00 0.00 H new ATOM 1056 N PRO A 65 -0.785 24.232 17.424 1.00 0.00 N ATOM 1057 CA PRO A 65 -1.423 24.844 16.271 1.00 0.00 C ATOM 1058 C PRO A 65 -0.604 26.030 15.757 1.00 0.00 C ATOM 1059 O PRO A 65 0.529 26.240 16.188 1.00 0.00 O ATOM 1060 CB PRO A 65 -2.808 25.244 16.754 1.00 0.00 C ATOM 1061 CG PRO A 65 -2.730 25.264 18.272 1.00 0.00 C ATOM 1062 CD PRO A 65 -1.451 24.555 18.683 1.00 0.00 C ATOM 0 HA PRO A 65 -1.493 24.167 15.420 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.090 26.222 16.364 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.561 24.535 16.411 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.733 26.290 18.641 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.598 24.767 18.705 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.827 25.194 19.308 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.665 23.655 19.260 1.00 0.00 H new ATOM 1070 N ARG A 66 -1.208 26.774 14.843 1.00 0.00 N ATOM 1071 CA ARG A 66 -0.549 27.933 14.265 1.00 0.00 C ATOM 1072 C ARG A 66 -0.230 28.960 15.354 1.00 0.00 C ATOM 1073 O ARG A 66 -0.881 30.000 15.441 1.00 0.00 O ATOM 1074 CB ARG A 66 -1.425 28.589 13.196 1.00 0.00 C ATOM 1075 CG ARG A 66 -0.670 29.712 12.483 1.00 0.00 C ATOM 1076 CD ARG A 66 -0.870 29.632 10.968 1.00 0.00 C ATOM 1077 NE ARG A 66 -1.650 30.798 10.498 1.00 0.00 N ATOM 1078 CZ ARG A 66 -1.111 31.980 10.171 1.00 0.00 C ATOM 1079 NH1 ARG A 66 0.214 32.160 10.262 1.00 0.00 N ATOM 1080 NH2 ARG A 66 -1.896 32.983 9.754 1.00 0.00 N ATOM 0 H ARG A 66 -2.148 26.597 14.488 1.00 0.00 H new ATOM 0 HA ARG A 66 0.376 27.591 13.801 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.741 27.840 12.470 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.329 28.988 13.656 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.018 30.678 12.849 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.393 29.646 12.717 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.097 29.605 10.466 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.389 28.709 10.710 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.662 30.695 10.418 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.812 31.397 10.580 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.625 33.060 10.013 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.905 32.847 9.685 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.485 33.883 9.505 1.00 0.00 H new ATOM 1094 N GLU A 67 0.770 28.631 16.158 1.00 0.00 N ATOM 1095 CA GLU A 67 1.183 29.512 17.237 1.00 0.00 C ATOM 1096 C GLU A 67 2.098 30.615 16.702 1.00 0.00 C ATOM 1097 O GLU A 67 1.792 31.799 16.834 1.00 0.00 O ATOM 1098 CB GLU A 67 1.870 28.724 18.355 1.00 0.00 C ATOM 1099 CG GLU A 67 1.032 28.745 19.635 1.00 0.00 C ATOM 1100 CD GLU A 67 1.922 28.893 20.871 1.00 0.00 C ATOM 1101 OE1 GLU A 67 2.876 28.094 20.981 1.00 0.00 O ATOM 1102 OE2 GLU A 67 1.627 29.802 21.677 1.00 0.00 O ATOM 0 H GLU A 67 1.306 27.767 16.084 1.00 0.00 H new ATOM 0 HA GLU A 67 0.293 29.979 17.659 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.027 27.694 18.035 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.854 29.149 18.553 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.320 29.569 19.594 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.451 27.826 19.709 1.00 0.00 H new ATOM 1109 N PRO A 68 3.233 30.176 16.094 1.00 0.00 N ATOM 1110 CA PRO A 68 4.194 31.113 15.538 1.00 0.00 C ATOM 1111 C PRO A 68 3.682 31.711 14.227 1.00 0.00 C ATOM 1112 O PRO A 68 3.702 32.928 14.045 1.00 0.00 O ATOM 1113 CB PRO A 68 5.472 30.308 15.364 1.00 0.00 C ATOM 1114 CG PRO A 68 5.052 28.847 15.390 1.00 0.00 C ATOM 1115 CD PRO A 68 3.629 28.781 15.920 1.00 0.00 C ATOM 0 HA PRO A 68 4.365 31.973 16.185 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.965 30.556 14.424 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.182 30.525 16.163 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.108 28.416 14.390 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.723 28.268 16.025 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.970 28.266 15.221 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.582 28.236 16.863 1.00 0.00 H new ATOM 1123 N GLY A 69 3.234 30.829 13.346 1.00 0.00 N ATOM 1124 CA GLY A 69 2.717 31.255 12.056 1.00 0.00 C ATOM 1125 C GLY A 69 3.856 31.548 11.078 1.00 0.00 C ATOM 1126 O GLY A 69 3.912 32.627 10.491 1.00 0.00 O ATOM 0 H GLY A 69 3.218 29.821 13.500 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.071 30.479 11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.103 32.147 12.183 1.00 0.00 H new ATOM 1130 N ASN A 70 4.736 30.568 10.934 1.00 0.00 N ATOM 1131 CA ASN A 70 5.871 30.707 10.037 1.00 0.00 C ATOM 1132 C ASN A 70 5.380 30.653 8.589 1.00 0.00 C ATOM 1133 O ASN A 70 4.323 30.091 8.308 1.00 0.00 O ATOM 1134 CB ASN A 70 6.874 29.570 10.239 1.00 0.00 C ATOM 1135 CG ASN A 70 7.463 29.602 11.650 1.00 0.00 C ATOM 1136 OD1 ASN A 70 8.484 30.217 11.912 1.00 0.00 O ATOM 1137 ND2 ASN A 70 6.764 28.907 12.544 1.00 0.00 N ATOM 0 H ASN A 70 4.686 29.674 11.423 1.00 0.00 H new ATOM 0 HA ASN A 70 6.357 31.659 10.252 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.382 28.612 10.068 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.675 29.653 9.505 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.075 28.867 13.515 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.918 28.415 12.259 1.00 0.00 H new ATOM 1144 N PRO A 71 6.193 31.262 7.684 1.00 0.00 N ATOM 1145 CA PRO A 71 5.852 31.289 6.272 1.00 0.00 C ATOM 1146 C PRO A 71 6.094 29.924 5.623 1.00 0.00 C ATOM 1147 O PRO A 71 7.131 29.705 4.998 1.00 0.00 O ATOM 1148 CB PRO A 71 6.717 32.390 5.680 1.00 0.00 C ATOM 1149 CG PRO A 71 7.839 32.622 6.679 1.00 0.00 C ATOM 1150 CD PRO A 71 7.452 31.938 7.980 1.00 0.00 C ATOM 0 HA PRO A 71 4.796 31.493 6.098 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.114 32.095 4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.138 33.300 5.525 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.778 32.218 6.300 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.993 33.689 6.840 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.217 31.229 8.297 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.333 32.661 8.787 1.00 0.00 H new ATOM 1158 N GLY A 72 5.121 29.042 5.795 1.00 0.00 N ATOM 1159 CA GLY A 72 5.215 27.705 5.234 1.00 0.00 C ATOM 1160 C GLY A 72 4.448 26.696 6.091 1.00 0.00 C ATOM 1161 O GLY A 72 3.220 26.732 6.149 1.00 0.00 O ATOM 0 H GLY A 72 4.263 29.227 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.816 27.703 4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.262 27.408 5.165 1.00 0.00 H new ATOM 1165 N LYS A 73 5.205 25.819 6.735 1.00 0.00 N ATOM 1166 CA LYS A 73 4.612 24.802 7.586 1.00 0.00 C ATOM 1167 C LYS A 73 5.501 24.587 8.812 1.00 0.00 C ATOM 1168 O LYS A 73 5.975 23.478 9.054 1.00 0.00 O ATOM 1169 CB LYS A 73 4.347 23.524 6.788 1.00 0.00 C ATOM 1170 CG LYS A 73 3.052 22.850 7.247 1.00 0.00 C ATOM 1171 CD LYS A 73 2.747 21.613 6.399 1.00 0.00 C ATOM 1172 CE LYS A 73 1.458 21.803 5.597 1.00 0.00 C ATOM 1173 NZ LYS A 73 1.402 20.844 4.471 1.00 0.00 N ATOM 0 H LYS A 73 6.223 25.792 6.684 1.00 0.00 H new ATOM 0 HA LYS A 73 3.639 25.131 7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.281 23.761 5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.183 22.835 6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.138 22.564 8.295 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.225 23.557 7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.577 21.420 5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.653 20.739 7.044 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.594 21.661 6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.406 22.823 5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.521 20.987 3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.216 20.998 3.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.429 19.872 4.841 1.00 0.00 H new ATOM 1187 N GLY A 74 5.702 25.667 9.554 1.00 0.00 N ATOM 1188 CA GLY A 74 6.526 25.611 10.750 1.00 0.00 C ATOM 1189 C GLY A 74 5.679 25.300 11.985 1.00 0.00 C ATOM 1190 O GLY A 74 5.223 26.210 12.675 1.00 0.00 O ATOM 0 H GLY A 74 5.308 26.586 9.350 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.295 24.848 10.631 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.040 26.563 10.887 1.00 0.00 H new ATOM 1194 N ASN A 75 5.494 24.010 12.227 1.00 0.00 N ATOM 1195 CA ASN A 75 4.710 23.568 13.368 1.00 0.00 C ATOM 1196 C ASN A 75 5.525 22.560 14.181 1.00 0.00 C ATOM 1197 O ASN A 75 6.591 22.125 13.749 1.00 0.00 O ATOM 1198 CB ASN A 75 3.421 22.879 12.916 1.00 0.00 C ATOM 1199 CG ASN A 75 3.708 21.830 11.839 1.00 0.00 C ATOM 1200 OD1 ASN A 75 4.830 21.651 11.394 1.00 0.00 O ATOM 1201 ND2 ASN A 75 2.635 21.151 11.446 1.00 0.00 N ATOM 0 H ASN A 75 5.873 23.257 11.653 1.00 0.00 H new ATOM 0 HA ASN A 75 4.460 24.444 13.966 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.939 22.405 13.771 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.724 23.622 12.528 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.722 20.430 10.730 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.725 21.351 11.860 1.00 0.00 H new ATOM 1208 N TYR A 76 4.992 22.219 15.345 1.00 0.00 N ATOM 1209 CA TYR A 76 5.656 21.271 16.223 1.00 0.00 C ATOM 1210 C TYR A 76 4.638 20.475 17.043 1.00 0.00 C ATOM 1211 O TYR A 76 3.632 21.024 17.491 1.00 0.00 O ATOM 1212 CB TYR A 76 6.516 22.107 17.173 1.00 0.00 C ATOM 1213 CG TYR A 76 6.810 23.520 16.666 1.00 0.00 C ATOM 1214 CD1 TYR A 76 7.651 23.705 15.587 1.00 0.00 C ATOM 1215 CD2 TYR A 76 6.234 24.610 17.286 1.00 0.00 C ATOM 1216 CE1 TYR A 76 7.928 25.035 15.110 1.00 0.00 C ATOM 1217 CE2 TYR A 76 6.511 25.940 16.809 1.00 0.00 C ATOM 1218 CZ TYR A 76 7.344 26.086 15.744 1.00 0.00 C ATOM 1219 OH TYR A 76 7.606 27.342 15.293 1.00 0.00 O ATOM 0 H TYR A 76 4.108 22.582 15.700 1.00 0.00 H new ATOM 0 HA TYR A 76 6.244 20.559 15.644 1.00 0.00 H new ATOM 0 HB2 TYR A 76 6.012 22.176 18.137 1.00 0.00 H new ATOM 0 HB3 TYR A 76 7.460 21.589 17.343 1.00 0.00 H new ATOM 0 HD1 TYR A 76 8.101 22.852 15.101 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.575 24.465 18.129 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.585 25.194 14.268 1.00 0.00 H new ATOM 0 HE2 TYR A 76 6.068 26.802 17.286 1.00 0.00 H new ATOM 0 HH TYR A 76 8.012 27.292 14.403 1.00 0.00 H new ATOM 1229 N TRP A 77 4.934 19.195 17.214 1.00 0.00 N ATOM 1230 CA TRP A 77 4.057 18.319 17.971 1.00 0.00 C ATOM 1231 C TRP A 77 4.845 17.778 19.165 1.00 0.00 C ATOM 1232 O TRP A 77 6.063 17.620 19.089 1.00 0.00 O ATOM 1233 CB TRP A 77 3.484 17.214 17.082 1.00 0.00 C ATOM 1234 CG TRP A 77 2.499 17.714 16.024 1.00 0.00 C ATOM 1235 CD1 TRP A 77 2.465 18.915 15.430 1.00 0.00 C ATOM 1236 CD2 TRP A 77 1.399 16.973 15.455 1.00 0.00 C ATOM 1237 NE1 TRP A 77 1.427 19.001 14.524 1.00 0.00 N ATOM 1238 CE2 TRP A 77 0.759 17.783 14.540 1.00 0.00 C ATOM 1239 CE3 TRP A 77 0.959 15.661 15.706 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 -0.358 17.373 13.801 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 -0.158 15.266 14.960 1.00 0.00 C ATOM 1242 CH2 TRP A 77 -0.814 16.070 14.035 1.00 0.00 C ATOM 0 H TRP A 77 5.769 18.744 16.841 1.00 0.00 H new ATOM 0 HA TRP A 77 3.193 18.868 18.345 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.306 16.700 16.584 1.00 0.00 H new ATOM 0 HB3 TRP A 77 2.983 16.479 17.712 1.00 0.00 H new ATOM 0 HD1 TRP A 77 3.162 19.715 15.634 1.00 0.00 H new ATOM 0 HE1 TRP A 77 1.193 19.810 13.949 1.00 0.00 H new ATOM 0 HE3 TRP A 77 1.444 15.010 16.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.841 18.026 13.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -0.537 14.266 15.114 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -1.672 15.691 13.499 1.00 0.00 H new ATOM 1253 N THR A 78 4.119 17.508 20.240 1.00 0.00 N ATOM 1254 CA THR A 78 4.736 16.988 21.449 1.00 0.00 C ATOM 1255 C THR A 78 4.158 15.614 21.793 1.00 0.00 C ATOM 1256 O THR A 78 2.942 15.453 21.887 1.00 0.00 O ATOM 1257 CB THR A 78 4.547 18.022 22.560 1.00 0.00 C ATOM 1258 OG1 THR A 78 5.383 19.108 22.169 1.00 0.00 O ATOM 1259 CG2 THR A 78 5.134 17.561 23.895 1.00 0.00 C ATOM 0 H THR A 78 3.109 17.640 20.299 1.00 0.00 H new ATOM 0 HA THR A 78 5.806 16.831 21.311 1.00 0.00 H new ATOM 0 HB THR A 78 3.485 18.231 22.684 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.320 19.825 22.834 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.973 18.332 24.649 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.645 16.639 24.208 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.203 17.384 23.780 1.00 0.00 H new ATOM 1267 N LEU A 79 5.057 14.657 21.971 1.00 0.00 N ATOM 1268 CA LEU A 79 4.652 13.301 22.303 1.00 0.00 C ATOM 1269 C LEU A 79 5.204 12.931 23.681 1.00 0.00 C ATOM 1270 O LEU A 79 6.259 13.421 24.083 1.00 0.00 O ATOM 1271 CB LEU A 79 5.065 12.332 21.194 1.00 0.00 C ATOM 1272 CG LEU A 79 4.685 10.865 21.410 1.00 0.00 C ATOM 1273 CD1 LEU A 79 4.214 10.224 20.103 1.00 0.00 C ATOM 1274 CD2 LEU A 79 5.838 10.088 22.047 1.00 0.00 C ATOM 0 H LEU A 79 6.065 14.794 21.892 1.00 0.00 H new ATOM 0 HA LEU A 79 3.566 13.232 22.366 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.617 12.669 20.259 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.146 12.392 21.070 1.00 0.00 H new ATOM 0 HG LEU A 79 3.848 10.827 22.108 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.950 9.182 20.283 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.342 10.760 19.729 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.014 10.273 19.365 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.542 9.049 22.190 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.710 10.130 21.394 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.086 10.530 23.012 1.00 0.00 H new ATOM 1286 N ASP A 80 4.467 12.071 24.367 1.00 0.00 N ATOM 1287 CA ASP A 80 4.870 11.629 25.692 1.00 0.00 C ATOM 1288 C ASP A 80 6.057 10.672 25.567 1.00 0.00 C ATOM 1289 O ASP A 80 6.139 9.901 24.612 1.00 0.00 O ATOM 1290 CB ASP A 80 3.733 10.883 26.394 1.00 0.00 C ATOM 1291 CG ASP A 80 3.902 10.722 27.906 1.00 0.00 C ATOM 1292 OD1 ASP A 80 3.690 11.732 28.611 1.00 0.00 O ATOM 1293 OD2 ASP A 80 4.239 9.593 28.322 1.00 0.00 O ATOM 0 H ASP A 80 3.593 11.668 24.031 1.00 0.00 H new ATOM 0 HA ASP A 80 5.136 12.511 26.275 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.799 11.411 26.202 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.637 9.894 25.947 1.00 0.00 H new ATOM 1298 N PRO A 81 6.971 10.755 26.571 1.00 0.00 N ATOM 1299 CA PRO A 81 8.149 9.906 26.582 1.00 0.00 C ATOM 1300 C PRO A 81 7.789 8.474 26.982 1.00 0.00 C ATOM 1301 O PRO A 81 7.931 8.095 28.143 1.00 0.00 O ATOM 1302 CB PRO A 81 9.105 10.572 27.558 1.00 0.00 C ATOM 1303 CG PRO A 81 8.254 11.506 28.403 1.00 0.00 C ATOM 1304 CD PRO A 81 6.906 11.657 27.717 1.00 0.00 C ATOM 0 HA PRO A 81 8.608 9.811 25.598 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.607 9.831 28.180 1.00 0.00 H new ATOM 0 HB3 PRO A 81 9.882 11.123 27.029 1.00 0.00 H new ATOM 0 HG2 PRO A 81 8.128 11.103 29.408 1.00 0.00 H new ATOM 0 HG3 PRO A 81 8.740 12.476 28.507 1.00 0.00 H new ATOM 0 HD2 PRO A 81 6.089 11.389 28.386 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.735 12.686 27.402 1.00 0.00 H new ATOM 1312 N GLN A 82 7.330 7.716 25.996 1.00 0.00 N ATOM 1313 CA GLN A 82 6.948 6.334 26.231 1.00 0.00 C ATOM 1314 C GLN A 82 6.193 5.779 25.021 1.00 0.00 C ATOM 1315 O GLN A 82 5.213 5.052 25.176 1.00 0.00 O ATOM 1316 CB GLN A 82 6.112 6.204 27.505 1.00 0.00 C ATOM 1317 CG GLN A 82 6.895 5.482 28.604 1.00 0.00 C ATOM 1318 CD GLN A 82 6.050 5.331 29.870 1.00 0.00 C ATOM 1319 OE1 GLN A 82 5.607 6.296 30.470 1.00 0.00 O ATOM 1320 NE2 GLN A 82 5.854 4.069 30.242 1.00 0.00 N ATOM 0 H GLN A 82 7.214 8.033 25.033 1.00 0.00 H new ATOM 0 HA GLN A 82 7.855 5.746 26.370 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.818 7.194 27.854 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.195 5.657 27.288 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.204 4.499 28.249 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.804 6.038 28.833 1.00 0.00 H new ATOM 0 HE21 GLN A 82 6.254 3.308 29.693 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.304 3.863 31.076 1.00 0.00 H new ATOM 1329 N SER A 83 6.679 6.143 23.843 1.00 0.00 N ATOM 1330 CA SER A 83 6.062 5.691 22.607 1.00 0.00 C ATOM 1331 C SER A 83 6.361 4.207 22.385 1.00 0.00 C ATOM 1332 O SER A 83 5.505 3.462 21.913 1.00 0.00 O ATOM 1333 CB SER A 83 6.550 6.515 21.414 1.00 0.00 C ATOM 1334 OG SER A 83 6.661 5.728 20.232 1.00 0.00 O ATOM 0 H SER A 83 7.493 6.745 23.718 1.00 0.00 H new ATOM 0 HA SER A 83 4.984 5.829 22.693 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.860 7.340 21.237 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.519 6.955 21.649 1.00 0.00 H new ATOM 0 HG SER A 83 7.256 6.176 19.595 1.00 0.00 H new ATOM 1340 N GLU A 84 7.579 3.823 22.737 1.00 0.00 N ATOM 1341 CA GLU A 84 8.002 2.442 22.582 1.00 0.00 C ATOM 1342 C GLU A 84 7.269 1.547 23.584 1.00 0.00 C ATOM 1343 O GLU A 84 6.926 0.408 23.269 1.00 0.00 O ATOM 1344 CB GLU A 84 9.519 2.312 22.739 1.00 0.00 C ATOM 1345 CG GLU A 84 10.062 1.168 21.881 1.00 0.00 C ATOM 1346 CD GLU A 84 11.571 1.309 21.670 1.00 0.00 C ATOM 1347 OE1 GLU A 84 12.265 1.552 22.682 1.00 0.00 O ATOM 1348 OE2 GLU A 84 11.997 1.171 20.503 1.00 0.00 O ATOM 0 H GLU A 84 8.286 4.444 23.129 1.00 0.00 H new ATOM 0 HA GLU A 84 7.744 2.114 21.575 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.000 3.247 22.451 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.766 2.135 23.786 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.846 0.214 22.362 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.555 1.160 20.916 1.00 0.00 H new ATOM 1355 N ASP A 85 7.051 2.095 24.770 1.00 0.00 N ATOM 1356 CA ASP A 85 6.365 1.361 25.819 1.00 0.00 C ATOM 1357 C ASP A 85 4.935 1.053 25.369 1.00 0.00 C ATOM 1358 O ASP A 85 4.535 -0.108 25.312 1.00 0.00 O ATOM 1359 CB ASP A 85 6.288 2.183 27.107 1.00 0.00 C ATOM 1360 CG ASP A 85 6.223 1.361 28.396 1.00 0.00 C ATOM 1361 OD1 ASP A 85 5.130 0.820 28.669 1.00 0.00 O ATOM 1362 OD2 ASP A 85 7.268 1.292 29.079 1.00 0.00 O ATOM 0 H ASP A 85 7.338 3.039 25.028 1.00 0.00 H new ATOM 0 HA ASP A 85 6.923 0.444 26.009 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.158 2.838 27.155 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.408 2.825 27.058 1.00 0.00 H new ATOM 1367 N MET A 86 4.204 2.115 25.062 1.00 0.00 N ATOM 1368 CA MET A 86 2.828 1.973 24.619 1.00 0.00 C ATOM 1369 C MET A 86 2.746 1.134 23.341 1.00 0.00 C ATOM 1370 O MET A 86 1.670 0.672 22.965 1.00 0.00 O ATOM 1371 CB MET A 86 2.229 3.357 24.360 1.00 0.00 C ATOM 1372 CG MET A 86 2.918 4.040 23.177 1.00 0.00 C ATOM 1373 SD MET A 86 1.764 5.105 22.329 1.00 0.00 S ATOM 1374 CE MET A 86 2.755 5.580 20.923 1.00 0.00 C ATOM 0 H MET A 86 4.539 3.077 25.111 1.00 0.00 H new ATOM 0 HA MET A 86 2.265 1.464 25.402 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.162 3.263 24.159 1.00 0.00 H new ATOM 0 HB3 MET A 86 2.333 3.975 25.252 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.771 4.621 23.528 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.306 3.289 22.489 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.105 5.788 20.073 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.329 6.474 21.168 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.437 4.769 20.668 1.00 0.00 H new ATOM 1384 N PHE A 87 3.898 0.963 22.710 1.00 0.00 N ATOM 1385 CA PHE A 87 3.971 0.188 21.483 1.00 0.00 C ATOM 1386 C PHE A 87 4.061 -1.309 21.784 1.00 0.00 C ATOM 1387 O PHE A 87 3.356 -2.112 21.174 1.00 0.00 O ATOM 1388 CB PHE A 87 5.242 0.626 20.752 1.00 0.00 C ATOM 1389 CG PHE A 87 4.985 1.527 19.542 1.00 0.00 C ATOM 1390 CD1 PHE A 87 3.995 1.218 18.662 1.00 0.00 C ATOM 1391 CD2 PHE A 87 5.746 2.637 19.347 1.00 0.00 C ATOM 1392 CE1 PHE A 87 3.757 2.054 17.539 1.00 0.00 C ATOM 1393 CE2 PHE A 87 5.508 3.473 18.224 1.00 0.00 C ATOM 1394 CZ PHE A 87 4.518 3.163 17.344 1.00 0.00 C ATOM 0 H PHE A 87 4.789 1.348 23.025 1.00 0.00 H new ATOM 0 HA PHE A 87 3.077 0.357 20.883 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.889 1.153 21.453 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.784 -0.261 20.423 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.390 0.337 18.817 1.00 0.00 H new ATOM 0 HD2 PHE A 87 6.531 2.883 20.046 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.971 1.808 16.840 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.113 4.354 18.069 1.00 0.00 H new ATOM 0 HZ PHE A 87 4.337 3.799 16.490 1.00 0.00 H new