USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 746 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 92 SER OG : rot 54:sc= -6.03! USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= -0.075 USER MOD Set 2.1: A 75 GLN : amide:sc= -0.986 K(o=-0.99,f=-6.2!) USER MOD Set 2.2: A 82 TYR OH : rot 30:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -6.79! C(o=-6.8!,f=-9.1!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 37 ASN : amide:sc= 0.378 K(o=0.38,f=-0.96) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -110:sc= -0.113 USER MOD Single : A 48 MET CE :methyl -108:sc= -1.01 (180deg=-1.86!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -3.12! C(o=-3.1!,f=-11!) USER MOD Single : A 54 GLN : amide:sc= -0.665 X(o=-0.67,f=-0.64) USER MOD Single : A 56 MET CE :methyl -158:sc= -4.67 (180deg=-5.65!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -10.3! C(o=-10!,f=-10!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc=-0.00105 X(o=-0.001,f=-0.074) USER MOD Single : A 78 ASN : amide:sc= -2.25 K(o=-2.3,f=-4.4!) USER MOD Single : A 83 CYS SG : rot -173:sc= -2.43 USER MOD Single : A 86 TYR OH : rot -98:sc= -0.84! USER MOD Single : A 88 SER OG : rot -170:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -102:sc= -2.21 (180deg=-4.68!) USER MOD Single : A 95 SER OG : rot -31:sc= 0.403 USER MOD Single : A 96 ASN : amide:sc= -0.268 K(o=-0.27,f=-2.3!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 9 -8.054 -1.646 -1.163 1.00 0.00 N ATOM 84 CA VAL A 9 -7.344 -0.852 -2.152 1.00 0.00 C ATOM 85 C VAL A 9 -6.026 -0.358 -1.552 1.00 0.00 C ATOM 86 O VAL A 9 -6.027 0.432 -0.609 1.00 0.00 O ATOM 87 CB VAL A 9 -8.239 0.286 -2.649 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.400 1.461 -3.154 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.201 -0.207 -3.732 1.00 0.00 C ATOM 0 HA VAL A 9 -7.097 -1.458 -3.024 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.835 0.637 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.060 2.256 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.775 1.836 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.767 1.129 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.826 0.621 -4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.631 -0.597 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.833 -0.997 -3.325 1.00 0.00 H new ATOM 99 N ILE A 10 -4.934 -0.843 -2.123 1.00 0.00 N ATOM 100 CA ILE A 10 -3.612 -0.461 -1.657 1.00 0.00 C ATOM 101 C ILE A 10 -3.283 0.944 -2.166 1.00 0.00 C ATOM 102 O ILE A 10 -2.542 1.099 -3.135 1.00 0.00 O ATOM 103 CB ILE A 10 -2.578 -1.516 -2.053 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.930 -2.880 -1.455 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.165 -1.070 -1.671 1.00 0.00 C ATOM 106 CD1 ILE A 10 -3.201 -2.767 0.046 1.00 0.00 C ATOM 0 H ILE A 10 -4.937 -1.498 -2.905 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.590 -0.420 -0.568 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.599 -1.625 -3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.808 -3.285 -1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.112 -3.579 -1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.449 -1.838 -1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.927 -0.138 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.111 -0.916 -0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.449 -3.750 0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.313 -2.384 0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.035 -2.086 0.215 1.00 0.00 H new ATOM 118 N ARG A 11 -3.851 1.932 -1.489 1.00 0.00 N ATOM 119 CA ARG A 11 -3.627 3.318 -1.861 1.00 0.00 C ATOM 120 C ARG A 11 -2.132 3.643 -1.824 1.00 0.00 C ATOM 121 O ARG A 11 -1.564 3.850 -0.753 1.00 0.00 O ATOM 122 CB ARG A 11 -4.371 4.268 -0.920 1.00 0.00 C ATOM 123 CG ARG A 11 -5.873 3.974 -0.920 1.00 0.00 C ATOM 124 CD ARG A 11 -6.620 4.938 0.003 1.00 0.00 C ATOM 125 NE ARG A 11 -8.032 4.514 0.142 1.00 0.00 N ATOM 126 CZ ARG A 11 -8.883 5.022 1.043 1.00 0.00 C ATOM 127 NH1 ARG A 11 -8.472 5.975 1.891 1.00 0.00 N ATOM 128 NH2 ARG A 11 -10.146 4.577 1.097 1.00 0.00 N ATOM 0 H ARG A 11 -4.465 1.800 -0.686 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.007 3.455 -2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.977 4.167 0.091 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.199 5.299 -1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.264 4.059 -1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.046 2.948 -0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.141 4.962 0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.573 5.950 -0.400 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.378 3.790 -0.488 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.511 6.314 1.850 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.120 6.362 2.577 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.459 3.852 0.452 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.794 4.964 1.783 1.00 0.00 H new ATOM 142 N VAL A 12 -1.537 3.679 -3.008 1.00 0.00 N ATOM 143 CA VAL A 12 -0.120 3.975 -3.124 1.00 0.00 C ATOM 144 C VAL A 12 0.062 5.461 -3.439 1.00 0.00 C ATOM 145 O VAL A 12 -0.301 5.919 -4.521 1.00 0.00 O ATOM 146 CB VAL A 12 0.522 3.060 -4.169 1.00 0.00 C ATOM 147 CG1 VAL A 12 1.901 3.580 -4.581 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.609 1.621 -3.657 1.00 0.00 C ATOM 0 H VAL A 12 -2.011 3.508 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 12 0.390 3.777 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.115 3.063 -5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.335 2.911 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.801 4.579 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.551 3.621 -3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.069 0.991 -4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.213 1.593 -2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.393 1.252 -3.437 1.00 0.00 H new ATOM 158 N PHE A 13 0.624 6.173 -2.473 1.00 0.00 N ATOM 159 CA PHE A 13 0.858 7.598 -2.633 1.00 0.00 C ATOM 160 C PHE A 13 2.070 7.857 -3.531 1.00 0.00 C ATOM 161 O PHE A 13 3.141 7.294 -3.312 1.00 0.00 O ATOM 162 CB PHE A 13 1.140 8.165 -1.240 1.00 0.00 C ATOM 163 CG PHE A 13 -0.118 8.434 -0.412 1.00 0.00 C ATOM 164 CD1 PHE A 13 -1.243 7.701 -0.626 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.110 9.407 0.539 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.410 7.951 0.143 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.278 9.656 1.308 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.403 8.923 1.093 1.00 0.00 C ATOM 0 H PHE A 13 0.924 5.789 -1.577 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.010 8.068 -3.095 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.778 7.467 -0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.700 9.094 -1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.249 6.929 -1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.783 9.989 0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.304 7.369 -0.027 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.273 10.428 2.064 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.291 9.113 1.677 1.00 0.00 H new ATOM 178 N ILE A 14 1.860 8.710 -4.523 1.00 0.00 N ATOM 179 CA ILE A 14 2.922 9.050 -5.455 1.00 0.00 C ATOM 180 C ILE A 14 2.946 10.566 -5.663 1.00 0.00 C ATOM 181 O ILE A 14 1.897 11.208 -5.697 1.00 0.00 O ATOM 182 CB ILE A 14 2.771 8.254 -6.753 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.460 8.602 -7.461 1.00 0.00 C ATOM 184 CG2 ILE A 14 2.900 6.752 -6.493 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.727 9.243 -8.825 1.00 0.00 C ATOM 0 H ILE A 14 0.970 9.176 -4.702 1.00 0.00 H new ATOM 0 HA ILE A 14 3.892 8.768 -5.046 1.00 0.00 H new ATOM 0 HB ILE A 14 3.583 8.536 -7.423 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.862 7.700 -7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.878 9.285 -6.842 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.789 6.209 -7.432 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.880 6.540 -6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.124 6.435 -5.797 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.779 9.481 -9.307 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.305 10.157 -8.690 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.288 8.548 -9.450 1.00 0.00 H new ATOM 197 N ALA A 15 4.154 11.093 -5.795 1.00 0.00 N ATOM 198 CA ALA A 15 4.328 12.522 -5.998 1.00 0.00 C ATOM 199 C ALA A 15 4.943 12.765 -7.378 1.00 0.00 C ATOM 200 O ALA A 15 6.151 12.963 -7.497 1.00 0.00 O ATOM 201 CB ALA A 15 5.185 13.097 -4.869 1.00 0.00 C ATOM 0 H ALA A 15 5.021 10.557 -5.765 1.00 0.00 H new ATOM 0 HA ALA A 15 3.366 13.034 -5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.316 14.168 -5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.691 12.924 -3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.160 12.609 -4.868 1.00 0.00 H new ATOM 207 N SER A 16 4.083 12.741 -8.386 1.00 0.00 N ATOM 208 CA SER A 16 4.526 12.956 -9.753 1.00 0.00 C ATOM 209 C SER A 16 5.608 14.037 -9.788 1.00 0.00 C ATOM 210 O SER A 16 6.490 14.011 -10.645 1.00 0.00 O ATOM 211 CB SER A 16 3.355 13.347 -10.657 1.00 0.00 C ATOM 212 OG SER A 16 3.795 13.970 -11.860 1.00 0.00 O ATOM 0 H SER A 16 3.082 12.576 -8.283 1.00 0.00 H new ATOM 0 HA SER A 16 4.943 12.021 -10.129 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.773 12.458 -10.901 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.692 14.025 -10.119 1.00 0.00 H new ATOM 0 HG SER A 16 3.019 14.203 -12.411 1.00 0.00 H new ATOM 218 N SER A 17 5.505 14.963 -8.846 1.00 0.00 N ATOM 219 CA SER A 17 6.463 16.052 -8.759 1.00 0.00 C ATOM 220 C SER A 17 7.154 16.033 -7.393 1.00 0.00 C ATOM 221 O SER A 17 6.721 16.714 -6.465 1.00 0.00 O ATOM 222 CB SER A 17 5.785 17.403 -8.992 1.00 0.00 C ATOM 223 OG SER A 17 6.629 18.310 -9.695 1.00 0.00 O ATOM 0 H SER A 17 4.773 14.982 -8.136 1.00 0.00 H new ATOM 0 HA SER A 17 7.211 15.913 -9.540 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.864 17.254 -9.556 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.505 17.838 -8.033 1.00 0.00 H new ATOM 0 HG SER A 17 6.159 19.160 -9.825 1.00 0.00 H new ATOM 229 N SER A 18 8.216 15.245 -7.314 1.00 0.00 N ATOM 230 CA SER A 18 8.971 15.128 -6.078 1.00 0.00 C ATOM 231 C SER A 18 10.382 15.686 -6.272 1.00 0.00 C ATOM 232 O SER A 18 10.824 16.545 -5.511 1.00 0.00 O ATOM 233 CB SER A 18 9.034 13.674 -5.607 1.00 0.00 C ATOM 234 OG SER A 18 9.227 13.577 -4.198 1.00 0.00 O ATOM 0 H SER A 18 8.572 14.681 -8.086 1.00 0.00 H new ATOM 0 HA SER A 18 8.461 15.708 -5.309 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.111 13.163 -5.883 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.847 13.161 -6.120 1.00 0.00 H new ATOM 0 HG SER A 18 9.260 12.633 -3.937 1.00 0.00 H new ATOM 240 N GLY A 19 11.051 15.173 -7.294 1.00 0.00 N ATOM 241 CA GLY A 19 12.404 15.609 -7.598 1.00 0.00 C ATOM 242 C GLY A 19 13.329 14.410 -7.818 1.00 0.00 C ATOM 243 O GLY A 19 13.935 14.276 -8.880 1.00 0.00 O ATOM 0 H GLY A 19 10.682 14.459 -7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.396 16.236 -8.490 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.785 16.222 -6.781 1.00 0.00 H new ATOM 247 N PHE A 20 13.410 13.570 -6.796 1.00 0.00 N ATOM 248 CA PHE A 20 14.251 12.388 -6.865 1.00 0.00 C ATOM 249 C PHE A 20 13.615 11.312 -7.747 1.00 0.00 C ATOM 250 O PHE A 20 12.707 10.605 -7.312 1.00 0.00 O ATOM 251 CB PHE A 20 14.383 11.849 -5.439 1.00 0.00 C ATOM 252 CG PHE A 20 15.070 12.814 -4.470 1.00 0.00 C ATOM 253 CD1 PHE A 20 16.064 13.629 -4.913 1.00 0.00 C ATOM 254 CD2 PHE A 20 14.687 12.856 -3.166 1.00 0.00 C ATOM 255 CE1 PHE A 20 16.702 14.524 -4.014 1.00 0.00 C ATOM 256 CE2 PHE A 20 15.325 13.751 -2.267 1.00 0.00 C ATOM 257 CZ PHE A 20 16.319 14.566 -2.710 1.00 0.00 C ATOM 0 H PHE A 20 12.907 13.685 -5.916 1.00 0.00 H new ATOM 0 HA PHE A 20 15.219 12.646 -7.294 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.390 11.613 -5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.945 10.915 -5.465 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.368 13.596 -5.949 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.897 12.209 -2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.492 15.171 -4.366 1.00 0.00 H new ATOM 0 HE2 PHE A 20 15.021 13.784 -1.231 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.804 15.247 -2.026 1.00 0.00 H new ATOM 267 N VAL A 21 14.116 11.222 -8.970 1.00 0.00 N ATOM 268 CA VAL A 21 13.607 10.244 -9.917 1.00 0.00 C ATOM 269 C VAL A 21 13.576 8.866 -9.254 1.00 0.00 C ATOM 270 O VAL A 21 12.636 8.098 -9.453 1.00 0.00 O ATOM 271 CB VAL A 21 14.444 10.273 -11.198 1.00 0.00 C ATOM 272 CG1 VAL A 21 15.643 9.329 -11.091 1.00 0.00 C ATOM 273 CG2 VAL A 21 13.587 9.934 -12.420 1.00 0.00 C ATOM 0 H VAL A 21 14.869 11.810 -9.327 1.00 0.00 H new ATOM 0 HA VAL A 21 12.585 10.488 -10.206 1.00 0.00 H new ATOM 0 HB VAL A 21 14.826 11.286 -11.326 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.221 9.369 -12.014 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.273 9.634 -10.255 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.291 8.311 -10.927 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.205 9.961 -13.317 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.163 8.937 -12.302 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.781 10.662 -12.513 1.00 0.00 H new ATOM 283 N ALA A 22 14.616 8.595 -8.478 1.00 0.00 N ATOM 284 CA ALA A 22 14.719 7.322 -7.784 1.00 0.00 C ATOM 285 C ALA A 22 13.373 6.986 -7.140 1.00 0.00 C ATOM 286 O ALA A 22 12.878 5.868 -7.274 1.00 0.00 O ATOM 287 CB ALA A 22 15.854 7.390 -6.760 1.00 0.00 C ATOM 0 H ALA A 22 15.394 9.234 -8.315 1.00 0.00 H new ATOM 0 HA ALA A 22 14.958 6.522 -8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.932 6.436 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.793 7.602 -7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.647 8.181 -6.039 1.00 0.00 H new ATOM 293 N ILE A 23 12.817 7.975 -6.456 1.00 0.00 N ATOM 294 CA ILE A 23 11.537 7.798 -5.791 1.00 0.00 C ATOM 295 C ILE A 23 10.505 7.302 -6.805 1.00 0.00 C ATOM 296 O ILE A 23 9.740 6.382 -6.518 1.00 0.00 O ATOM 297 CB ILE A 23 11.124 9.084 -5.073 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.983 9.317 -3.828 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.630 9.074 -4.744 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.624 10.643 -3.154 1.00 0.00 C ATOM 0 H ILE A 23 13.229 8.902 -6.348 1.00 0.00 H new ATOM 0 HA ILE A 23 11.613 7.037 -5.014 1.00 0.00 H new ATOM 0 HB ILE A 23 11.299 9.922 -5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.840 8.497 -3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 23 13.037 9.319 -4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.364 10.000 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.055 8.989 -5.666 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.406 8.226 -4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.249 10.784 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.791 11.463 -3.852 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.575 10.628 -2.857 1.00 0.00 H new ATOM 312 N LYS A 24 10.516 7.932 -7.970 1.00 0.00 N ATOM 313 CA LYS A 24 9.591 7.566 -9.028 1.00 0.00 C ATOM 314 C LYS A 24 9.674 6.058 -9.274 1.00 0.00 C ATOM 315 O LYS A 24 8.675 5.350 -9.152 1.00 0.00 O ATOM 316 CB LYS A 24 9.847 8.408 -10.280 1.00 0.00 C ATOM 317 CG LYS A 24 8.658 9.322 -10.580 1.00 0.00 C ATOM 318 CD LYS A 24 8.599 9.675 -12.067 1.00 0.00 C ATOM 319 CE LYS A 24 8.455 11.185 -12.267 1.00 0.00 C ATOM 320 NZ LYS A 24 7.415 11.478 -13.278 1.00 0.00 N ATOM 0 H LYS A 24 11.152 8.694 -8.205 1.00 0.00 H new ATOM 0 HA LYS A 24 8.566 7.785 -8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.746 9.009 -10.141 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.030 7.753 -11.132 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.732 8.830 -10.283 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.738 10.234 -9.989 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.503 9.323 -12.564 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.758 9.161 -12.533 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.195 11.660 -11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.408 11.608 -12.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.331 12.507 -13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.679 11.041 -14.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.503 11.092 -12.960 1.00 0.00 H new ATOM 334 N LYS A 25 10.873 5.612 -9.615 1.00 0.00 N ATOM 335 CA LYS A 25 11.100 4.201 -9.879 1.00 0.00 C ATOM 336 C LYS A 25 10.451 3.369 -8.770 1.00 0.00 C ATOM 337 O LYS A 25 9.681 2.451 -9.048 1.00 0.00 O ATOM 338 CB LYS A 25 12.593 3.923 -10.062 1.00 0.00 C ATOM 339 CG LYS A 25 13.081 4.427 -11.422 1.00 0.00 C ATOM 340 CD LYS A 25 14.005 5.636 -11.259 1.00 0.00 C ATOM 341 CE LYS A 25 15.367 5.376 -11.905 1.00 0.00 C ATOM 342 NZ LYS A 25 16.240 4.612 -10.985 1.00 0.00 N ATOM 0 H LYS A 25 11.699 6.203 -9.715 1.00 0.00 H new ATOM 0 HA LYS A 25 10.628 3.908 -10.817 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.157 4.409 -9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.780 2.853 -9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.610 3.628 -11.942 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.226 4.699 -12.041 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.545 6.514 -11.713 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.137 5.857 -10.200 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.235 4.822 -12.835 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.841 6.323 -12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.160 4.444 -11.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.380 5.154 -10.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.794 3.700 -10.760 1.00 0.00 H new ATOM 356 N LYS A 26 10.787 3.720 -7.537 1.00 0.00 N ATOM 357 CA LYS A 26 10.247 3.017 -6.386 1.00 0.00 C ATOM 358 C LYS A 26 8.724 2.943 -6.508 1.00 0.00 C ATOM 359 O LYS A 26 8.136 1.874 -6.347 1.00 0.00 O ATOM 360 CB LYS A 26 10.729 3.667 -5.087 1.00 0.00 C ATOM 361 CG LYS A 26 12.243 3.517 -4.928 1.00 0.00 C ATOM 362 CD LYS A 26 12.756 4.349 -3.751 1.00 0.00 C ATOM 363 CE LYS A 26 14.282 4.290 -3.662 1.00 0.00 C ATOM 364 NZ LYS A 26 14.759 5.015 -2.463 1.00 0.00 N ATOM 0 H LYS A 26 11.426 4.482 -7.310 1.00 0.00 H new ATOM 0 HA LYS A 26 10.615 1.992 -6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.462 4.724 -5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.223 3.208 -4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.494 2.468 -4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.741 3.832 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.435 5.384 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.319 3.980 -2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.610 3.251 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.722 4.728 -4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.797 4.965 -2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.462 6.010 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.354 4.580 -1.610 1.00 0.00 H new ATOM 378 N GLN A 27 8.128 4.092 -6.791 1.00 0.00 N ATOM 379 CA GLN A 27 6.684 4.170 -6.936 1.00 0.00 C ATOM 380 C GLN A 27 6.202 3.175 -7.994 1.00 0.00 C ATOM 381 O GLN A 27 5.127 2.593 -7.860 1.00 0.00 O ATOM 382 CB GLN A 27 6.244 5.594 -7.282 1.00 0.00 C ATOM 383 CG GLN A 27 6.383 6.520 -6.072 1.00 0.00 C ATOM 384 CD GLN A 27 6.556 7.975 -6.513 1.00 0.00 C ATOM 385 OE1 GLN A 27 7.257 8.758 -5.895 1.00 0.00 O ATOM 386 NE2 GLN A 27 5.878 8.291 -7.613 1.00 0.00 N ATOM 0 H GLN A 27 8.619 4.976 -6.924 1.00 0.00 H new ATOM 0 HA GLN A 27 6.228 3.905 -5.982 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.847 5.974 -8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.208 5.586 -7.621 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.501 6.431 -5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.240 6.214 -5.472 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.309 7.586 -8.082 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.927 9.238 -7.988 1.00 0.00 H new ATOM 395 N GLN A 28 7.021 3.010 -9.022 1.00 0.00 N ATOM 396 CA GLN A 28 6.692 2.095 -10.102 1.00 0.00 C ATOM 397 C GLN A 28 6.758 0.648 -9.610 1.00 0.00 C ATOM 398 O GLN A 28 5.736 -0.033 -9.537 1.00 0.00 O ATOM 399 CB GLN A 28 7.617 2.309 -11.302 1.00 0.00 C ATOM 400 CG GLN A 28 7.321 3.642 -11.992 1.00 0.00 C ATOM 401 CD GLN A 28 8.506 4.090 -12.850 1.00 0.00 C ATOM 402 OE1 GLN A 28 9.309 3.295 -13.309 1.00 0.00 O ATOM 403 NE2 GLN A 28 8.569 5.405 -13.040 1.00 0.00 N ATOM 0 H GLN A 28 7.912 3.495 -9.130 1.00 0.00 H new ATOM 0 HA GLN A 28 5.673 2.301 -10.429 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.656 2.289 -10.973 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.492 1.492 -12.013 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.433 3.543 -12.616 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.102 4.403 -11.243 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.863 6.014 -12.627 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.323 5.804 -13.599 1.00 0.00 H new ATOM 412 N ASP A 29 7.969 0.221 -9.286 1.00 0.00 N ATOM 413 CA ASP A 29 8.181 -1.133 -8.803 1.00 0.00 C ATOM 414 C ASP A 29 7.023 -1.531 -7.887 1.00 0.00 C ATOM 415 O ASP A 29 6.656 -2.703 -7.816 1.00 0.00 O ATOM 416 CB ASP A 29 9.478 -1.234 -7.997 1.00 0.00 C ATOM 417 CG ASP A 29 10.378 -2.415 -8.365 1.00 0.00 C ATOM 418 OD1 ASP A 29 9.859 -3.340 -9.027 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.565 -2.367 -7.976 1.00 0.00 O ATOM 0 H ASP A 29 8.814 0.789 -9.348 1.00 0.00 H new ATOM 0 HA ASP A 29 8.242 -1.793 -9.668 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.043 -0.311 -8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.226 -1.305 -6.939 1.00 0.00 H new ATOM 424 N VAL A 30 6.478 -0.532 -7.207 1.00 0.00 N ATOM 425 CA VAL A 30 5.368 -0.762 -6.298 1.00 0.00 C ATOM 426 C VAL A 30 4.126 -1.146 -7.104 1.00 0.00 C ATOM 427 O VAL A 30 3.734 -2.312 -7.130 1.00 0.00 O ATOM 428 CB VAL A 30 5.151 0.468 -5.415 1.00 0.00 C ATOM 429 CG1 VAL A 30 3.878 0.324 -4.578 1.00 0.00 C ATOM 430 CG2 VAL A 30 6.368 0.723 -4.523 1.00 0.00 C ATOM 0 H VAL A 30 6.785 0.439 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 30 5.590 -1.592 -5.627 1.00 0.00 H new ATOM 0 HB VAL A 30 5.027 1.332 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.747 1.212 -3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.019 0.212 -5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.960 -0.555 -3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.188 1.603 -3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.537 -0.142 -3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.247 0.890 -5.146 1.00 0.00 H new ATOM 440 N VAL A 31 3.540 -0.143 -7.742 1.00 0.00 N ATOM 441 CA VAL A 31 2.350 -0.361 -8.547 1.00 0.00 C ATOM 442 C VAL A 31 2.616 -1.487 -9.548 1.00 0.00 C ATOM 443 O VAL A 31 1.805 -2.402 -9.689 1.00 0.00 O ATOM 444 CB VAL A 31 1.925 0.947 -9.217 1.00 0.00 C ATOM 445 CG1 VAL A 31 2.034 2.122 -8.244 1.00 0.00 C ATOM 446 CG2 VAL A 31 2.744 1.206 -10.483 1.00 0.00 C ATOM 0 H VAL A 31 3.867 0.823 -7.718 1.00 0.00 H new ATOM 0 HA VAL A 31 1.516 -0.675 -7.919 1.00 0.00 H new ATOM 0 HB VAL A 31 0.879 0.849 -9.509 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.726 3.039 -8.746 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.388 1.944 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.066 2.221 -7.908 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.422 2.142 -10.940 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.801 1.273 -10.225 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.594 0.388 -11.187 1.00 0.00 H new ATOM 456 N ARG A 32 3.754 -1.384 -10.218 1.00 0.00 N ATOM 457 CA ARG A 32 4.137 -2.382 -11.202 1.00 0.00 C ATOM 458 C ARG A 32 3.882 -3.789 -10.657 1.00 0.00 C ATOM 459 O ARG A 32 3.160 -4.574 -11.269 1.00 0.00 O ATOM 460 CB ARG A 32 5.614 -2.248 -11.577 1.00 0.00 C ATOM 461 CG ARG A 32 5.878 -0.925 -12.299 1.00 0.00 C ATOM 462 CD ARG A 32 6.082 -1.149 -13.798 1.00 0.00 C ATOM 463 NE ARG A 32 6.394 0.135 -14.465 1.00 0.00 N ATOM 464 CZ ARG A 32 5.479 1.068 -14.763 1.00 0.00 C ATOM 465 NH1 ARG A 32 4.191 0.865 -14.456 1.00 0.00 N ATOM 466 NH2 ARG A 32 5.853 2.203 -15.368 1.00 0.00 N ATOM 0 H ARG A 32 4.424 -0.624 -10.099 1.00 0.00 H new ATOM 0 HA ARG A 32 3.532 -2.218 -12.093 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.228 -2.305 -10.678 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.908 -3.080 -12.216 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.040 -0.246 -12.140 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.761 -0.446 -11.876 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.893 -1.859 -13.961 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.184 -1.586 -14.234 1.00 0.00 H new ATOM 0 HE ARG A 32 7.366 0.321 -14.713 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.907 0.000 -13.995 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.495 1.575 -14.683 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.834 2.357 -15.602 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.157 2.913 -15.595 1.00 0.00 H new ATOM 480 N PHE A 33 4.490 -4.065 -9.513 1.00 0.00 N ATOM 481 CA PHE A 33 4.338 -5.364 -8.879 1.00 0.00 C ATOM 482 C PHE A 33 2.860 -5.733 -8.733 1.00 0.00 C ATOM 483 O PHE A 33 2.449 -6.827 -9.118 1.00 0.00 O ATOM 484 CB PHE A 33 4.964 -5.258 -7.487 1.00 0.00 C ATOM 485 CG PHE A 33 5.165 -6.606 -6.791 1.00 0.00 C ATOM 486 CD1 PHE A 33 6.277 -7.346 -7.050 1.00 0.00 C ATOM 487 CD2 PHE A 33 4.233 -7.064 -5.914 1.00 0.00 C ATOM 488 CE1 PHE A 33 6.463 -8.597 -6.404 1.00 0.00 C ATOM 489 CE2 PHE A 33 4.419 -8.315 -5.268 1.00 0.00 C ATOM 490 CZ PHE A 33 5.531 -9.055 -5.527 1.00 0.00 C ATOM 0 H PHE A 33 5.089 -3.412 -9.008 1.00 0.00 H new ATOM 0 HA PHE A 33 4.819 -6.132 -9.484 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.928 -4.756 -7.571 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.331 -4.629 -6.862 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.018 -6.982 -7.747 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.351 -6.476 -5.708 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.345 -9.185 -6.610 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.678 -8.679 -4.571 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.673 -10.006 -5.036 1.00 0.00 H new ATOM 500 N LEU A 34 2.102 -4.800 -8.176 1.00 0.00 N ATOM 501 CA LEU A 34 0.679 -5.014 -7.975 1.00 0.00 C ATOM 502 C LEU A 34 0.024 -5.355 -9.315 1.00 0.00 C ATOM 503 O LEU A 34 -0.690 -6.351 -9.426 1.00 0.00 O ATOM 504 CB LEU A 34 0.050 -3.809 -7.272 1.00 0.00 C ATOM 505 CG LEU A 34 0.735 -3.352 -5.983 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.224 -1.977 -5.548 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.578 -4.398 -4.877 1.00 0.00 C ATOM 0 H LEU A 34 2.446 -3.894 -7.858 1.00 0.00 H new ATOM 0 HA LEU A 34 0.512 -5.864 -7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.038 -2.972 -7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.988 -4.048 -7.043 1.00 0.00 H new ATOM 0 HG LEU A 34 1.802 -3.251 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.727 -1.676 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.431 -1.247 -6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.851 -2.027 -5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.074 -4.048 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.481 -4.555 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.029 -5.337 -5.198 1.00 0.00 H new ATOM 519 N GLU A 35 0.291 -4.510 -10.300 1.00 0.00 N ATOM 520 CA GLU A 35 -0.263 -4.709 -11.628 1.00 0.00 C ATOM 521 C GLU A 35 0.131 -6.086 -12.166 1.00 0.00 C ATOM 522 O GLU A 35 -0.722 -6.844 -12.625 1.00 0.00 O ATOM 523 CB GLU A 35 0.184 -3.599 -12.581 1.00 0.00 C ATOM 524 CG GLU A 35 -0.502 -2.275 -12.241 1.00 0.00 C ATOM 525 CD GLU A 35 -2.009 -2.356 -12.495 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.700 -2.931 -11.627 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.435 -1.843 -13.552 1.00 0.00 O ATOM 0 H GLU A 35 0.884 -3.686 -10.205 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.350 -4.665 -11.557 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.266 -3.478 -12.522 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.050 -3.880 -13.608 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.319 -2.024 -11.196 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.071 -1.474 -12.841 1.00 0.00 H new ATOM 534 N ALA A 36 1.423 -6.367 -12.092 1.00 0.00 N ATOM 535 CA ALA A 36 1.941 -7.639 -12.567 1.00 0.00 C ATOM 536 C ALA A 36 1.383 -8.768 -11.698 1.00 0.00 C ATOM 537 O ALA A 36 1.343 -9.922 -12.122 1.00 0.00 O ATOM 538 CB ALA A 36 3.470 -7.602 -12.562 1.00 0.00 C ATOM 0 H ALA A 36 2.127 -5.736 -11.710 1.00 0.00 H new ATOM 0 HA ALA A 36 1.623 -7.824 -13.593 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.858 -8.556 -12.918 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.817 -6.802 -13.216 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.826 -7.421 -11.548 1.00 0.00 H new ATOM 544 N ASN A 37 0.965 -8.396 -10.496 1.00 0.00 N ATOM 545 CA ASN A 37 0.411 -9.362 -9.564 1.00 0.00 C ATOM 546 C ASN A 37 -1.115 -9.248 -9.564 1.00 0.00 C ATOM 547 O ASN A 37 -1.788 -9.878 -8.750 1.00 0.00 O ATOM 548 CB ASN A 37 0.905 -9.099 -8.140 1.00 0.00 C ATOM 549 CG ASN A 37 2.265 -9.758 -7.901 1.00 0.00 C ATOM 550 OD1 ASN A 37 2.366 -10.899 -7.483 1.00 0.00 O ATOM 551 ND2 ASN A 37 3.302 -8.976 -8.188 1.00 0.00 N ATOM 0 H ASN A 37 0.999 -7.438 -10.147 1.00 0.00 H new ATOM 0 HA ASN A 37 0.730 -10.356 -9.879 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.983 -8.025 -7.971 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.180 -9.483 -7.423 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.253 -9.323 -8.061 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.146 -8.029 -8.535 1.00 0.00 H new ATOM 558 N LYS A 38 -1.615 -8.439 -10.486 1.00 0.00 N ATOM 559 CA LYS A 38 -3.049 -8.234 -10.603 1.00 0.00 C ATOM 560 C LYS A 38 -3.626 -7.902 -9.226 1.00 0.00 C ATOM 561 O LYS A 38 -4.694 -8.392 -8.862 1.00 0.00 O ATOM 562 CB LYS A 38 -3.710 -9.441 -11.272 1.00 0.00 C ATOM 563 CG LYS A 38 -3.324 -9.529 -12.750 1.00 0.00 C ATOM 564 CD LYS A 38 -4.467 -9.049 -13.645 1.00 0.00 C ATOM 565 CE LYS A 38 -4.926 -10.160 -14.591 1.00 0.00 C ATOM 566 NZ LYS A 38 -6.224 -10.715 -14.147 1.00 0.00 N ATOM 0 H LYS A 38 -1.053 -7.918 -11.159 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.261 -7.384 -11.251 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.410 -10.355 -10.759 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.793 -9.364 -11.179 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.435 -8.925 -12.934 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.068 -10.558 -13.002 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.304 -8.723 -13.028 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.142 -8.185 -14.224 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.019 -9.768 -15.604 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.177 -10.951 -14.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.521 -11.468 -14.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.124 -11.107 -13.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.940 -9.961 -14.140 1.00 0.00 H new ATOM 580 N ILE A 39 -2.894 -7.071 -8.497 1.00 0.00 N ATOM 581 CA ILE A 39 -3.320 -6.668 -7.168 1.00 0.00 C ATOM 582 C ILE A 39 -4.076 -5.341 -7.260 1.00 0.00 C ATOM 583 O ILE A 39 -3.738 -4.485 -8.076 1.00 0.00 O ATOM 584 CB ILE A 39 -2.127 -6.630 -6.212 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.604 -8.041 -5.932 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.480 -5.884 -4.924 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.257 -7.993 -5.208 1.00 0.00 C ATOM 0 H ILE A 39 -2.009 -6.666 -8.802 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.011 -7.401 -6.751 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.321 -6.077 -6.694 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.327 -8.587 -5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.498 -8.586 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.614 -5.872 -4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.768 -4.860 -5.164 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.309 -6.388 -4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.092 -9.009 -5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.470 -7.467 -5.827 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.372 -7.469 -4.259 1.00 0.00 H new ATOM 599 N GLU A 40 -5.086 -5.212 -6.412 1.00 0.00 N ATOM 600 CA GLU A 40 -5.893 -4.003 -6.388 1.00 0.00 C ATOM 601 C GLU A 40 -5.166 -2.895 -5.624 1.00 0.00 C ATOM 602 O GLU A 40 -4.582 -3.142 -4.570 1.00 0.00 O ATOM 603 CB GLU A 40 -7.270 -4.276 -5.780 1.00 0.00 C ATOM 604 CG GLU A 40 -7.220 -4.197 -4.253 1.00 0.00 C ATOM 605 CD GLU A 40 -8.212 -5.175 -3.620 1.00 0.00 C ATOM 606 OE1 GLU A 40 -9.324 -5.296 -4.178 1.00 0.00 O ATOM 607 OE2 GLU A 40 -7.836 -5.780 -2.593 1.00 0.00 O ATOM 0 H GLU A 40 -5.364 -5.924 -5.737 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.045 -3.670 -7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.990 -3.552 -6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.617 -5.263 -6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.211 -4.422 -3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.449 -3.181 -3.930 1.00 0.00 H new ATOM 614 N PHE A 41 -5.225 -1.696 -6.186 1.00 0.00 N ATOM 615 CA PHE A 41 -4.579 -0.549 -5.571 1.00 0.00 C ATOM 616 C PHE A 41 -4.914 0.739 -6.327 1.00 0.00 C ATOM 617 O PHE A 41 -5.646 0.711 -7.315 1.00 0.00 O ATOM 618 CB PHE A 41 -3.070 -0.792 -5.645 1.00 0.00 C ATOM 619 CG PHE A 41 -2.483 -0.638 -7.049 1.00 0.00 C ATOM 620 CD1 PHE A 41 -2.140 0.595 -7.511 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.304 -1.732 -7.836 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.594 0.738 -8.814 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.759 -1.589 -9.139 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.416 -0.357 -9.601 1.00 0.00 C ATOM 0 H PHE A 41 -5.710 -1.494 -7.060 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.923 -0.435 -4.543 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.567 -0.096 -4.974 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.856 -1.797 -5.281 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.283 1.465 -6.887 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.577 -2.711 -7.470 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.320 1.716 -9.180 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.617 -2.459 -9.763 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.002 -0.248 -10.593 1.00 0.00 H new ATOM 634 N GLU A 42 -4.361 1.837 -5.833 1.00 0.00 N ATOM 635 CA GLU A 42 -4.592 3.133 -6.449 1.00 0.00 C ATOM 636 C GLU A 42 -3.390 4.051 -6.219 1.00 0.00 C ATOM 637 O GLU A 42 -2.780 4.025 -5.152 1.00 0.00 O ATOM 638 CB GLU A 42 -5.878 3.770 -5.920 1.00 0.00 C ATOM 639 CG GLU A 42 -5.736 4.147 -4.444 1.00 0.00 C ATOM 640 CD GLU A 42 -6.851 5.102 -4.012 1.00 0.00 C ATOM 641 OE1 GLU A 42 -8.005 4.847 -4.417 1.00 0.00 O ATOM 642 OE2 GLU A 42 -6.523 6.066 -3.287 1.00 0.00 O ATOM 0 H GLU A 42 -3.754 1.856 -5.014 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.713 2.987 -7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.115 4.659 -6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.709 3.076 -6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.766 3.247 -3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.766 4.615 -4.276 1.00 0.00 H new ATOM 649 N GLU A 43 -3.086 4.841 -7.239 1.00 0.00 N ATOM 650 CA GLU A 43 -1.968 5.766 -7.161 1.00 0.00 C ATOM 651 C GLU A 43 -2.446 7.137 -6.680 1.00 0.00 C ATOM 652 O GLU A 43 -2.821 7.986 -7.487 1.00 0.00 O ATOM 653 CB GLU A 43 -1.254 5.876 -8.510 1.00 0.00 C ATOM 654 CG GLU A 43 -0.378 4.649 -8.769 1.00 0.00 C ATOM 655 CD GLU A 43 -0.817 3.921 -10.042 1.00 0.00 C ATOM 656 OE1 GLU A 43 -2.047 3.802 -10.232 1.00 0.00 O ATOM 657 OE2 GLU A 43 0.087 3.501 -10.795 1.00 0.00 O ATOM 0 H GLU A 43 -3.594 4.859 -8.123 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.251 5.379 -6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.990 5.977 -9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.640 6.776 -8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.664 4.955 -8.862 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.437 3.970 -7.919 1.00 0.00 H new ATOM 664 N VAL A 44 -2.417 7.311 -5.367 1.00 0.00 N ATOM 665 CA VAL A 44 -2.843 8.565 -4.768 1.00 0.00 C ATOM 666 C VAL A 44 -1.796 9.643 -5.056 1.00 0.00 C ATOM 667 O VAL A 44 -0.813 9.770 -4.328 1.00 0.00 O ATOM 668 CB VAL A 44 -3.103 8.369 -3.273 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.304 9.713 -2.571 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.301 7.446 -3.042 1.00 0.00 C ATOM 0 H VAL A 44 -2.105 6.604 -4.701 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.783 8.898 -5.207 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.224 7.893 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.487 9.545 -1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.410 10.324 -2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.159 10.228 -3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.465 7.323 -1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.190 7.883 -3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.103 6.473 -3.493 1.00 0.00 H new ATOM 680 N ASP A 45 -2.044 10.393 -6.120 1.00 0.00 N ATOM 681 CA ASP A 45 -1.135 11.457 -6.513 1.00 0.00 C ATOM 682 C ASP A 45 -1.101 12.524 -5.417 1.00 0.00 C ATOM 683 O ASP A 45 -1.901 13.458 -5.430 1.00 0.00 O ATOM 684 CB ASP A 45 -1.598 12.125 -7.809 1.00 0.00 C ATOM 685 CG ASP A 45 -0.595 13.101 -8.428 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.271 13.584 -7.666 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.716 13.341 -9.649 1.00 0.00 O ATOM 0 H ASP A 45 -2.861 10.285 -6.722 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.148 11.019 -6.665 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.824 11.348 -8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.528 12.659 -7.613 1.00 0.00 H new ATOM 692 N ILE A 46 -0.166 12.349 -4.495 1.00 0.00 N ATOM 693 CA ILE A 46 -0.017 13.285 -3.394 1.00 0.00 C ATOM 694 C ILE A 46 0.426 14.644 -3.941 1.00 0.00 C ATOM 695 O ILE A 46 0.123 15.682 -3.356 1.00 0.00 O ATOM 696 CB ILE A 46 0.922 12.715 -2.329 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.330 12.512 -2.891 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.353 11.428 -1.729 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.332 12.227 -1.771 1.00 0.00 C ATOM 0 H ILE A 46 0.496 11.573 -4.488 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.973 13.439 -2.893 1.00 0.00 H new ATOM 0 HB ILE A 46 1.001 13.440 -1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.326 11.684 -3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.637 13.401 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.040 11.044 -0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.612 11.637 -1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.226 10.685 -2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.325 12.087 -2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.351 13.067 -1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.035 11.323 -1.238 1.00 0.00 H new ATOM 711 N THR A 47 1.138 14.592 -5.057 1.00 0.00 N ATOM 712 CA THR A 47 1.627 15.805 -5.690 1.00 0.00 C ATOM 713 C THR A 47 0.456 16.684 -6.134 1.00 0.00 C ATOM 714 O THR A 47 0.444 17.887 -5.874 1.00 0.00 O ATOM 715 CB THR A 47 2.551 15.400 -6.840 1.00 0.00 C ATOM 716 OG1 THR A 47 3.862 15.547 -6.299 1.00 0.00 O ATOM 717 CG2 THR A 47 2.513 16.395 -8.001 1.00 0.00 C ATOM 0 H THR A 47 1.388 13.729 -5.539 1.00 0.00 H new ATOM 0 HA THR A 47 2.202 16.411 -4.990 1.00 0.00 H new ATOM 0 HB THR A 47 2.269 14.411 -7.201 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.308 16.309 -6.724 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.187 16.060 -8.790 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.498 16.458 -8.393 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.827 17.377 -7.649 1.00 0.00 H new ATOM 725 N MET A 48 -0.501 16.050 -6.795 1.00 0.00 N ATOM 726 CA MET A 48 -1.674 16.759 -7.277 1.00 0.00 C ATOM 727 C MET A 48 -2.536 17.249 -6.112 1.00 0.00 C ATOM 728 O MET A 48 -2.864 18.432 -6.032 1.00 0.00 O ATOM 729 CB MET A 48 -2.502 15.831 -8.169 1.00 0.00 C ATOM 730 CG MET A 48 -1.977 15.840 -9.606 1.00 0.00 C ATOM 731 SD MET A 48 -2.188 17.461 -10.322 1.00 0.00 S ATOM 732 CE MET A 48 -0.505 18.053 -10.251 1.00 0.00 C ATOM 0 H MET A 48 -0.488 15.053 -7.008 1.00 0.00 H new ATOM 0 HA MET A 48 -1.341 17.626 -7.848 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.470 14.816 -7.773 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.546 16.145 -8.157 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.923 15.562 -9.619 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.510 15.098 -10.201 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.421 18.818 -9.480 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.162 17.224 -10.014 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.228 18.478 -11.216 1.00 0.00 H new ATOM 742 N SER A 49 -2.878 16.316 -5.236 1.00 0.00 N ATOM 743 CA SER A 49 -3.695 16.638 -4.079 1.00 0.00 C ATOM 744 C SER A 49 -2.804 16.862 -2.855 1.00 0.00 C ATOM 745 O SER A 49 -2.286 15.908 -2.277 1.00 0.00 O ATOM 746 CB SER A 49 -4.713 15.531 -3.798 1.00 0.00 C ATOM 747 OG SER A 49 -5.645 15.379 -4.866 1.00 0.00 O ATOM 0 H SER A 49 -2.604 15.336 -5.305 1.00 0.00 H new ATOM 0 HA SER A 49 -4.245 17.554 -4.293 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.189 14.589 -3.637 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.250 15.758 -2.877 1.00 0.00 H new ATOM 0 HG SER A 49 -6.277 14.662 -4.649 1.00 0.00 H new ATOM 753 N GLU A 50 -2.653 18.129 -2.498 1.00 0.00 N ATOM 754 CA GLU A 50 -1.833 18.491 -1.353 1.00 0.00 C ATOM 755 C GLU A 50 -2.268 17.700 -0.118 1.00 0.00 C ATOM 756 O GLU A 50 -1.441 17.082 0.551 1.00 0.00 O ATOM 757 CB GLU A 50 -1.894 19.997 -1.090 1.00 0.00 C ATOM 758 CG GLU A 50 -1.057 20.373 0.134 1.00 0.00 C ATOM 759 CD GLU A 50 -0.293 21.677 -0.103 1.00 0.00 C ATOM 760 OE1 GLU A 50 -0.892 22.742 0.163 1.00 0.00 O ATOM 761 OE2 GLU A 50 0.872 21.580 -0.546 1.00 0.00 O ATOM 0 H GLU A 50 -3.084 18.917 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.797 18.236 -1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.530 20.538 -1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.929 20.301 -0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.706 20.480 1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.354 19.571 0.358 1.00 0.00 H new ATOM 768 N GLU A 51 -3.565 17.745 0.148 1.00 0.00 N ATOM 769 CA GLU A 51 -4.120 17.040 1.291 1.00 0.00 C ATOM 770 C GLU A 51 -3.529 15.632 1.384 1.00 0.00 C ATOM 771 O GLU A 51 -2.901 15.283 2.382 1.00 0.00 O ATOM 772 CB GLU A 51 -5.647 16.990 1.217 1.00 0.00 C ATOM 773 CG GLU A 51 -6.260 16.853 2.612 1.00 0.00 C ATOM 774 CD GLU A 51 -6.744 15.423 2.860 1.00 0.00 C ATOM 775 OE1 GLU A 51 -7.540 14.941 2.025 1.00 0.00 O ATOM 776 OE2 GLU A 51 -6.308 14.845 3.878 1.00 0.00 O ATOM 0 H GLU A 51 -4.248 18.259 -0.409 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.851 17.586 2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.021 17.895 0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.957 16.150 0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.522 17.127 3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.095 17.546 2.716 1.00 0.00 H new ATOM 783 N GLN A 52 -3.752 14.860 0.330 1.00 0.00 N ATOM 784 CA GLN A 52 -3.250 13.498 0.280 1.00 0.00 C ATOM 785 C GLN A 52 -1.854 13.424 0.902 1.00 0.00 C ATOM 786 O GLN A 52 -1.599 12.585 1.765 1.00 0.00 O ATOM 787 CB GLN A 52 -3.238 12.970 -1.156 1.00 0.00 C ATOM 788 CG GLN A 52 -4.658 12.887 -1.721 1.00 0.00 C ATOM 789 CD GLN A 52 -5.487 11.844 -0.968 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.467 10.662 -1.270 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.215 12.346 0.026 1.00 0.00 N ATOM 0 H GLN A 52 -4.274 15.153 -0.496 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.920 12.863 0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.631 13.623 -1.783 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.774 11.984 -1.181 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.140 13.862 -1.648 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.618 12.630 -2.779 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.185 13.346 0.225 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.803 11.731 0.589 1.00 0.00 H new ATOM 800 N ARG A 53 -0.987 14.312 0.440 1.00 0.00 N ATOM 801 CA ARG A 53 0.377 14.358 0.941 1.00 0.00 C ATOM 802 C ARG A 53 0.384 14.708 2.430 1.00 0.00 C ATOM 803 O ARG A 53 0.938 13.970 3.243 1.00 0.00 O ATOM 804 CB ARG A 53 1.210 15.389 0.177 1.00 0.00 C ATOM 805 CG ARG A 53 2.702 15.065 0.269 1.00 0.00 C ATOM 806 CD ARG A 53 3.491 15.804 -0.814 1.00 0.00 C ATOM 807 NE ARG A 53 4.076 17.044 -0.258 1.00 0.00 N ATOM 808 CZ ARG A 53 3.422 18.210 -0.172 1.00 0.00 C ATOM 809 NH1 ARG A 53 2.157 18.303 -0.605 1.00 0.00 N ATOM 810 NH2 ARG A 53 4.032 19.284 0.348 1.00 0.00 N ATOM 0 H ARG A 53 -1.202 15.006 -0.276 1.00 0.00 H new ATOM 0 HA ARG A 53 0.818 13.372 0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.902 15.408 -0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.025 16.384 0.582 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.079 15.344 1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.852 13.990 0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.282 15.161 -1.202 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.836 16.045 -1.652 1.00 0.00 H new ATOM 0 HE ARG A 53 5.037 17.009 0.081 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.692 17.486 -1.000 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.659 19.191 -0.539 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.994 19.214 0.678 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.534 20.172 0.413 1.00 0.00 H new ATOM 824 N GLN A 54 -0.238 15.835 2.743 1.00 0.00 N ATOM 825 CA GLN A 54 -0.311 16.293 4.120 1.00 0.00 C ATOM 826 C GLN A 54 -0.741 15.147 5.038 1.00 0.00 C ATOM 827 O GLN A 54 -0.149 14.938 6.096 1.00 0.00 O ATOM 828 CB GLN A 54 -1.258 17.486 4.253 1.00 0.00 C ATOM 829 CG GLN A 54 -0.645 18.745 3.635 1.00 0.00 C ATOM 830 CD GLN A 54 0.758 19.000 4.192 1.00 0.00 C ATOM 831 OE1 GLN A 54 0.948 19.268 5.366 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.725 18.903 3.284 1.00 0.00 N ATOM 0 H GLN A 54 -0.696 16.445 2.066 1.00 0.00 H new ATOM 0 HA GLN A 54 0.682 16.625 4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.205 17.260 3.762 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.479 17.664 5.305 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.596 18.636 2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.284 19.604 3.841 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.495 18.675 2.317 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.696 19.057 3.555 1.00 0.00 H new ATOM 841 N TRP A 55 -1.768 14.433 4.600 1.00 0.00 N ATOM 842 CA TRP A 55 -2.284 13.314 5.369 1.00 0.00 C ATOM 843 C TRP A 55 -1.119 12.368 5.667 1.00 0.00 C ATOM 844 O TRP A 55 -0.825 12.085 6.827 1.00 0.00 O ATOM 845 CB TRP A 55 -3.438 12.629 4.634 1.00 0.00 C ATOM 846 CG TRP A 55 -4.177 11.585 5.472 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.272 11.756 6.225 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.829 10.191 5.612 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.653 10.579 6.838 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.748 9.598 6.454 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.772 9.456 5.047 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.702 8.243 6.805 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.740 8.104 5.408 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.658 7.492 6.254 1.00 0.00 C ATOM 0 H TRP A 55 -2.256 14.608 3.722 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.704 13.657 6.314 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.149 13.388 4.308 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.049 12.150 3.735 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.791 12.696 6.338 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.452 10.453 7.459 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.042 9.900 4.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.433 7.801 7.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -1.947 7.494 5.001 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.566 6.441 6.485 1.00 0.00 H new ATOM 865 N MET A 56 -0.488 11.904 4.598 1.00 0.00 N ATOM 866 CA MET A 56 0.638 10.995 4.730 1.00 0.00 C ATOM 867 C MET A 56 1.621 11.490 5.793 1.00 0.00 C ATOM 868 O MET A 56 2.010 10.736 6.684 1.00 0.00 O ATOM 869 CB MET A 56 1.358 10.875 3.386 1.00 0.00 C ATOM 870 CG MET A 56 2.478 9.835 3.454 1.00 0.00 C ATOM 871 SD MET A 56 4.046 10.642 3.725 1.00 0.00 S ATOM 872 CE MET A 56 4.219 11.511 2.175 1.00 0.00 C ATOM 0 H MET A 56 -0.735 12.140 3.637 1.00 0.00 H new ATOM 0 HA MET A 56 0.259 10.020 5.038 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.644 10.596 2.611 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.772 11.843 3.104 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.280 9.128 4.259 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.510 9.262 2.527 1.00 0.00 H new ATOM 0 HE1 MET A 56 5.270 11.740 2.002 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.845 10.886 1.364 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.647 12.438 2.212 1.00 0.00 H new ATOM 882 N TYR A 57 1.994 12.755 5.665 1.00 0.00 N ATOM 883 CA TYR A 57 2.923 13.360 6.604 1.00 0.00 C ATOM 884 C TYR A 57 2.401 13.253 8.038 1.00 0.00 C ATOM 885 O TYR A 57 3.153 13.446 8.993 1.00 0.00 O ATOM 886 CB TYR A 57 3.014 14.837 6.216 1.00 0.00 C ATOM 887 CG TYR A 57 3.970 15.118 5.055 1.00 0.00 C ATOM 888 CD1 TYR A 57 4.105 14.199 4.034 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.699 16.290 5.029 1.00 0.00 C ATOM 890 CE1 TYR A 57 5.005 14.463 2.942 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.599 16.554 3.937 1.00 0.00 C ATOM 892 CZ TYR A 57 5.707 15.628 2.947 1.00 0.00 C ATOM 893 OH TYR A 57 6.558 15.877 1.915 1.00 0.00 O ATOM 0 H TYR A 57 1.670 13.378 4.925 1.00 0.00 H new ATOM 0 HA TYR A 57 3.889 12.857 6.565 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.019 15.194 5.949 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.336 15.411 7.085 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.535 13.282 4.054 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.594 17.009 5.828 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.120 13.752 2.137 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.175 17.467 3.905 1.00 0.00 H new ATOM 0 HH TYR A 57 6.991 16.746 2.050 1.00 0.00 H new ATOM 903 N LYS A 58 1.117 12.946 8.145 1.00 0.00 N ATOM 904 CA LYS A 58 0.486 12.811 9.447 1.00 0.00 C ATOM 905 C LYS A 58 0.388 11.328 9.811 1.00 0.00 C ATOM 906 O LYS A 58 0.098 10.983 10.955 1.00 0.00 O ATOM 907 CB LYS A 58 -0.860 13.539 9.468 1.00 0.00 C ATOM 908 CG LYS A 58 -0.690 15.015 9.104 1.00 0.00 C ATOM 909 CD LYS A 58 -1.439 15.913 10.091 1.00 0.00 C ATOM 910 CE LYS A 58 -1.721 17.286 9.477 1.00 0.00 C ATOM 911 NZ LYS A 58 -0.784 18.297 10.016 1.00 0.00 N ATOM 0 H LYS A 58 0.496 12.787 7.351 1.00 0.00 H new ATOM 0 HA LYS A 58 1.093 13.289 10.216 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.545 13.064 8.766 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.308 13.454 10.458 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.369 15.273 9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.061 15.189 8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.378 15.440 10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.850 16.031 11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.624 17.233 8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.748 17.583 9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.989 19.223 9.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.896 18.359 11.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.193 18.020 9.790 1.00 0.00 H new ATOM 925 N ASN A 59 0.635 10.490 8.815 1.00 0.00 N ATOM 926 CA ASN A 59 0.579 9.052 9.015 1.00 0.00 C ATOM 927 C ASN A 59 1.953 8.446 8.725 1.00 0.00 C ATOM 928 O ASN A 59 2.054 7.417 8.059 1.00 0.00 O ATOM 929 CB ASN A 59 -0.433 8.403 8.068 1.00 0.00 C ATOM 930 CG ASN A 59 -1.843 8.944 8.318 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.787 8.206 8.548 1.00 0.00 O ATOM 932 ND2 ASN A 59 -1.931 10.270 8.260 1.00 0.00 N ATOM 0 H ASN A 59 0.874 10.780 7.867 1.00 0.00 H new ATOM 0 HA ASN A 59 0.279 8.867 10.046 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.144 8.594 7.035 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.425 7.322 8.206 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.829 10.729 8.413 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.100 10.828 8.063 1.00 0.00 H new ATOM 939 N VAL A 60 2.978 9.111 9.238 1.00 0.00 N ATOM 940 CA VAL A 60 4.342 8.652 9.043 1.00 0.00 C ATOM 941 C VAL A 60 5.221 9.178 10.179 1.00 0.00 C ATOM 942 O VAL A 60 5.407 10.386 10.316 1.00 0.00 O ATOM 943 CB VAL A 60 4.841 9.069 7.658 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.329 8.753 7.493 1.00 0.00 C ATOM 945 CG2 VAL A 60 4.015 8.407 6.554 1.00 0.00 C ATOM 0 H VAL A 60 2.890 9.965 9.789 1.00 0.00 H new ATOM 0 HA VAL A 60 4.387 7.563 9.076 1.00 0.00 H new ATOM 0 HB VAL A 60 4.715 10.148 7.569 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.658 9.059 6.500 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.901 9.293 8.247 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.489 7.682 7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.391 8.721 5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.093 7.323 6.641 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.971 8.704 6.653 1.00 0.00 H new ATOM 955 N PRO A 61 5.753 8.220 10.985 1.00 0.00 N ATOM 956 CA PRO A 61 6.608 8.575 12.105 1.00 0.00 C ATOM 957 C PRO A 61 7.999 8.990 11.622 1.00 0.00 C ATOM 958 O PRO A 61 8.331 8.818 10.451 1.00 0.00 O ATOM 959 CB PRO A 61 6.631 7.339 12.989 1.00 0.00 C ATOM 960 CG PRO A 61 6.171 6.188 12.109 1.00 0.00 C ATOM 961 CD PRO A 61 5.555 6.780 10.852 1.00 0.00 C ATOM 0 HA PRO A 61 6.239 9.438 12.659 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.632 7.156 13.379 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.972 7.461 13.848 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.012 5.542 11.855 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.444 5.571 12.637 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.039 6.395 9.955 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.497 6.531 10.775 1.00 0.00 H new ATOM 969 N PRO A 62 8.797 9.544 12.575 1.00 0.00 N ATOM 970 CA PRO A 62 10.144 9.985 12.259 1.00 0.00 C ATOM 971 C PRO A 62 11.091 8.792 12.111 1.00 0.00 C ATOM 972 O PRO A 62 12.072 8.862 11.372 1.00 0.00 O ATOM 973 CB PRO A 62 10.532 10.912 13.400 1.00 0.00 C ATOM 974 CG PRO A 62 9.578 10.594 14.539 1.00 0.00 C ATOM 975 CD PRO A 62 8.437 9.763 13.973 1.00 0.00 C ATOM 0 HA PRO A 62 10.203 10.505 11.303 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.567 10.749 13.701 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.448 11.957 13.100 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.094 10.047 15.328 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.197 11.512 14.985 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.332 8.819 14.507 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.485 10.286 14.060 1.00 0.00 H new ATOM 983 N GLU A 63 10.764 7.725 12.825 1.00 0.00 N ATOM 984 CA GLU A 63 11.573 6.519 12.781 1.00 0.00 C ATOM 985 C GLU A 63 11.413 5.821 11.429 1.00 0.00 C ATOM 986 O GLU A 63 12.239 4.991 11.054 1.00 0.00 O ATOM 987 CB GLU A 63 11.213 5.576 13.931 1.00 0.00 C ATOM 988 CG GLU A 63 10.067 4.642 13.536 1.00 0.00 C ATOM 989 CD GLU A 63 9.481 3.944 14.765 1.00 0.00 C ATOM 990 OE1 GLU A 63 8.619 4.571 15.417 1.00 0.00 O ATOM 991 OE2 GLU A 63 9.908 2.798 15.023 1.00 0.00 O ATOM 0 H GLU A 63 9.950 7.671 13.437 1.00 0.00 H new ATOM 0 HA GLU A 63 12.619 6.802 12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.087 4.987 14.210 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.927 6.158 14.807 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.287 5.211 13.030 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.428 3.897 12.828 1.00 0.00 H new ATOM 998 N LYS A 64 10.345 6.184 10.735 1.00 0.00 N ATOM 999 CA LYS A 64 10.066 5.603 9.432 1.00 0.00 C ATOM 1000 C LYS A 64 10.508 6.577 8.339 1.00 0.00 C ATOM 1001 O LYS A 64 10.895 6.159 7.249 1.00 0.00 O ATOM 1002 CB LYS A 64 8.596 5.191 9.332 1.00 0.00 C ATOM 1003 CG LYS A 64 8.262 4.098 10.349 1.00 0.00 C ATOM 1004 CD LYS A 64 8.874 2.758 9.934 1.00 0.00 C ATOM 1005 CE LYS A 64 8.054 1.588 10.480 1.00 0.00 C ATOM 1006 NZ LYS A 64 8.919 0.407 10.701 1.00 0.00 N ATOM 0 H LYS A 64 9.662 6.873 11.050 1.00 0.00 H new ATOM 0 HA LYS A 64 10.639 4.686 9.293 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.959 6.059 9.503 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.383 4.833 8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.636 4.384 11.332 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.180 3.996 10.437 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.922 2.697 8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.898 2.692 10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.576 1.877 11.416 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.257 1.337 9.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.347 -0.378 11.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.355 0.123 9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.664 0.646 11.386 1.00 0.00 H new ATOM 1020 N LYS A 65 10.434 7.859 8.668 1.00 0.00 N ATOM 1021 CA LYS A 65 10.822 8.896 7.727 1.00 0.00 C ATOM 1022 C LYS A 65 12.073 8.450 6.969 1.00 0.00 C ATOM 1023 O LYS A 65 13.113 8.196 7.575 1.00 0.00 O ATOM 1024 CB LYS A 65 10.983 10.237 8.446 1.00 0.00 C ATOM 1025 CG LYS A 65 9.653 10.989 8.509 1.00 0.00 C ATOM 1026 CD LYS A 65 9.809 12.319 9.249 1.00 0.00 C ATOM 1027 CE LYS A 65 8.564 12.633 10.082 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.771 13.862 10.880 1.00 0.00 N ATOM 0 H LYS A 65 10.111 8.203 9.573 1.00 0.00 H new ATOM 0 HA LYS A 65 10.039 9.050 6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.358 10.069 9.456 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.724 10.845 7.927 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.286 11.172 7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.907 10.374 9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.684 12.278 9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.982 13.121 8.531 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.703 12.759 9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.341 11.796 10.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.917 14.061 11.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.580 13.729 11.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.961 14.662 10.243 1.00 0.00 H new ATOM 1042 N PRO A 66 11.928 8.365 5.619 1.00 0.00 N ATOM 1043 CA PRO A 66 13.034 7.954 4.772 1.00 0.00 C ATOM 1044 C PRO A 66 14.061 9.079 4.626 1.00 0.00 C ATOM 1045 O PRO A 66 13.823 10.203 5.065 1.00 0.00 O ATOM 1046 CB PRO A 66 12.393 7.560 3.451 1.00 0.00 C ATOM 1047 CG PRO A 66 11.015 8.202 3.450 1.00 0.00 C ATOM 1048 CD PRO A 66 10.712 8.658 4.867 1.00 0.00 C ATOM 0 HA PRO A 66 13.597 7.120 5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.988 7.911 2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.319 6.476 3.360 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.989 9.048 2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.263 7.491 3.109 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.474 9.721 4.898 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.854 8.127 5.279 1.00 0.00 H new ATOM 1094 N ASN A 70 10.784 15.500 5.981 1.00 0.00 N ATOM 1095 CA ASN A 70 9.431 15.044 5.710 1.00 0.00 C ATOM 1096 C ASN A 70 9.487 13.695 4.990 1.00 0.00 C ATOM 1097 O ASN A 70 10.485 13.370 4.350 1.00 0.00 O ATOM 1098 CB ASN A 70 8.688 16.031 4.808 1.00 0.00 C ATOM 1099 CG ASN A 70 8.727 17.444 5.393 1.00 0.00 C ATOM 1100 OD1 ASN A 70 8.527 17.660 6.577 1.00 0.00 O ATOM 1101 ND2 ASN A 70 8.994 18.392 4.499 1.00 0.00 N ATOM 0 HA ASN A 70 8.906 14.960 6.662 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.138 16.032 3.815 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.653 15.711 4.688 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.041 19.369 4.790 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.151 18.142 3.523 1.00 0.00 H new ATOM 1108 N PRO A 71 8.373 12.926 5.123 1.00 0.00 N ATOM 1109 CA PRO A 71 8.285 11.620 4.493 1.00 0.00 C ATOM 1110 C PRO A 71 8.056 11.752 2.986 1.00 0.00 C ATOM 1111 O PRO A 71 7.241 12.563 2.548 1.00 0.00 O ATOM 1112 CB PRO A 71 7.144 10.914 5.208 1.00 0.00 C ATOM 1113 CG PRO A 71 6.337 12.009 5.887 1.00 0.00 C ATOM 1114 CD PRO A 71 7.172 13.279 5.874 1.00 0.00 C ATOM 0 HA PRO A 71 9.208 11.047 4.582 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.528 10.355 4.504 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.523 10.199 5.938 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.393 12.167 5.365 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.092 11.724 6.910 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.636 14.101 5.399 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.418 13.601 6.886 1.00 0.00 H new ATOM 1122 N LEU A 72 8.789 10.944 2.235 1.00 0.00 N ATOM 1123 CA LEU A 72 8.676 10.961 0.787 1.00 0.00 C ATOM 1124 C LEU A 72 8.111 9.622 0.308 1.00 0.00 C ATOM 1125 O LEU A 72 8.195 8.620 1.016 1.00 0.00 O ATOM 1126 CB LEU A 72 10.018 11.325 0.149 1.00 0.00 C ATOM 1127 CG LEU A 72 10.576 12.705 0.503 1.00 0.00 C ATOM 1128 CD1 LEU A 72 12.064 12.800 0.157 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.761 13.814 -0.165 1.00 0.00 C ATOM 0 H LEU A 72 9.464 10.273 2.602 1.00 0.00 H new ATOM 0 HA LEU A 72 7.977 11.735 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.752 10.573 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.911 11.265 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 72 10.486 12.844 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.436 13.791 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.617 12.046 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.201 12.631 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.179 14.784 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.797 13.690 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.726 13.759 0.173 1.00 0.00 H new ATOM 1141 N PRO A 73 7.533 9.649 -0.922 1.00 0.00 N ATOM 1142 CA PRO A 73 6.954 8.450 -1.504 1.00 0.00 C ATOM 1143 C PRO A 73 8.045 7.499 -2.000 1.00 0.00 C ATOM 1144 O PRO A 73 9.216 7.872 -2.066 1.00 0.00 O ATOM 1145 CB PRO A 73 6.050 8.950 -2.619 1.00 0.00 C ATOM 1146 CG PRO A 73 6.510 10.366 -2.925 1.00 0.00 C ATOM 1147 CD PRO A 73 7.415 10.817 -1.790 1.00 0.00 C ATOM 0 HA PRO A 73 6.386 7.864 -0.781 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.129 8.314 -3.501 1.00 0.00 H new ATOM 0 HB3 PRO A 73 5.005 8.937 -2.310 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.044 10.397 -3.875 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.654 11.034 -3.019 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.389 11.133 -2.163 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.987 11.665 -1.256 1.00 0.00 H new ATOM 1155 N PRO A 74 7.612 6.257 -2.344 1.00 0.00 N ATOM 1156 CA PRO A 74 6.209 5.896 -2.236 1.00 0.00 C ATOM 1157 C PRO A 74 5.813 5.667 -0.776 1.00 0.00 C ATOM 1158 O PRO A 74 6.671 5.435 0.075 1.00 0.00 O ATOM 1159 CB PRO A 74 6.054 4.652 -3.095 1.00 0.00 C ATOM 1160 CG PRO A 74 7.457 4.095 -3.277 1.00 0.00 C ATOM 1161 CD PRO A 74 8.444 5.166 -2.845 1.00 0.00 C ATOM 0 HA PRO A 74 5.544 6.687 -2.582 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.404 3.923 -2.612 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.602 4.895 -4.057 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.589 3.192 -2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.626 3.818 -4.318 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.118 4.795 -2.073 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.065 5.492 -3.680 1.00 0.00 H new ATOM 1169 N GLN A 75 4.513 5.740 -0.530 1.00 0.00 N ATOM 1170 CA GLN A 75 3.993 5.543 0.812 1.00 0.00 C ATOM 1171 C GLN A 75 2.696 4.732 0.766 1.00 0.00 C ATOM 1172 O GLN A 75 1.611 5.278 0.957 1.00 0.00 O ATOM 1173 CB GLN A 75 3.776 6.883 1.518 1.00 0.00 C ATOM 1174 CG GLN A 75 5.111 7.573 1.805 1.00 0.00 C ATOM 1175 CD GLN A 75 5.527 7.376 3.265 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.731 7.036 4.124 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.817 7.608 3.495 1.00 0.00 N ATOM 0 H GLN A 75 3.804 5.933 -1.238 1.00 0.00 H new ATOM 0 HA GLN A 75 4.730 4.981 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.155 7.529 0.898 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.237 6.723 2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.881 7.172 1.146 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.028 8.638 1.587 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.429 7.890 2.729 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.194 7.504 4.437 1.00 0.00 H new ATOM 1186 N ILE A 76 2.852 3.441 0.510 1.00 0.00 N ATOM 1187 CA ILE A 76 1.707 2.550 0.435 1.00 0.00 C ATOM 1188 C ILE A 76 0.846 2.728 1.687 1.00 0.00 C ATOM 1189 O ILE A 76 1.370 2.893 2.788 1.00 0.00 O ATOM 1190 CB ILE A 76 2.165 1.108 0.204 1.00 0.00 C ATOM 1191 CG1 ILE A 76 2.928 0.981 -1.116 1.00 0.00 C ATOM 1192 CG2 ILE A 76 0.984 0.139 0.279 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.395 0.621 -0.869 1.00 0.00 C ATOM 0 H ILE A 76 3.754 2.991 0.352 1.00 0.00 H new ATOM 0 HA ILE A 76 1.082 2.803 -0.421 1.00 0.00 H new ATOM 0 HB ILE A 76 2.855 0.836 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.462 0.216 -1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.868 1.920 -1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.337 -0.879 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.521 0.205 1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.251 0.399 -0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.915 0.537 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.864 1.400 -0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.452 -0.330 -0.340 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.462 2.688 1.477 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.401 2.842 2.575 1.00 0.00 C ATOM 1207 C PHE A 77 -2.678 2.039 2.321 1.00 0.00 C ATOM 1208 O PHE A 77 -3.463 2.377 1.436 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.755 4.329 2.655 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.767 5.160 3.476 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.633 4.934 4.810 1.00 0.00 C ATOM 1212 CD2 PHE A 77 -0.024 6.125 2.871 1.00 0.00 C ATOM 1213 CE1 PHE A 77 0.284 5.706 5.572 1.00 0.00 C ATOM 1214 CE2 PHE A 77 0.893 6.897 3.633 1.00 0.00 C ATOM 1215 CZ PHE A 77 1.028 6.671 4.967 1.00 0.00 C ATOM 0 H PHE A 77 -0.893 2.551 0.563 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.954 2.479 3.501 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.804 4.735 1.645 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.750 4.432 3.089 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.224 4.168 5.290 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.131 6.304 1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.391 5.527 6.632 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.483 7.664 3.153 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.726 7.258 5.546 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.848 0.991 3.113 1.00 0.00 N ATOM 1226 CA ASN A 78 -4.016 0.137 2.985 1.00 0.00 C ATOM 1227 C ASN A 78 -5.168 0.731 3.799 1.00 0.00 C ATOM 1228 O ASN A 78 -5.236 0.543 5.013 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.733 -1.268 3.522 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.886 -2.220 3.200 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -6.043 -1.953 3.480 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.508 -3.344 2.597 1.00 0.00 N ATOM 0 H ASN A 78 -2.196 0.714 3.846 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.273 0.074 1.928 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.810 -1.649 3.086 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.582 -1.225 4.601 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.204 -4.044 2.341 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.522 -3.506 2.391 1.00 0.00 H new ATOM 1239 N GLY A 79 -6.044 1.435 3.097 1.00 0.00 N ATOM 1240 CA GLY A 79 -7.189 2.057 3.739 1.00 0.00 C ATOM 1241 C GLY A 79 -6.762 3.273 4.564 1.00 0.00 C ATOM 1242 O GLY A 79 -6.694 4.386 4.045 1.00 0.00 O ATOM 0 H GLY A 79 -5.984 1.588 2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.913 2.362 2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.687 1.333 4.383 1.00 0.00 H new ATOM 1246 N ASP A 80 -6.485 3.019 5.834 1.00 0.00 N ATOM 1247 CA ASP A 80 -6.066 4.079 6.735 1.00 0.00 C ATOM 1248 C ASP A 80 -4.935 3.566 7.628 1.00 0.00 C ATOM 1249 O ASP A 80 -4.596 4.195 8.630 1.00 0.00 O ATOM 1250 CB ASP A 80 -7.219 4.521 7.639 1.00 0.00 C ATOM 1251 CG ASP A 80 -7.808 3.418 8.521 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -8.719 2.721 8.025 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -7.334 3.297 9.671 1.00 0.00 O ATOM 0 H ASP A 80 -6.542 2.094 6.261 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.737 4.924 6.131 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.869 5.330 8.280 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.014 4.930 7.015 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.382 2.429 7.234 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.295 1.824 7.986 1.00 0.00 C ATOM 1260 C ARG A 81 -1.969 2.014 7.247 1.00 0.00 C ATOM 1261 O ARG A 81 -1.858 1.683 6.068 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.541 0.330 8.203 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.383 -0.042 9.679 1.00 0.00 C ATOM 1264 CD ARG A 81 -3.328 -1.561 9.859 1.00 0.00 C ATOM 1265 NE ARG A 81 -4.342 -1.991 10.848 1.00 0.00 N ATOM 1266 CZ ARG A 81 -4.405 -3.222 11.372 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -3.515 -4.154 11.004 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -5.359 -3.523 12.263 1.00 0.00 N ATOM 0 H ARG A 81 -4.666 1.910 6.403 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.248 2.317 8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.544 0.070 7.864 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.841 -0.249 7.601 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.473 0.408 10.076 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.216 0.366 10.252 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.507 -2.055 8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.334 -1.860 10.191 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.036 -1.307 11.149 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.789 -3.926 10.325 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.563 -5.091 11.403 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.038 -2.815 12.542 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.407 -4.461 12.662 1.00 0.00 H new ATOM 1282 N TYR A 82 -0.995 2.545 7.972 1.00 0.00 N ATOM 1283 CA TYR A 82 0.319 2.783 7.401 1.00 0.00 C ATOM 1284 C TYR A 82 1.011 1.464 7.049 1.00 0.00 C ATOM 1285 O TYR A 82 1.481 0.751 7.934 1.00 0.00 O ATOM 1286 CB TYR A 82 1.128 3.495 8.486 1.00 0.00 C ATOM 1287 CG TYR A 82 2.524 3.932 8.036 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.766 4.205 6.705 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.541 4.051 8.961 1.00 0.00 C ATOM 1290 CE1 TYR A 82 4.080 4.616 6.282 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.855 4.461 8.538 1.00 0.00 C ATOM 1292 CZ TYR A 82 5.060 4.723 7.219 1.00 0.00 C ATOM 1293 OH TYR A 82 6.300 5.111 6.819 1.00 0.00 O ATOM 0 H TYR A 82 -1.090 2.817 8.950 1.00 0.00 H new ATOM 0 HA TYR A 82 0.239 3.370 6.486 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.574 4.372 8.821 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.226 2.832 9.346 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.970 4.110 5.981 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.351 3.837 10.002 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.283 4.834 5.244 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.660 4.558 9.252 1.00 0.00 H new ATOM 0 HH TYR A 82 6.223 5.697 6.038 1.00 0.00 H new ATOM 1303 N CYS A 83 1.050 1.180 5.756 1.00 0.00 N ATOM 1304 CA CYS A 83 1.676 -0.041 5.276 1.00 0.00 C ATOM 1305 C CYS A 83 3.189 0.092 5.459 1.00 0.00 C ATOM 1306 O CYS A 83 3.762 -0.500 6.372 1.00 0.00 O ATOM 1307 CB CYS A 83 1.300 -0.336 3.823 1.00 0.00 C ATOM 1308 SG CYS A 83 -0.338 -1.150 3.753 1.00 0.00 S ATOM 0 H CYS A 83 0.658 1.774 5.025 1.00 0.00 H new ATOM 0 HA CYS A 83 1.314 -0.891 5.855 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.280 0.590 3.249 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.054 -0.978 3.367 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.583 -1.528 2.533 1.00 0.00 H new ATOM 1314 N GLY A 84 3.793 0.872 4.575 1.00 0.00 N ATOM 1315 CA GLY A 84 5.229 1.090 4.627 1.00 0.00 C ATOM 1316 C GLY A 84 5.746 1.656 3.303 1.00 0.00 C ATOM 1317 O GLY A 84 5.183 1.382 2.244 1.00 0.00 O ATOM 0 H GLY A 84 3.314 1.361 3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.467 1.778 5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.735 0.150 4.847 1.00 0.00 H new ATOM 1321 N ASP A 85 6.812 2.436 3.405 1.00 0.00 N ATOM 1322 CA ASP A 85 7.411 3.043 2.229 1.00 0.00 C ATOM 1323 C ASP A 85 8.069 1.955 1.378 1.00 0.00 C ATOM 1324 O ASP A 85 8.010 0.775 1.719 1.00 0.00 O ATOM 1325 CB ASP A 85 8.491 4.054 2.621 1.00 0.00 C ATOM 1326 CG ASP A 85 9.796 3.441 3.132 1.00 0.00 C ATOM 1327 OD1 ASP A 85 9.723 2.313 3.664 1.00 0.00 O ATOM 1328 OD2 ASP A 85 10.837 4.115 2.978 1.00 0.00 O ATOM 0 H ASP A 85 7.276 2.662 4.285 1.00 0.00 H new ATOM 0 HA ASP A 85 6.623 3.553 1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.715 4.678 1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.089 4.711 3.392 1.00 0.00 H new ATOM 1333 N TYR A 86 8.681 2.392 0.287 1.00 0.00 N ATOM 1334 CA TYR A 86 9.349 1.470 -0.616 1.00 0.00 C ATOM 1335 C TYR A 86 10.271 0.521 0.153 1.00 0.00 C ATOM 1336 O TYR A 86 10.413 -0.645 -0.214 1.00 0.00 O ATOM 1337 CB TYR A 86 10.195 2.335 -1.553 1.00 0.00 C ATOM 1338 CG TYR A 86 11.248 1.553 -2.340 1.00 0.00 C ATOM 1339 CD1 TYR A 86 10.921 0.982 -3.552 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.527 1.420 -1.837 1.00 0.00 C ATOM 1341 CE1 TYR A 86 11.912 0.246 -4.293 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.519 0.685 -2.578 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.162 0.134 -3.769 1.00 0.00 C ATOM 1344 OH TYR A 86 14.099 -0.561 -4.469 1.00 0.00 O ATOM 0 H TYR A 86 8.728 3.372 0.008 1.00 0.00 H new ATOM 0 HA TYR A 86 8.620 0.863 -1.152 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.535 2.844 -2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.693 3.107 -0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.921 1.087 -3.946 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.783 1.867 -0.888 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.668 -0.207 -5.243 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.523 0.574 -2.197 1.00 0.00 H new ATOM 0 HH TYR A 86 14.165 -1.472 -4.113 1.00 0.00 H new ATOM 1354 N ASP A 87 10.873 1.055 1.205 1.00 0.00 N ATOM 1355 CA ASP A 87 11.776 0.270 2.029 1.00 0.00 C ATOM 1356 C ASP A 87 11.048 -0.977 2.532 1.00 0.00 C ATOM 1357 O ASP A 87 11.552 -2.091 2.398 1.00 0.00 O ATOM 1358 CB ASP A 87 12.244 1.068 3.248 1.00 0.00 C ATOM 1359 CG ASP A 87 13.760 1.124 3.442 1.00 0.00 C ATOM 1360 OD1 ASP A 87 14.464 1.142 2.409 1.00 0.00 O ATOM 1361 OD2 ASP A 87 14.182 1.149 4.618 1.00 0.00 O ATOM 0 H ASP A 87 10.753 2.022 1.506 1.00 0.00 H new ATOM 0 HA ASP A 87 12.639 0.001 1.420 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.866 2.087 3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.794 0.635 4.141 1.00 0.00 H new ATOM 1366 N SER A 88 9.873 -0.749 3.100 1.00 0.00 N ATOM 1367 CA SER A 88 9.070 -1.841 3.623 1.00 0.00 C ATOM 1368 C SER A 88 8.751 -2.838 2.507 1.00 0.00 C ATOM 1369 O SER A 88 9.117 -4.009 2.593 1.00 0.00 O ATOM 1370 CB SER A 88 7.778 -1.321 4.256 1.00 0.00 C ATOM 1371 OG SER A 88 7.813 -1.391 5.679 1.00 0.00 O ATOM 0 H SER A 88 9.458 0.176 3.209 1.00 0.00 H new ATOM 0 HA SER A 88 9.645 -2.346 4.399 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.614 -0.288 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.934 -1.902 3.885 1.00 0.00 H new ATOM 0 HG SER A 88 6.921 -1.201 6.038 1.00 0.00 H new ATOM 1377 N PHE A 89 8.072 -2.336 1.486 1.00 0.00 N ATOM 1378 CA PHE A 89 7.699 -3.168 0.354 1.00 0.00 C ATOM 1379 C PHE A 89 8.876 -4.034 -0.100 1.00 0.00 C ATOM 1380 O PHE A 89 8.785 -5.261 -0.098 1.00 0.00 O ATOM 1381 CB PHE A 89 7.306 -2.224 -0.784 1.00 0.00 C ATOM 1382 CG PHE A 89 6.884 -2.940 -2.069 1.00 0.00 C ATOM 1383 CD1 PHE A 89 5.661 -3.529 -2.148 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.733 -2.988 -3.131 1.00 0.00 C ATOM 1385 CE1 PHE A 89 5.269 -4.194 -3.340 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.341 -3.653 -4.323 1.00 0.00 C ATOM 1387 CZ PHE A 89 6.118 -4.242 -4.403 1.00 0.00 C ATOM 0 H PHE A 89 7.770 -1.364 1.419 1.00 0.00 H new ATOM 0 HA PHE A 89 6.880 -3.832 0.633 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.486 -1.588 -0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.148 -1.568 -1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.988 -3.491 -1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.705 -2.521 -3.068 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.298 -4.662 -3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.015 -3.691 -5.166 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.820 -4.748 -5.310 1.00 0.00 H new ATOM 1397 N PHE A 90 9.953 -3.362 -0.479 1.00 0.00 N ATOM 1398 CA PHE A 90 11.145 -4.055 -0.935 1.00 0.00 C ATOM 1399 C PHE A 90 11.575 -5.126 0.069 1.00 0.00 C ATOM 1400 O PHE A 90 11.806 -6.275 -0.305 1.00 0.00 O ATOM 1401 CB PHE A 90 12.255 -3.008 -1.051 1.00 0.00 C ATOM 1402 CG PHE A 90 13.314 -3.337 -2.105 1.00 0.00 C ATOM 1403 CD1 PHE A 90 14.348 -4.164 -1.795 1.00 0.00 C ATOM 1404 CD2 PHE A 90 13.221 -2.802 -3.352 1.00 0.00 C ATOM 1405 CE1 PHE A 90 15.331 -4.469 -2.773 1.00 0.00 C ATOM 1406 CE2 PHE A 90 14.204 -3.108 -4.330 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.238 -3.935 -4.020 1.00 0.00 C ATOM 0 H PHE A 90 10.025 -2.345 -0.479 1.00 0.00 H new ATOM 0 HA PHE A 90 10.947 -4.546 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.807 -2.044 -1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.743 -2.902 -0.082 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.421 -4.589 -0.805 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.400 -2.145 -3.598 1.00 0.00 H new ATOM 0 HE1 PHE A 90 16.153 -5.125 -2.526 1.00 0.00 H new ATOM 0 HE2 PHE A 90 14.130 -2.684 -5.320 1.00 0.00 H new ATOM 0 HZ PHE A 90 15.985 -4.168 -4.764 1.00 0.00 H new ATOM 1417 N GLU A 91 11.669 -4.712 1.324 1.00 0.00 N ATOM 1418 CA GLU A 91 12.066 -5.622 2.385 1.00 0.00 C ATOM 1419 C GLU A 91 11.111 -6.816 2.445 1.00 0.00 C ATOM 1420 O GLU A 91 11.426 -7.837 3.055 1.00 0.00 O ATOM 1421 CB GLU A 91 12.127 -4.900 3.732 1.00 0.00 C ATOM 1422 CG GLU A 91 13.567 -4.811 4.242 1.00 0.00 C ATOM 1423 CD GLU A 91 13.600 -4.537 5.747 1.00 0.00 C ATOM 1424 OE1 GLU A 91 13.010 -5.355 6.486 1.00 0.00 O ATOM 1425 OE2 GLU A 91 14.214 -3.516 6.125 1.00 0.00 O ATOM 0 H GLU A 91 11.477 -3.758 1.630 1.00 0.00 H new ATOM 0 HA GLU A 91 13.067 -5.993 2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.711 -3.898 3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.512 -5.428 4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.091 -5.742 4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.096 -4.018 3.713 1.00 0.00 H new ATOM 1432 N SER A 92 9.964 -6.649 1.805 1.00 0.00 N ATOM 1433 CA SER A 92 8.961 -7.700 1.778 1.00 0.00 C ATOM 1434 C SER A 92 9.116 -8.539 0.508 1.00 0.00 C ATOM 1435 O SER A 92 9.071 -9.767 0.562 1.00 0.00 O ATOM 1436 CB SER A 92 7.549 -7.116 1.859 1.00 0.00 C ATOM 1437 OG SER A 92 6.735 -7.534 0.767 1.00 0.00 O ATOM 0 H SER A 92 9.706 -5.801 1.300 1.00 0.00 H new ATOM 0 HA SER A 92 9.112 -8.339 2.648 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.083 -7.422 2.796 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.607 -6.028 1.872 1.00 0.00 H new ATOM 0 HG SER A 92 6.741 -8.512 0.710 1.00 0.00 H new ATOM 1443 N LYS A 93 9.296 -7.843 -0.605 1.00 0.00 N ATOM 1444 CA LYS A 93 9.458 -8.508 -1.886 1.00 0.00 C ATOM 1445 C LYS A 93 10.471 -9.646 -1.740 1.00 0.00 C ATOM 1446 O LYS A 93 10.280 -10.727 -2.295 1.00 0.00 O ATOM 1447 CB LYS A 93 9.823 -7.496 -2.973 1.00 0.00 C ATOM 1448 CG LYS A 93 8.567 -6.854 -3.568 1.00 0.00 C ATOM 1449 CD LYS A 93 8.890 -6.127 -4.875 1.00 0.00 C ATOM 1450 CE LYS A 93 9.937 -5.034 -4.651 1.00 0.00 C ATOM 1451 NZ LYS A 93 11.292 -5.624 -4.567 1.00 0.00 N ATOM 0 H LYS A 93 9.333 -6.824 -0.646 1.00 0.00 H new ATOM 0 HA LYS A 93 8.517 -8.957 -2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.467 -6.723 -2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.391 -7.992 -3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.814 -7.621 -3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.140 -6.151 -2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.257 -6.842 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.981 -5.686 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.898 -4.312 -5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.713 -4.490 -3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.588 -5.674 -3.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.280 -6.581 -4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.962 -5.032 -5.098 1.00 0.00 H new ATOM 1465 N GLU A 94 11.526 -9.363 -0.991 1.00 0.00 N ATOM 1466 CA GLU A 94 12.569 -10.349 -0.765 1.00 0.00 C ATOM 1467 C GLU A 94 11.986 -11.596 -0.096 1.00 0.00 C ATOM 1468 O GLU A 94 12.448 -12.709 -0.341 1.00 0.00 O ATOM 1469 CB GLU A 94 13.708 -9.761 0.071 1.00 0.00 C ATOM 1470 CG GLU A 94 14.532 -8.766 -0.749 1.00 0.00 C ATOM 1471 CD GLU A 94 15.975 -8.701 -0.243 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.144 -8.738 0.995 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.875 -8.615 -1.106 1.00 0.00 O ATOM 0 H GLU A 94 11.681 -8.465 -0.533 1.00 0.00 H new ATOM 0 HA GLU A 94 12.983 -10.638 -1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.299 -9.263 0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.352 -10.564 0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.524 -9.059 -1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.078 -7.777 -0.691 1.00 0.00 H new ATOM 1480 N SER A 95 10.980 -11.366 0.735 1.00 0.00 N ATOM 1481 CA SER A 95 10.329 -12.457 1.440 1.00 0.00 C ATOM 1482 C SER A 95 9.013 -12.817 0.748 1.00 0.00 C ATOM 1483 O SER A 95 8.317 -13.739 1.170 1.00 0.00 O ATOM 1484 CB SER A 95 10.075 -12.092 2.904 1.00 0.00 C ATOM 1485 OG SER A 95 9.594 -13.203 3.656 1.00 0.00 O ATOM 0 H SER A 95 10.600 -10.441 0.936 1.00 0.00 H new ATOM 0 HA SER A 95 10.992 -13.322 1.418 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.998 -11.724 3.351 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.350 -11.279 2.954 1.00 0.00 H new ATOM 0 HG SER A 95 9.063 -13.786 3.075 1.00 0.00 H new ATOM 1491 N ASN A 96 8.712 -12.070 -0.305 1.00 0.00 N ATOM 1492 CA ASN A 96 7.492 -12.299 -1.060 1.00 0.00 C ATOM 1493 C ASN A 96 6.288 -12.189 -0.122 1.00 0.00 C ATOM 1494 O ASN A 96 5.391 -13.030 -0.156 1.00 0.00 O ATOM 1495 CB ASN A 96 7.482 -13.698 -1.680 1.00 0.00 C ATOM 1496 CG ASN A 96 6.916 -13.664 -3.101 1.00 0.00 C ATOM 1497 OD1 ASN A 96 6.477 -12.639 -3.598 1.00 0.00 O ATOM 1498 ND2 ASN A 96 6.950 -14.838 -3.725 1.00 0.00 N ATOM 0 H ASN A 96 9.292 -11.306 -0.653 1.00 0.00 H new ATOM 0 HA ASN A 96 7.441 -11.553 -1.853 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.495 -14.099 -1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.885 -14.369 -1.063 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.595 -14.920 -4.678 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.331 -15.657 -3.251 1.00 0.00 H new ATOM 1505 N THR A 97 6.307 -11.145 0.694 1.00 0.00 N ATOM 1506 CA THR A 97 5.228 -10.914 1.639 1.00 0.00 C ATOM 1507 C THR A 97 4.497 -9.612 1.306 1.00 0.00 C ATOM 1508 O THR A 97 3.656 -9.153 2.078 1.00 0.00 O ATOM 1509 CB THR A 97 5.823 -10.933 3.049 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.089 -10.297 2.900 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.170 -12.348 3.518 1.00 0.00 C ATOM 0 H THR A 97 7.053 -10.450 0.720 1.00 0.00 H new ATOM 0 HA THR A 97 4.474 -11.698 1.578 1.00 0.00 H new ATOM 0 HB THR A 97 5.118 -10.481 3.747 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.543 -10.265 3.768 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.588 -12.306 4.524 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.268 -12.960 3.526 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.901 -12.787 2.839 1.00 0.00 H new ATOM 1519 N VAL A 98 4.843 -9.054 0.156 1.00 0.00 N ATOM 1520 CA VAL A 98 4.230 -7.814 -0.289 1.00 0.00 C ATOM 1521 C VAL A 98 2.730 -7.855 0.012 1.00 0.00 C ATOM 1522 O VAL A 98 2.168 -6.883 0.514 1.00 0.00 O ATOM 1523 CB VAL A 98 4.536 -7.580 -1.770 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.399 -6.817 -2.451 1.00 0.00 C ATOM 1525 CG2 VAL A 98 5.869 -6.850 -1.945 1.00 0.00 C ATOM 0 H VAL A 98 5.540 -9.438 -0.482 1.00 0.00 H new ATOM 0 HA VAL A 98 4.648 -6.966 0.253 1.00 0.00 H new ATOM 0 HB VAL A 98 4.621 -8.554 -2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.642 -6.664 -3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.476 -7.392 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.267 -5.850 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.063 -6.696 -3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.824 -5.885 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.671 -7.448 -1.513 1.00 0.00 H new ATOM 1535 N PHE A 99 2.126 -8.990 -0.306 1.00 0.00 N ATOM 1536 CA PHE A 99 0.703 -9.171 -0.076 1.00 0.00 C ATOM 1537 C PHE A 99 0.353 -8.946 1.396 1.00 0.00 C ATOM 1538 O PHE A 99 -0.514 -8.134 1.715 1.00 0.00 O ATOM 1539 CB PHE A 99 0.369 -10.615 -0.453 1.00 0.00 C ATOM 1540 CG PHE A 99 0.322 -10.870 -1.961 1.00 0.00 C ATOM 1541 CD1 PHE A 99 1.465 -11.166 -2.636 1.00 0.00 C ATOM 1542 CD2 PHE A 99 -0.862 -10.801 -2.626 1.00 0.00 C ATOM 1543 CE1 PHE A 99 1.422 -11.402 -4.036 1.00 0.00 C ATOM 1544 CE2 PHE A 99 -0.905 -11.038 -4.026 1.00 0.00 C ATOM 1545 CZ PHE A 99 0.238 -11.333 -4.701 1.00 0.00 C ATOM 0 H PHE A 99 2.596 -9.794 -0.721 1.00 0.00 H new ATOM 0 HA PHE A 99 0.136 -8.454 -0.670 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.111 -11.277 -0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.596 -10.879 -0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.405 -11.222 -2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.770 -10.566 -2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.330 -11.636 -4.572 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.845 -10.984 -4.554 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.205 -11.513 -5.765 1.00 0.00 H new ATOM 1555 N SER A 100 1.045 -9.680 2.255 1.00 0.00 N ATOM 1556 CA SER A 100 0.818 -9.571 3.686 1.00 0.00 C ATOM 1557 C SER A 100 1.260 -8.193 4.182 1.00 0.00 C ATOM 1558 O SER A 100 0.684 -7.656 5.126 1.00 0.00 O ATOM 1559 CB SER A 100 1.560 -10.673 4.446 1.00 0.00 C ATOM 1560 OG SER A 100 1.215 -11.972 3.974 1.00 0.00 O ATOM 0 H SER A 100 1.763 -10.353 1.987 1.00 0.00 H new ATOM 0 HA SER A 100 -0.249 -9.692 3.874 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.635 -10.524 4.343 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.328 -10.600 5.509 1.00 0.00 H new ATOM 0 HG SER A 100 1.711 -12.647 4.483 1.00 0.00 H new ATOM 1566 N PHE A 101 2.280 -7.661 3.524 1.00 0.00 N ATOM 1567 CA PHE A 101 2.805 -6.356 3.887 1.00 0.00 C ATOM 1568 C PHE A 101 1.742 -5.270 3.714 1.00 0.00 C ATOM 1569 O PHE A 101 1.709 -4.302 4.474 1.00 0.00 O ATOM 1570 CB PHE A 101 3.973 -6.066 2.941 1.00 0.00 C ATOM 1571 CG PHE A 101 4.258 -4.576 2.744 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.347 -3.752 3.822 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.422 -4.075 1.490 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.611 -2.369 3.639 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.686 -2.692 1.306 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.775 -1.868 2.385 1.00 0.00 C ATOM 0 H PHE A 101 2.756 -8.110 2.742 1.00 0.00 H new ATOM 0 HA PHE A 101 3.117 -6.357 4.931 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.870 -6.549 3.329 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.762 -6.517 1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.217 -4.150 4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.351 -4.730 0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.682 -1.715 4.495 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.816 -2.294 0.310 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.976 -0.816 2.246 1.00 0.00 H new ATOM 1586 N LEU A 102 0.899 -5.465 2.711 1.00 0.00 N ATOM 1587 CA LEU A 102 -0.162 -4.514 2.429 1.00 0.00 C ATOM 1588 C LEU A 102 -1.412 -4.901 3.222 1.00 0.00 C ATOM 1589 O LEU A 102 -2.279 -4.064 3.468 1.00 0.00 O ATOM 1590 CB LEU A 102 -0.399 -4.407 0.922 1.00 0.00 C ATOM 1591 CG LEU A 102 0.853 -4.260 0.054 1.00 0.00 C ATOM 1592 CD1 LEU A 102 0.676 -4.972 -1.288 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.229 -2.788 -0.123 1.00 0.00 C ATOM 0 H LEU A 102 0.929 -6.268 2.083 1.00 0.00 H new ATOM 0 HA LEU A 102 0.126 -3.514 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.941 -5.295 0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.048 -3.551 0.736 1.00 0.00 H new ATOM 0 HG LEU A 102 1.683 -4.744 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.580 -4.852 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.493 -6.033 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.171 -4.539 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.122 -2.713 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.407 -2.258 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.427 -2.343 0.852 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.465 -6.170 3.600 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.594 -6.678 4.360 1.00 0.00 C ATOM 1607 C GLY A 103 -3.530 -7.498 3.469 1.00 0.00 C ATOM 1608 O GLY A 103 -4.743 -7.498 3.671 1.00 0.00 O ATOM 0 H GLY A 103 -0.744 -6.861 3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.235 -7.296 5.183 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.143 -5.847 4.802 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.930 -8.178 2.503 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.694 -9.000 1.580 1.00 0.00 C ATOM 1614 C LEU A 104 -3.602 -10.465 2.013 1.00 0.00 C ATOM 1615 O LEU A 104 -3.191 -11.321 1.231 1.00 0.00 O ATOM 1616 CB LEU A 104 -3.240 -8.754 0.140 1.00 0.00 C ATOM 1617 CG LEU A 104 -3.101 -7.289 -0.278 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.473 -7.173 -1.668 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.446 -6.564 -0.194 1.00 0.00 C ATOM 0 H LEU A 104 -1.923 -8.176 2.339 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.748 -8.724 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.278 -9.246 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.950 -9.237 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.426 -6.797 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.385 -6.121 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.483 -7.629 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.102 -7.686 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.319 -5.525 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.163 -7.049 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.816 -6.601 0.831 1.00 0.00 H new