USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 554 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 Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -168:sc= 0.0821 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -2.25 F(o=-3.3,f=-2.2) USER MOD Single : A 52 SER OG : rot 46:sc= 1.17 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0259 USER MOD Single : A 59 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.36) USER MOD Single : A 60 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.52) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -3.31 K(o=-3.3,f=-7.2!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -128:sc= -0.587 (180deg=-1.08) USER MOD Single : A 74 MET CE :methyl -134:sc= -0.0246 (180deg=-1.24) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 83 THR OG1 : rot -42:sc= 1.09 USER MOD Single : B 84 LYS NZ :NH3+ -136:sc= 0.244 (180deg=-0.778) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 16 -14.131 -9.271 9.465 1.00 0.00 N ATOM 2 CA GLY A 16 -13.975 -8.575 8.158 1.00 0.00 C ATOM 3 C GLY A 16 -12.725 -9.003 7.419 1.00 0.00 C ATOM 4 O GLY A 16 -12.012 -9.904 7.860 1.00 0.00 O ATOM 0 HA2 GLY A 16 -14.848 -8.776 7.536 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.944 -7.498 8.325 1.00 0.00 H new ATOM 10 N ARG A 17 -12.459 -8.355 6.289 1.00 0.00 N ATOM 11 CA ARG A 17 -11.287 -8.676 5.489 1.00 0.00 C ATOM 12 C ARG A 17 -10.655 -7.420 4.908 1.00 0.00 C ATOM 13 O ARG A 17 -11.100 -6.900 3.885 1.00 0.00 O ATOM 14 CB ARG A 17 -11.655 -9.644 4.368 1.00 0.00 C ATOM 15 CG ARG A 17 -11.390 -11.093 4.726 1.00 0.00 C ATOM 16 CD ARG A 17 -12.532 -11.996 4.291 1.00 0.00 C ATOM 17 NE ARG A 17 -12.181 -12.794 3.120 1.00 0.00 N ATOM 18 CZ ARG A 17 -12.415 -12.412 1.868 1.00 0.00 C ATOM 19 NH1 ARG A 17 -13.018 -11.255 1.625 1.00 0.00 N ATOM 20 NH2 ARG A 17 -12.051 -13.188 0.857 1.00 0.00 N ATOM 0 H ARG A 17 -13.039 -7.607 5.909 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.557 -9.152 6.144 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.710 -9.523 4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.088 -9.387 3.473 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.465 -11.422 4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.246 -11.182 5.803 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.804 -12.658 5.113 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.409 -11.389 4.067 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.730 -13.697 3.271 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.303 -10.656 2.400 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.196 -10.965 0.664 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.591 -14.080 1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.231 -12.893 -0.103 1.00 0.00 H new ATOM 34 N VAL A 18 -9.611 -6.944 5.571 1.00 0.00 N ATOM 35 CA VAL A 18 -8.900 -5.750 5.129 1.00 0.00 C ATOM 36 C VAL A 18 -8.194 -5.999 3.799 1.00 0.00 C ATOM 37 O VAL A 18 -7.466 -6.979 3.648 1.00 0.00 O ATOM 38 CB VAL A 18 -7.864 -5.294 6.174 1.00 0.00 C ATOM 39 CG1 VAL A 18 -8.547 -4.553 7.313 1.00 0.00 C ATOM 40 CG2 VAL A 18 -7.074 -6.483 6.699 1.00 0.00 C ATOM 0 H VAL A 18 -9.235 -7.367 6.420 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.643 -4.963 5.003 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.166 -4.610 5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.800 -4.238 8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.062 -3.677 6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.269 -5.212 7.795 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.347 -6.140 7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.755 -7.195 7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.553 -6.967 5.873 1.00 0.00 H new ATOM 50 N ARG A 19 -8.420 -5.111 2.833 1.00 0.00 N ATOM 51 CA ARG A 19 -7.806 -5.250 1.516 1.00 0.00 C ATOM 52 C ARG A 19 -7.748 -3.912 0.781 1.00 0.00 C ATOM 53 O ARG A 19 -7.954 -3.853 -0.430 1.00 0.00 O ATOM 54 CB ARG A 19 -8.585 -6.267 0.677 1.00 0.00 C ATOM 55 CG ARG A 19 -10.092 -6.182 0.872 1.00 0.00 C ATOM 56 CD ARG A 19 -10.825 -7.324 0.179 1.00 0.00 C ATOM 57 NE ARG A 19 -9.915 -8.317 -0.387 1.00 0.00 N ATOM 58 CZ ARG A 19 -10.084 -8.871 -1.584 1.00 0.00 C ATOM 59 NH1 ARG A 19 -11.115 -8.520 -2.340 1.00 0.00 N ATOM 60 NH2 ARG A 19 -9.222 -9.777 -2.026 1.00 0.00 N ATOM 0 H ARG A 19 -9.020 -4.293 2.937 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.785 -5.602 1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.353 -6.112 -0.377 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.249 -7.272 0.933 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.321 -6.199 1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.454 -5.230 0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.489 -7.811 0.894 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.453 -6.919 -0.614 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.106 -8.601 0.166 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.780 -7.824 -2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.243 -8.946 -3.258 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.428 -10.050 -1.447 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.354 -10.201 -2.944 1.00 0.00 H new ATOM 74 N TRP A 20 -7.473 -2.839 1.519 1.00 0.00 N ATOM 75 CA TRP A 20 -7.392 -1.504 0.938 1.00 0.00 C ATOM 76 C TRP A 20 -6.254 -0.718 1.572 1.00 0.00 C ATOM 77 O TRP A 20 -5.827 -1.024 2.681 1.00 0.00 O ATOM 78 CB TRP A 20 -8.717 -0.763 1.115 1.00 0.00 C ATOM 79 CG TRP A 20 -9.840 -1.431 0.399 1.00 0.00 C ATOM 80 CD1 TRP A 20 -10.536 -2.525 0.818 1.00 0.00 C ATOM 81 CD2 TRP A 20 -10.386 -1.062 -0.869 1.00 0.00 C ATOM 82 NE1 TRP A 20 -11.478 -2.870 -0.122 1.00 0.00 N ATOM 83 CE2 TRP A 20 -11.406 -1.982 -1.166 1.00 0.00 C ATOM 84 CE3 TRP A 20 -10.110 -0.041 -1.784 1.00 0.00 C ATOM 85 CZ2 TRP A 20 -12.146 -1.913 -2.343 1.00 0.00 C ATOM 86 CZ3 TRP A 20 -10.848 0.027 -2.949 1.00 0.00 C ATOM 87 CH2 TRP A 20 -11.855 -0.905 -3.220 1.00 0.00 C ATOM 0 H TRP A 20 -7.302 -2.870 2.524 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.192 -1.602 -0.129 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.954 -0.697 2.177 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.611 0.258 0.748 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.372 -3.044 1.751 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.124 -3.656 -0.055 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -9.333 0.682 -1.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -12.924 -2.631 -2.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -10.644 0.812 -3.662 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -12.414 -0.827 -4.141 1.00 0.00 H new ATOM 98 N ALA A 21 -5.752 0.284 0.864 1.00 0.00 N ATOM 99 CA ALA A 21 -4.669 1.092 1.380 1.00 0.00 C ATOM 100 C ALA A 21 -5.049 2.563 1.364 1.00 0.00 C ATOM 101 O ALA A 21 -5.037 3.204 0.313 1.00 0.00 O ATOM 102 CB ALA A 21 -3.409 0.864 0.558 1.00 0.00 C ATOM 0 H ALA A 21 -6.079 0.552 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.475 0.797 2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.600 1.477 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.126 -0.187 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.597 1.139 -0.480 1.00 0.00 H new ATOM 108 N ARG A 22 -5.364 3.104 2.535 1.00 0.00 N ATOM 109 CA ARG A 22 -5.716 4.509 2.634 1.00 0.00 C ATOM 110 C ARG A 22 -4.548 5.269 3.230 1.00 0.00 C ATOM 111 O ARG A 22 -4.219 5.115 4.409 1.00 0.00 O ATOM 112 CB ARG A 22 -6.991 4.708 3.465 1.00 0.00 C ATOM 113 CG ARG A 22 -7.092 6.069 4.140 1.00 0.00 C ATOM 114 CD ARG A 22 -7.806 5.975 5.479 1.00 0.00 C ATOM 115 NE ARG A 22 -7.959 7.282 6.112 1.00 0.00 N ATOM 116 CZ ARG A 22 -8.429 7.455 7.343 1.00 0.00 C ATOM 117 NH1 ARG A 22 -8.804 6.409 8.068 1.00 0.00 N ATOM 118 NH2 ARG A 22 -8.528 8.675 7.852 1.00 0.00 N ATOM 0 H ARG A 22 -5.382 2.595 3.419 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.926 4.896 1.637 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.858 4.571 2.818 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.038 3.932 4.229 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.093 6.478 4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.627 6.760 3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.788 5.525 5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.247 5.315 6.142 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.690 8.109 5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.732 5.468 7.681 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.164 6.546 9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.243 9.483 7.299 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.889 8.806 8.797 1.00 0.00 H new ATOM 132 N ALA A 23 -3.910 6.065 2.390 1.00 0.00 N ATOM 133 CA ALA A 23 -2.749 6.837 2.799 1.00 0.00 C ATOM 134 C ALA A 23 -3.130 8.096 3.561 1.00 0.00 C ATOM 135 O ALA A 23 -3.790 8.987 3.025 1.00 0.00 O ATOM 136 CB ALA A 23 -1.905 7.193 1.586 1.00 0.00 C ATOM 0 H ALA A 23 -4.178 6.194 1.414 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.168 6.213 3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.037 7.772 1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.572 6.279 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.500 7.784 0.890 1.00 0.00 H new ATOM 142 N LEU A 24 -2.676 8.170 4.807 1.00 0.00 N ATOM 143 CA LEU A 24 -2.923 9.330 5.651 1.00 0.00 C ATOM 144 C LEU A 24 -1.808 10.341 5.423 1.00 0.00 C ATOM 145 O LEU A 24 -1.932 11.522 5.746 1.00 0.00 O ATOM 146 CB LEU A 24 -2.974 8.918 7.124 1.00 0.00 C ATOM 147 CG LEU A 24 -3.528 7.517 7.388 1.00 0.00 C ATOM 148 CD1 LEU A 24 -3.102 7.025 8.763 1.00 0.00 C ATOM 149 CD2 LEU A 24 -5.043 7.510 7.262 1.00 0.00 C ATOM 0 H LEU A 24 -2.131 7.434 5.256 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.884 9.775 5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.967 8.977 7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.584 9.641 7.666 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.119 6.838 6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.505 6.027 8.933 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.014 6.991 8.816 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.481 7.705 9.526 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.419 6.505 7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.472 8.202 7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.326 7.818 6.255 1.00 0.00 H new ATOM 161 N TYR A 25 -0.722 9.840 4.844 1.00 0.00 N ATOM 162 CA TYR A 25 0.451 10.642 4.526 1.00 0.00 C ATOM 163 C TYR A 25 0.954 10.270 3.136 1.00 0.00 C ATOM 164 O TYR A 25 0.391 9.386 2.489 1.00 0.00 O ATOM 165 CB TYR A 25 1.564 10.418 5.556 1.00 0.00 C ATOM 166 CG TYR A 25 1.067 10.135 6.957 1.00 0.00 C ATOM 167 CD1 TYR A 25 0.600 11.161 7.768 1.00 0.00 C ATOM 168 CD2 TYR A 25 1.071 8.842 7.469 1.00 0.00 C ATOM 169 CE1 TYR A 25 0.152 10.908 9.051 1.00 0.00 C ATOM 170 CE2 TYR A 25 0.623 8.582 8.751 1.00 0.00 C ATOM 171 CZ TYR A 25 0.165 9.618 9.537 1.00 0.00 C ATOM 172 OH TYR A 25 -0.280 9.363 10.814 1.00 0.00 O ATOM 0 H TYR A 25 -0.632 8.859 4.581 1.00 0.00 H new ATOM 0 HA TYR A 25 0.171 11.695 4.550 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.185 9.584 5.228 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.203 11.301 5.581 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.587 12.173 7.390 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.430 8.028 6.856 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.207 11.717 9.670 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.632 7.572 9.135 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.205 8.404 11.001 1.00 0.00 H new ATOM 182 N ASP A 26 2.006 10.944 2.679 1.00 0.00 N ATOM 183 CA ASP A 26 2.581 10.673 1.361 1.00 0.00 C ATOM 184 C ASP A 26 2.873 9.181 1.173 1.00 0.00 C ATOM 185 O ASP A 26 2.562 8.358 2.033 1.00 0.00 O ATOM 186 CB ASP A 26 3.866 11.480 1.167 1.00 0.00 C ATOM 187 CG ASP A 26 4.091 11.877 -0.280 1.00 0.00 C ATOM 188 OD1 ASP A 26 3.218 11.577 -1.122 1.00 0.00 O ATOM 189 OD2 ASP A 26 5.142 12.487 -0.571 1.00 0.00 O ATOM 0 H ASP A 26 2.479 11.682 3.201 1.00 0.00 H new ATOM 0 HA ASP A 26 1.848 10.973 0.612 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.824 12.378 1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.716 10.893 1.516 1.00 0.00 H new ATOM 194 N PHE A 27 3.459 8.837 0.033 1.00 0.00 N ATOM 195 CA PHE A 27 3.769 7.445 -0.279 1.00 0.00 C ATOM 196 C PHE A 27 5.247 7.119 -0.059 1.00 0.00 C ATOM 197 O PHE A 27 6.121 7.962 -0.260 1.00 0.00 O ATOM 198 CB PHE A 27 3.386 7.149 -1.725 1.00 0.00 C ATOM 199 CG PHE A 27 4.318 7.760 -2.730 1.00 0.00 C ATOM 200 CD1 PHE A 27 4.121 9.056 -3.178 1.00 0.00 C ATOM 201 CD2 PHE A 27 5.388 7.037 -3.227 1.00 0.00 C ATOM 202 CE1 PHE A 27 4.976 9.621 -4.104 1.00 0.00 C ATOM 203 CE2 PHE A 27 6.247 7.596 -4.154 1.00 0.00 C ATOM 204 CZ PHE A 27 6.041 8.890 -4.593 1.00 0.00 C ATOM 0 H PHE A 27 3.730 9.502 -0.692 1.00 0.00 H new ATOM 0 HA PHE A 27 3.191 6.817 0.400 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.363 6.069 -1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.376 7.517 -1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.289 9.631 -2.799 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.554 6.025 -2.887 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.812 10.633 -4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.079 7.022 -4.535 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.711 9.329 -5.317 1.00 0.00 H new ATOM 214 N GLU A 28 5.510 5.880 0.359 1.00 0.00 N ATOM 215 CA GLU A 28 6.873 5.417 0.614 1.00 0.00 C ATOM 216 C GLU A 28 7.419 4.608 -0.555 1.00 0.00 C ATOM 217 O GLU A 28 8.469 3.976 -0.440 1.00 0.00 O ATOM 218 CB GLU A 28 6.912 4.550 1.869 1.00 0.00 C ATOM 219 CG GLU A 28 6.339 5.231 3.095 1.00 0.00 C ATOM 220 CD GLU A 28 7.375 5.439 4.182 1.00 0.00 C ATOM 221 OE1 GLU A 28 7.726 4.453 4.864 1.00 0.00 O ATOM 222 OE2 GLU A 28 7.836 6.587 4.351 1.00 0.00 O ATOM 0 H GLU A 28 4.792 5.176 0.529 1.00 0.00 H new ATOM 0 HA GLU A 28 7.494 6.303 0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.358 3.630 1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.944 4.265 2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.920 6.195 2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.519 4.631 3.490 1.00 0.00 H new ATOM 229 N ALA A 29 6.707 4.615 -1.674 1.00 0.00 N ATOM 230 CA ALA A 29 7.143 3.860 -2.842 1.00 0.00 C ATOM 231 C ALA A 29 8.390 4.482 -3.461 1.00 0.00 C ATOM 232 O ALA A 29 8.315 5.495 -4.154 1.00 0.00 O ATOM 233 CB ALA A 29 6.026 3.776 -3.869 1.00 0.00 C ATOM 0 H ALA A 29 5.835 5.129 -1.798 1.00 0.00 H new ATOM 0 HA ALA A 29 7.394 2.850 -2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.369 3.209 -4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.163 3.278 -3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.744 4.781 -4.183 1.00 0.00 H new ATOM 239 N LEU A 30 9.537 3.860 -3.208 1.00 0.00 N ATOM 240 CA LEU A 30 10.804 4.343 -3.742 1.00 0.00 C ATOM 241 C LEU A 30 11.265 3.463 -4.896 1.00 0.00 C ATOM 242 O LEU A 30 12.172 3.825 -5.645 1.00 0.00 O ATOM 243 CB LEU A 30 11.872 4.370 -2.645 1.00 0.00 C ATOM 244 CG LEU A 30 11.352 4.690 -1.241 1.00 0.00 C ATOM 245 CD1 LEU A 30 12.427 4.423 -0.198 1.00 0.00 C ATOM 246 CD2 LEU A 30 10.879 6.134 -1.164 1.00 0.00 C ATOM 0 H LEU A 30 9.614 3.019 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 30 10.655 5.358 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.369 3.400 -2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.628 5.109 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 30 10.503 4.038 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.038 4.656 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.718 3.373 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.296 5.048 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.513 6.344 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.709 6.802 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.076 6.293 -1.883 1.00 0.00 H new ATOM 258 N GLU A 31 10.629 2.304 -5.031 1.00 0.00 N ATOM 259 CA GLU A 31 10.969 1.363 -6.096 1.00 0.00 C ATOM 260 C GLU A 31 10.051 1.545 -7.300 1.00 0.00 C ATOM 261 O GLU A 31 9.057 2.269 -7.232 1.00 0.00 O ATOM 262 CB GLU A 31 10.877 -0.075 -5.586 1.00 0.00 C ATOM 263 CG GLU A 31 12.024 -0.471 -4.672 1.00 0.00 C ATOM 264 CD GLU A 31 13.238 -0.960 -5.437 1.00 0.00 C ATOM 265 OE1 GLU A 31 13.584 -0.339 -6.464 1.00 0.00 O ATOM 266 OE2 GLU A 31 13.845 -1.964 -5.007 1.00 0.00 O ATOM 0 H GLU A 31 9.876 1.993 -4.418 1.00 0.00 H new ATOM 0 HA GLU A 31 11.993 1.566 -6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.936 -0.202 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.852 -0.753 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.306 0.384 -4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.688 -1.254 -3.992 1.00 0.00 H new ATOM 273 N GLU A 32 10.389 0.881 -8.402 1.00 0.00 N ATOM 274 CA GLU A 32 9.593 0.969 -9.620 1.00 0.00 C ATOM 275 C GLU A 32 8.452 -0.044 -9.599 1.00 0.00 C ATOM 276 O GLU A 32 7.366 0.221 -10.115 1.00 0.00 O ATOM 277 CB GLU A 32 10.473 0.740 -10.851 1.00 0.00 C ATOM 278 CG GLU A 32 11.264 -0.556 -10.802 1.00 0.00 C ATOM 279 CD GLU A 32 12.760 -0.334 -10.913 1.00 0.00 C ATOM 280 OE1 GLU A 32 13.172 0.800 -11.236 1.00 0.00 O ATOM 281 OE2 GLU A 32 13.521 -1.296 -10.678 1.00 0.00 O ATOM 0 H GLU A 32 11.208 0.277 -8.475 1.00 0.00 H new ATOM 0 HA GLU A 32 9.165 1.970 -9.672 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.844 0.738 -11.741 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.166 1.575 -10.952 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.046 -1.075 -9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.937 -1.207 -11.612 1.00 0.00 H new ATOM 288 N ASP A 33 8.705 -1.203 -8.997 1.00 0.00 N ATOM 289 CA ASP A 33 7.696 -2.255 -8.906 1.00 0.00 C ATOM 290 C ASP A 33 6.680 -1.938 -7.815 1.00 0.00 C ATOM 291 O ASP A 33 5.845 -2.774 -7.471 1.00 0.00 O ATOM 292 CB ASP A 33 8.351 -3.608 -8.614 1.00 0.00 C ATOM 293 CG ASP A 33 9.679 -3.470 -7.898 1.00 0.00 C ATOM 294 OD1 ASP A 33 10.692 -3.190 -8.573 1.00 0.00 O ATOM 295 OD2 ASP A 33 9.707 -3.643 -6.661 1.00 0.00 O ATOM 0 H ASP A 33 9.599 -1.438 -8.565 1.00 0.00 H new ATOM 0 HA ASP A 33 7.182 -2.306 -9.866 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.676 -4.211 -8.007 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.502 -4.144 -9.551 1.00 0.00 H new ATOM 300 N GLU A 34 6.763 -0.731 -7.267 1.00 0.00 N ATOM 301 CA GLU A 34 5.858 -0.315 -6.207 1.00 0.00 C ATOM 302 C GLU A 34 4.815 0.672 -6.717 1.00 0.00 C ATOM 303 O GLU A 34 4.757 0.981 -7.908 1.00 0.00 O ATOM 304 CB GLU A 34 6.647 0.306 -5.055 1.00 0.00 C ATOM 305 CG GLU A 34 7.314 -0.722 -4.155 1.00 0.00 C ATOM 306 CD GLU A 34 8.441 -0.135 -3.328 1.00 0.00 C ATOM 307 OE1 GLU A 34 8.512 1.106 -3.213 1.00 0.00 O ATOM 308 OE2 GLU A 34 9.254 -0.919 -2.793 1.00 0.00 O ATOM 0 H GLU A 34 7.447 -0.026 -7.540 1.00 0.00 H new ATOM 0 HA GLU A 34 5.334 -1.201 -5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.409 0.970 -5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.976 0.922 -4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.567 -1.154 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.704 -1.535 -4.767 1.00 0.00 H new ATOM 315 N LEU A 35 3.992 1.159 -5.797 1.00 0.00 N ATOM 316 CA LEU A 35 2.939 2.110 -6.121 1.00 0.00 C ATOM 317 C LEU A 35 2.924 3.240 -5.099 1.00 0.00 C ATOM 318 O LEU A 35 3.110 3.007 -3.905 1.00 0.00 O ATOM 319 CB LEU A 35 1.587 1.396 -6.148 1.00 0.00 C ATOM 320 CG LEU A 35 0.360 2.306 -6.068 1.00 0.00 C ATOM 321 CD1 LEU A 35 -0.089 2.717 -7.461 1.00 0.00 C ATOM 322 CD2 LEU A 35 -0.767 1.605 -5.325 1.00 0.00 C ATOM 0 H LEU A 35 4.036 0.907 -4.810 1.00 0.00 H new ATOM 0 HA LEU A 35 3.131 2.536 -7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.524 0.810 -7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.551 0.692 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 35 0.629 3.207 -5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.963 3.364 -7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.718 3.254 -7.960 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.344 1.828 -8.038 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.634 2.263 -5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.036 0.690 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.439 1.359 -4.315 1.00 0.00 H new ATOM 334 N GLY A 36 2.718 4.463 -5.572 1.00 0.00 N ATOM 335 CA GLY A 36 2.707 5.600 -4.677 1.00 0.00 C ATOM 336 C GLY A 36 1.374 6.317 -4.613 1.00 0.00 C ATOM 337 O GLY A 36 0.778 6.643 -5.640 1.00 0.00 O ATOM 0 H GLY A 36 2.559 4.685 -6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.977 5.264 -3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.474 6.307 -4.994 1.00 0.00 H new ATOM 341 N PHE A 37 0.924 6.580 -3.391 1.00 0.00 N ATOM 342 CA PHE A 37 -0.329 7.286 -3.158 1.00 0.00 C ATOM 343 C PHE A 37 -0.060 8.612 -2.460 1.00 0.00 C ATOM 344 O PHE A 37 1.086 8.952 -2.174 1.00 0.00 O ATOM 345 CB PHE A 37 -1.278 6.451 -2.299 1.00 0.00 C ATOM 346 CG PHE A 37 -0.595 5.407 -1.465 1.00 0.00 C ATOM 347 CD1 PHE A 37 0.388 5.760 -0.553 1.00 0.00 C ATOM 348 CD2 PHE A 37 -0.942 4.073 -1.588 1.00 0.00 C ATOM 349 CE1 PHE A 37 1.012 4.800 0.217 1.00 0.00 C ATOM 350 CE2 PHE A 37 -0.322 3.109 -0.820 1.00 0.00 C ATOM 351 CZ PHE A 37 0.657 3.473 0.084 1.00 0.00 C ATOM 0 H PHE A 37 1.415 6.311 -2.538 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.797 7.466 -4.126 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.836 7.117 -1.641 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.004 5.963 -2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.668 6.797 -0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.707 3.783 -2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.777 5.087 0.923 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.602 2.071 -0.925 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.144 2.720 0.686 1.00 0.00 H new ATOM 361 N ARG A 38 -1.119 9.359 -2.186 1.00 0.00 N ATOM 362 CA ARG A 38 -0.978 10.645 -1.517 1.00 0.00 C ATOM 363 C ARG A 38 -1.932 10.768 -0.333 1.00 0.00 C ATOM 364 O ARG A 38 -2.758 9.887 -0.095 1.00 0.00 O ATOM 365 CB ARG A 38 -1.199 11.776 -2.515 1.00 0.00 C ATOM 366 CG ARG A 38 -0.144 11.804 -3.609 1.00 0.00 C ATOM 367 CD ARG A 38 -0.632 11.134 -4.881 1.00 0.00 C ATOM 368 NE ARG A 38 0.452 10.466 -5.598 1.00 0.00 N ATOM 369 CZ ARG A 38 0.677 10.610 -6.901 1.00 0.00 C ATOM 370 NH1 ARG A 38 -0.101 11.397 -7.632 1.00 0.00 N ATOM 371 NH2 ARG A 38 1.684 9.966 -7.475 1.00 0.00 N ATOM 0 H ARG A 38 -2.079 9.100 -2.414 1.00 0.00 H new ATOM 0 HA ARG A 38 0.036 10.716 -1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.184 11.668 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.194 12.729 -1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.129 12.837 -3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.758 11.303 -3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.406 10.407 -4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.091 11.879 -5.530 1.00 0.00 H new ATOM 0 HE ARG A 38 1.072 9.854 -5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.876 11.895 -7.195 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.076 11.504 -8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.286 9.360 -6.917 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.857 10.076 -8.474 1.00 0.00 H new ATOM 385 N SER A 39 -1.800 11.864 0.409 1.00 0.00 N ATOM 386 CA SER A 39 -2.638 12.115 1.578 1.00 0.00 C ATOM 387 C SER A 39 -4.120 11.939 1.255 1.00 0.00 C ATOM 388 O SER A 39 -4.603 12.405 0.223 1.00 0.00 O ATOM 389 CB SER A 39 -2.387 13.526 2.112 1.00 0.00 C ATOM 390 OG SER A 39 -2.727 14.505 1.145 1.00 0.00 O ATOM 0 H SER A 39 -1.116 12.597 0.220 1.00 0.00 H new ATOM 0 HA SER A 39 -2.370 11.384 2.341 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.973 13.685 3.017 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.338 13.632 2.389 1.00 0.00 H new ATOM 0 HG SER A 39 -2.559 15.398 1.511 1.00 0.00 H new ATOM 396 N GLY A 40 -4.833 11.268 2.156 1.00 0.00 N ATOM 397 CA GLY A 40 -6.256 11.037 1.974 1.00 0.00 C ATOM 398 C GLY A 40 -6.588 10.373 0.652 1.00 0.00 C ATOM 399 O GLY A 40 -7.346 10.921 -0.149 1.00 0.00 O ATOM 0 H GLY A 40 -4.447 10.877 3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.624 10.414 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.783 11.989 2.038 1.00 0.00 H new ATOM 403 N GLU A 41 -6.026 9.190 0.419 1.00 0.00 N ATOM 404 CA GLU A 41 -6.277 8.459 -0.819 1.00 0.00 C ATOM 405 C GLU A 41 -6.735 7.032 -0.542 1.00 0.00 C ATOM 406 O GLU A 41 -6.358 6.432 0.462 1.00 0.00 O ATOM 407 CB GLU A 41 -5.020 8.440 -1.690 1.00 0.00 C ATOM 408 CG GLU A 41 -4.736 9.762 -2.385 1.00 0.00 C ATOM 409 CD GLU A 41 -5.712 10.051 -3.509 1.00 0.00 C ATOM 410 OE1 GLU A 41 -5.636 9.368 -4.552 1.00 0.00 O ATOM 411 OE2 GLU A 41 -6.553 10.961 -3.346 1.00 0.00 O ATOM 0 H GLU A 41 -5.396 8.719 1.068 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.077 8.975 -1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.164 8.175 -1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.123 7.659 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.780 10.569 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.722 9.748 -2.784 1.00 0.00 H new ATOM 418 N VAL A 42 -7.550 6.495 -1.448 1.00 0.00 N ATOM 419 CA VAL A 42 -8.061 5.135 -1.313 1.00 0.00 C ATOM 420 C VAL A 42 -7.451 4.219 -2.371 1.00 0.00 C ATOM 421 O VAL A 42 -7.435 4.549 -3.557 1.00 0.00 O ATOM 422 CB VAL A 42 -9.597 5.094 -1.434 1.00 0.00 C ATOM 423 CG1 VAL A 42 -10.110 3.670 -1.273 1.00 0.00 C ATOM 424 CG2 VAL A 42 -10.240 6.018 -0.411 1.00 0.00 C ATOM 0 H VAL A 42 -7.870 6.983 -2.284 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.778 4.784 -0.321 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.872 5.444 -2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.196 3.662 -1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.678 3.038 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.823 3.289 -0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.324 5.975 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.957 5.702 0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.900 7.040 -0.579 1.00 0.00 H new ATOM 434 N VAL A 43 -6.945 3.069 -1.933 1.00 0.00 N ATOM 435 CA VAL A 43 -6.327 2.108 -2.841 1.00 0.00 C ATOM 436 C VAL A 43 -6.903 0.708 -2.646 1.00 0.00 C ATOM 437 O VAL A 43 -7.184 0.295 -1.524 1.00 0.00 O ATOM 438 CB VAL A 43 -4.800 2.053 -2.633 1.00 0.00 C ATOM 439 CG1 VAL A 43 -4.147 1.152 -3.669 1.00 0.00 C ATOM 440 CG2 VAL A 43 -4.203 3.450 -2.681 1.00 0.00 C ATOM 0 H VAL A 43 -6.951 2.780 -0.955 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.544 2.445 -3.855 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.605 1.632 -1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.070 1.128 -3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.550 0.143 -3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.352 1.538 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.125 3.390 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.411 3.901 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.644 4.062 -1.894 1.00 0.00 H new ATOM 450 N GLU A 44 -7.066 -0.024 -3.746 1.00 0.00 N ATOM 451 CA GLU A 44 -7.597 -1.383 -3.687 1.00 0.00 C ATOM 452 C GLU A 44 -6.454 -2.392 -3.621 1.00 0.00 C ATOM 453 O GLU A 44 -5.693 -2.543 -4.578 1.00 0.00 O ATOM 454 CB GLU A 44 -8.480 -1.667 -4.904 1.00 0.00 C ATOM 455 CG GLU A 44 -9.391 -2.872 -4.727 1.00 0.00 C ATOM 456 CD GLU A 44 -10.214 -3.170 -5.966 1.00 0.00 C ATOM 457 OE1 GLU A 44 -10.522 -2.220 -6.716 1.00 0.00 O ATOM 458 OE2 GLU A 44 -10.551 -4.352 -6.185 1.00 0.00 O ATOM 0 H GLU A 44 -6.839 0.300 -4.686 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.205 -1.478 -2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.090 -0.788 -5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.844 -1.828 -5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.788 -3.745 -4.478 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.060 -2.696 -3.885 1.00 0.00 H new ATOM 465 N VAL A 45 -6.332 -3.075 -2.487 1.00 0.00 N ATOM 466 CA VAL A 45 -5.272 -4.061 -2.303 1.00 0.00 C ATOM 467 C VAL A 45 -5.633 -5.387 -2.964 1.00 0.00 C ATOM 468 O VAL A 45 -6.770 -5.850 -2.873 1.00 0.00 O ATOM 469 CB VAL A 45 -4.974 -4.305 -0.810 1.00 0.00 C ATOM 470 CG1 VAL A 45 -3.943 -5.410 -0.637 1.00 0.00 C ATOM 471 CG2 VAL A 45 -4.498 -3.022 -0.146 1.00 0.00 C ATOM 0 H VAL A 45 -6.951 -2.965 -1.684 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.379 -3.653 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.897 -4.624 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.749 -5.564 0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.323 -6.334 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.017 -5.125 -1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.292 -3.212 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.589 -2.674 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.271 -2.259 -0.233 1.00 0.00 H new ATOM 481 N LEU A 46 -4.655 -5.989 -3.632 1.00 0.00 N ATOM 482 CA LEU A 46 -4.863 -7.259 -4.316 1.00 0.00 C ATOM 483 C LEU A 46 -4.277 -8.418 -3.515 1.00 0.00 C ATOM 484 O LEU A 46 -4.697 -9.565 -3.673 1.00 0.00 O ATOM 485 CB LEU A 46 -4.231 -7.218 -5.707 1.00 0.00 C ATOM 486 CG LEU A 46 -5.223 -7.197 -6.870 1.00 0.00 C ATOM 487 CD1 LEU A 46 -4.639 -6.445 -8.056 1.00 0.00 C ATOM 488 CD2 LEU A 46 -5.602 -8.615 -7.270 1.00 0.00 C ATOM 0 H LEU A 46 -3.709 -5.617 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.937 -7.417 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.597 -6.334 -5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.581 -8.086 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.125 -6.678 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.359 -6.440 -8.874 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.417 -5.419 -7.763 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.722 -6.936 -8.382 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.309 -8.583 -8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.708 -9.158 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.061 -9.122 -6.421 1.00 0.00 H new ATOM 500 N ASP A 47 -3.304 -8.118 -2.658 1.00 0.00 N ATOM 501 CA ASP A 47 -2.669 -9.148 -1.843 1.00 0.00 C ATOM 502 C ASP A 47 -2.122 -8.573 -0.539 1.00 0.00 C ATOM 503 O ASP A 47 -0.988 -8.096 -0.485 1.00 0.00 O ATOM 504 CB ASP A 47 -1.541 -9.823 -2.627 1.00 0.00 C ATOM 505 CG ASP A 47 -1.646 -11.336 -2.600 1.00 0.00 C ATOM 506 OD1 ASP A 47 -1.969 -11.890 -1.528 1.00 0.00 O ATOM 507 OD2 ASP A 47 -1.404 -11.966 -3.651 1.00 0.00 O ATOM 0 H ASP A 47 -2.941 -7.176 -2.511 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.430 -9.888 -1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.563 -9.478 -3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.580 -9.520 -2.210 1.00 0.00 H new ATOM 512 N SER A 48 -2.934 -8.638 0.512 1.00 0.00 N ATOM 513 CA SER A 48 -2.538 -8.140 1.827 1.00 0.00 C ATOM 514 C SER A 48 -1.777 -9.197 2.590 1.00 0.00 C ATOM 515 O SER A 48 -1.425 -8.995 3.753 1.00 0.00 O ATOM 516 CB SER A 48 -3.765 -7.697 2.625 1.00 0.00 C ATOM 517 OG SER A 48 -4.880 -8.527 2.351 1.00 0.00 O ATOM 0 H SER A 48 -3.874 -9.032 0.479 1.00 0.00 H new ATOM 0 HA SER A 48 -1.886 -7.279 1.681 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.539 -7.727 3.691 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.008 -6.663 2.379 1.00 0.00 H new ATOM 0 HG SER A 48 -5.691 -8.117 2.718 1.00 0.00 H new ATOM 523 N SER A 49 -1.489 -10.315 1.939 1.00 0.00 N ATOM 524 CA SER A 49 -0.733 -11.346 2.607 1.00 0.00 C ATOM 525 C SER A 49 0.731 -10.946 2.611 1.00 0.00 C ATOM 526 O SER A 49 1.368 -10.865 1.560 1.00 0.00 O ATOM 527 CB SER A 49 -0.918 -12.693 1.905 1.00 0.00 C ATOM 528 OG SER A 49 -2.154 -13.288 2.262 1.00 0.00 O ATOM 0 H SER A 49 -1.761 -10.522 0.978 1.00 0.00 H new ATOM 0 HA SER A 49 -1.089 -11.455 3.631 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.877 -12.553 0.825 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.099 -13.361 2.171 1.00 0.00 H new ATOM 0 HG SER A 49 -2.249 -14.147 1.799 1.00 0.00 H new ATOM 534 N ASN A 50 1.230 -10.692 3.813 1.00 0.00 N ATOM 535 CA ASN A 50 2.608 -10.273 4.051 1.00 0.00 C ATOM 536 C ASN A 50 2.689 -9.604 5.420 1.00 0.00 C ATOM 537 O ASN A 50 1.681 -9.110 5.926 1.00 0.00 O ATOM 538 CB ASN A 50 3.065 -9.291 2.979 1.00 0.00 C ATOM 539 CG ASN A 50 3.963 -9.922 1.937 1.00 0.00 C ATOM 540 OD1 ASN A 50 3.686 -9.621 0.673 1.00 0.00 O flip ATOM 541 ND2 ASN A 50 4.888 -10.668 2.260 1.00 0.00 N flip ATOM 0 H ASN A 50 0.679 -10.772 4.668 1.00 0.00 H new ATOM 0 HA ASN A 50 3.258 -11.148 4.017 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.190 -8.867 2.487 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.595 -8.465 3.454 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.061 -10.869 3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.481 -11.085 1.543 1.00 0.00 H new ATOM 548 N PRO A 51 3.869 -9.586 6.054 1.00 0.00 N ATOM 549 CA PRO A 51 4.030 -8.987 7.369 1.00 0.00 C ATOM 550 C PRO A 51 4.444 -7.518 7.328 1.00 0.00 C ATOM 551 O PRO A 51 4.833 -6.957 8.353 1.00 0.00 O ATOM 552 CB PRO A 51 5.142 -9.841 7.969 1.00 0.00 C ATOM 553 CG PRO A 51 6.006 -10.211 6.803 1.00 0.00 C ATOM 554 CD PRO A 51 5.132 -10.166 5.568 1.00 0.00 C ATOM 0 HA PRO A 51 3.097 -8.977 7.933 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.706 -9.287 8.720 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.740 -10.727 8.461 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.842 -9.518 6.708 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.430 -11.206 6.938 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.578 -9.554 4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.980 -11.161 5.148 1.00 0.00 H new ATOM 562 N SER A 52 4.361 -6.892 6.155 1.00 0.00 N ATOM 563 CA SER A 52 4.736 -5.484 6.032 1.00 0.00 C ATOM 564 C SER A 52 4.360 -4.899 4.671 1.00 0.00 C ATOM 565 O SER A 52 3.548 -3.980 4.589 1.00 0.00 O ATOM 566 CB SER A 52 6.238 -5.319 6.264 1.00 0.00 C ATOM 567 OG SER A 52 6.513 -4.998 7.617 1.00 0.00 O ATOM 0 H SER A 52 4.043 -7.328 5.290 1.00 0.00 H new ATOM 0 HA SER A 52 4.179 -4.936 6.792 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.754 -6.240 5.993 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.625 -4.534 5.615 1.00 0.00 H new ATOM 0 HG SER A 52 6.001 -5.592 8.205 1.00 0.00 H new ATOM 573 N TRP A 53 4.972 -5.414 3.610 1.00 0.00 N ATOM 574 CA TRP A 53 4.710 -4.914 2.262 1.00 0.00 C ATOM 575 C TRP A 53 3.679 -5.766 1.528 1.00 0.00 C ATOM 576 O TRP A 53 3.899 -6.953 1.291 1.00 0.00 O ATOM 577 CB TRP A 53 6.009 -4.883 1.455 1.00 0.00 C ATOM 578 CG TRP A 53 6.805 -3.628 1.642 1.00 0.00 C ATOM 579 CD1 TRP A 53 7.714 -3.373 2.627 1.00 0.00 C ATOM 580 CD2 TRP A 53 6.765 -2.459 0.818 1.00 0.00 C ATOM 581 NE1 TRP A 53 8.242 -2.115 2.466 1.00 0.00 N ATOM 582 CE2 TRP A 53 7.675 -1.534 1.362 1.00 0.00 C ATOM 583 CE3 TRP A 53 6.048 -2.103 -0.328 1.00 0.00 C ATOM 584 CZ2 TRP A 53 7.886 -0.278 0.800 1.00 0.00 C ATOM 585 CZ3 TRP A 53 6.259 -0.856 -0.884 1.00 0.00 C ATOM 586 CH2 TRP A 53 7.171 0.043 -0.320 1.00 0.00 C ATOM 0 H TRP A 53 5.650 -6.174 3.655 1.00 0.00 H new ATOM 0 HA TRP A 53 4.306 -3.906 2.361 1.00 0.00 H new ATOM 0 HB2 TRP A 53 6.623 -5.738 1.739 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.772 -4.998 0.397 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.980 -4.059 3.417 1.00 0.00 H new ATOM 0 HE1 TRP A 53 8.942 -1.684 3.070 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.342 -2.790 -0.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.589 0.418 1.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.711 -0.570 -1.769 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.313 1.010 -0.779 1.00 0.00 H new ATOM 597 N TRP A 54 2.564 -5.145 1.143 1.00 0.00 N ATOM 598 CA TRP A 54 1.517 -5.849 0.406 1.00 0.00 C ATOM 599 C TRP A 54 1.447 -5.346 -1.033 1.00 0.00 C ATOM 600 O TRP A 54 1.711 -4.174 -1.302 1.00 0.00 O ATOM 601 CB TRP A 54 0.138 -5.668 1.052 1.00 0.00 C ATOM 602 CG TRP A 54 0.069 -5.982 2.514 1.00 0.00 C ATOM 603 CD1 TRP A 54 0.906 -6.785 3.223 1.00 0.00 C ATOM 604 CD2 TRP A 54 -0.917 -5.511 3.442 1.00 0.00 C ATOM 605 NE1 TRP A 54 0.499 -6.855 4.531 1.00 0.00 N ATOM 606 CE2 TRP A 54 -0.613 -6.074 4.693 1.00 0.00 C ATOM 607 CE3 TRP A 54 -2.026 -4.666 3.335 1.00 0.00 C ATOM 608 CZ2 TRP A 54 -1.377 -5.823 5.830 1.00 0.00 C ATOM 609 CZ3 TRP A 54 -2.783 -4.415 4.464 1.00 0.00 C ATOM 610 CH2 TRP A 54 -2.455 -4.991 5.697 1.00 0.00 C ATOM 0 H TRP A 54 2.364 -4.162 1.328 1.00 0.00 H new ATOM 0 HA TRP A 54 1.777 -6.907 0.426 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.182 -4.637 0.903 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.577 -6.302 0.527 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.767 -7.294 2.815 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.952 -7.401 5.264 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.286 -4.218 2.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.128 -6.269 6.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.642 -3.764 4.394 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.065 -4.774 6.561 1.00 0.00 H new ATOM 621 N THR A 55 1.080 -6.234 -1.950 1.00 0.00 N ATOM 622 CA THR A 55 0.961 -5.873 -3.359 1.00 0.00 C ATOM 623 C THR A 55 -0.463 -5.425 -3.689 1.00 0.00 C ATOM 624 O THR A 55 -1.414 -6.193 -3.543 1.00 0.00 O ATOM 625 CB THR A 55 1.346 -7.050 -4.277 1.00 0.00 C ATOM 626 OG1 THR A 55 2.692 -7.460 -4.010 1.00 0.00 O ATOM 627 CG2 THR A 55 1.212 -6.662 -5.743 1.00 0.00 C ATOM 0 H THR A 55 0.860 -7.208 -1.744 1.00 0.00 H new ATOM 0 HA THR A 55 1.651 -5.048 -3.536 1.00 0.00 H new ATOM 0 HB THR A 55 0.666 -7.877 -4.073 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.928 -8.209 -4.596 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.489 -7.509 -6.370 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.180 -6.378 -5.951 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.870 -5.820 -5.958 1.00 0.00 H new ATOM 635 N GLY A 56 -0.601 -4.178 -4.134 1.00 0.00 N ATOM 636 CA GLY A 56 -1.911 -3.648 -4.479 1.00 0.00 C ATOM 637 C GLY A 56 -1.859 -2.741 -5.695 1.00 0.00 C ATOM 638 O GLY A 56 -0.858 -2.719 -6.408 1.00 0.00 O ATOM 0 H GLY A 56 0.171 -3.524 -4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.596 -4.474 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.312 -3.093 -3.631 1.00 0.00 H new ATOM 642 N ARG A 57 -2.934 -1.993 -5.938 1.00 0.00 N ATOM 643 CA ARG A 57 -2.979 -1.089 -7.084 1.00 0.00 C ATOM 644 C ARG A 57 -3.887 0.112 -6.824 1.00 0.00 C ATOM 645 O ARG A 57 -4.999 -0.031 -6.314 1.00 0.00 O ATOM 646 CB ARG A 57 -3.442 -1.837 -8.338 1.00 0.00 C ATOM 647 CG ARG A 57 -4.761 -2.569 -8.162 1.00 0.00 C ATOM 648 CD ARG A 57 -5.567 -2.580 -9.451 1.00 0.00 C ATOM 649 NE ARG A 57 -6.586 -3.625 -9.448 1.00 0.00 N ATOM 650 CZ ARG A 57 -6.571 -4.673 -10.265 1.00 0.00 C ATOM 651 NH1 ARG A 57 -5.602 -4.808 -11.161 1.00 0.00 N ATOM 652 NH2 ARG A 57 -7.528 -5.587 -10.188 1.00 0.00 N ATOM 0 H ARG A 57 -3.777 -1.995 -5.363 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.968 -0.714 -7.243 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.538 -1.127 -9.159 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.674 -2.555 -8.626 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.570 -3.593 -7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.341 -2.091 -7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.043 -1.609 -9.589 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.896 -2.730 -10.297 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.353 -3.546 -8.781 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.865 -4.106 -11.225 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.594 -5.614 -11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.276 -5.486 -9.502 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.517 -6.391 -10.815 1.00 0.00 H new ATOM 666 N LEU A 58 -3.400 1.296 -7.194 1.00 0.00 N ATOM 667 CA LEU A 58 -4.152 2.536 -7.020 1.00 0.00 C ATOM 668 C LEU A 58 -4.814 2.932 -8.334 1.00 0.00 C ATOM 669 O LEU A 58 -4.130 3.247 -9.307 1.00 0.00 O ATOM 670 CB LEU A 58 -3.218 3.656 -6.547 1.00 0.00 C ATOM 671 CG LEU A 58 -3.900 4.957 -6.111 1.00 0.00 C ATOM 672 CD1 LEU A 58 -3.025 5.706 -5.122 1.00 0.00 C ATOM 673 CD2 LEU A 58 -4.205 5.836 -7.316 1.00 0.00 C ATOM 0 H LEU A 58 -2.481 1.421 -7.619 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.924 2.378 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.627 3.281 -5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.521 3.886 -7.353 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.842 4.703 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.523 6.628 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.853 5.083 -4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.070 5.945 -5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.689 6.754 -6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.277 6.081 -7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.868 5.303 -7.997 1.00 0.00 H new ATOM 685 N HIS A 59 -6.144 2.907 -8.355 1.00 0.00 N ATOM 686 CA HIS A 59 -6.901 3.255 -9.555 1.00 0.00 C ATOM 687 C HIS A 59 -6.631 2.247 -10.670 1.00 0.00 C ATOM 688 O HIS A 59 -7.387 1.292 -10.849 1.00 0.00 O ATOM 689 CB HIS A 59 -6.551 4.670 -10.023 1.00 0.00 C ATOM 690 CG HIS A 59 -7.457 5.726 -9.469 1.00 0.00 C ATOM 691 ND1 HIS A 59 -8.830 5.601 -9.441 1.00 0.00 N ATOM 692 CD2 HIS A 59 -7.179 6.933 -8.921 1.00 0.00 C ATOM 693 CE1 HIS A 59 -9.358 6.686 -8.901 1.00 0.00 C ATOM 694 NE2 HIS A 59 -8.377 7.508 -8.577 1.00 0.00 N ATOM 0 H HIS A 59 -6.721 2.649 -7.554 1.00 0.00 H new ATOM 0 HA HIS A 59 -7.962 3.225 -9.309 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.524 4.896 -9.734 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -6.591 4.704 -11.112 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.198 7.363 -8.781 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -10.412 6.869 -8.751 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -8.491 8.423 -8.141 1.00 0.00 H new ATOM 703 N ASN A 60 -5.548 2.461 -11.416 1.00 0.00 N ATOM 704 CA ASN A 60 -5.185 1.564 -12.508 1.00 0.00 C ATOM 705 C ASN A 60 -3.683 1.289 -12.523 1.00 0.00 C ATOM 706 O ASN A 60 -3.168 0.653 -13.443 1.00 0.00 O ATOM 707 CB ASN A 60 -5.624 2.155 -13.849 1.00 0.00 C ATOM 708 CG ASN A 60 -6.939 1.584 -14.335 1.00 0.00 C ATOM 709 OD1 ASN A 60 -7.189 0.383 -14.224 1.00 0.00 O ATOM 710 ND2 ASN A 60 -7.787 2.446 -14.878 1.00 0.00 N ATOM 0 H ASN A 60 -4.910 3.245 -11.284 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.701 0.617 -12.349 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.716 3.237 -13.752 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.852 1.966 -14.595 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.690 2.123 -15.225 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.536 3.432 -14.949 1.00 0.00 H new ATOM 717 N LYS A 61 -2.989 1.759 -11.492 1.00 0.00 N ATOM 718 CA LYS A 61 -1.550 1.553 -11.373 1.00 0.00 C ATOM 719 C LYS A 61 -1.267 0.421 -10.397 1.00 0.00 C ATOM 720 O LYS A 61 -1.791 0.413 -9.286 1.00 0.00 O ATOM 721 CB LYS A 61 -0.864 2.834 -10.895 1.00 0.00 C ATOM 722 CG LYS A 61 -1.084 4.025 -11.812 1.00 0.00 C ATOM 723 CD LYS A 61 -0.373 5.263 -11.292 1.00 0.00 C ATOM 724 CE LYS A 61 1.110 5.232 -11.623 1.00 0.00 C ATOM 725 NZ LYS A 61 1.456 6.189 -12.710 1.00 0.00 N ATOM 0 H LYS A 61 -3.402 2.287 -10.724 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.154 1.289 -12.354 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.231 3.082 -9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.206 2.650 -10.804 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.721 3.788 -12.812 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.152 4.226 -11.900 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.826 6.154 -11.727 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.505 5.333 -10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.686 5.473 -10.730 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.394 4.223 -11.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.476 6.138 -12.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.925 5.944 -13.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.209 7.155 -12.414 1.00 0.00 H new ATOM 739 N LEU A 62 -0.448 -0.538 -10.813 1.00 0.00 N ATOM 740 CA LEU A 62 -0.121 -1.677 -9.961 1.00 0.00 C ATOM 741 C LEU A 62 1.266 -1.536 -9.346 1.00 0.00 C ATOM 742 O LEU A 62 2.231 -1.190 -10.028 1.00 0.00 O ATOM 743 CB LEU A 62 -0.204 -2.979 -10.762 1.00 0.00 C ATOM 744 CG LEU A 62 -1.437 -3.113 -11.657 1.00 0.00 C ATOM 745 CD1 LEU A 62 -1.026 -3.262 -13.114 1.00 0.00 C ATOM 746 CD2 LEU A 62 -2.286 -4.297 -11.219 1.00 0.00 C ATOM 0 H LEU A 62 -0.000 -0.551 -11.729 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.849 -1.703 -9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.688 -3.062 -11.383 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.187 -3.817 -10.066 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.033 -2.206 -11.560 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.917 -3.356 -13.735 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.459 -2.384 -13.424 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.408 -4.153 -13.228 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.159 -4.378 -11.866 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.697 -5.212 -11.288 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.610 -4.151 -10.189 1.00 0.00 H new ATOM 758 N GLY A 63 1.352 -1.814 -8.047 1.00 0.00 N ATOM 759 CA GLY A 63 2.618 -1.722 -7.347 1.00 0.00 C ATOM 760 C GLY A 63 2.486 -2.014 -5.862 1.00 0.00 C ATOM 761 O GLY A 63 1.388 -1.974 -5.309 1.00 0.00 O ATOM 0 H GLY A 63 0.564 -2.102 -7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.326 -2.423 -7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.032 -0.723 -7.482 1.00 0.00 H new ATOM 765 N LEU A 64 3.612 -2.308 -5.218 1.00 0.00 N ATOM 766 CA LEU A 64 3.625 -2.610 -3.788 1.00 0.00 C ATOM 767 C LEU A 64 3.528 -1.329 -2.963 1.00 0.00 C ATOM 768 O LEU A 64 3.885 -0.252 -3.435 1.00 0.00 O ATOM 769 CB LEU A 64 4.897 -3.381 -3.419 1.00 0.00 C ATOM 770 CG LEU A 64 5.704 -3.917 -4.606 1.00 0.00 C ATOM 771 CD1 LEU A 64 7.110 -4.293 -4.170 1.00 0.00 C ATOM 772 CD2 LEU A 64 5.000 -5.111 -5.234 1.00 0.00 C ATOM 0 H LEU A 64 4.529 -2.344 -5.663 1.00 0.00 H new ATOM 0 HA LEU A 64 2.758 -3.231 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.540 -2.728 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.621 -4.220 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 64 5.778 -3.129 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.668 -4.672 -5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.614 -3.414 -3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.059 -5.064 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.587 -5.479 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.894 -5.903 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.013 -4.808 -5.585 1.00 0.00 H new ATOM 784 N PHE A 65 3.041 -1.447 -1.729 1.00 0.00 N ATOM 785 CA PHE A 65 2.899 -0.283 -0.856 1.00 0.00 C ATOM 786 C PHE A 65 3.202 -0.636 0.601 1.00 0.00 C ATOM 787 O PHE A 65 3.164 -1.806 0.985 1.00 0.00 O ATOM 788 CB PHE A 65 1.482 0.297 -0.974 1.00 0.00 C ATOM 789 CG PHE A 65 0.485 -0.340 -0.048 1.00 0.00 C ATOM 790 CD1 PHE A 65 0.334 0.131 1.245 1.00 0.00 C ATOM 791 CD2 PHE A 65 -0.289 -1.410 -0.462 1.00 0.00 C ATOM 792 CE1 PHE A 65 -0.565 -0.451 2.109 1.00 0.00 C ATOM 793 CE2 PHE A 65 -1.197 -1.998 0.397 1.00 0.00 C ATOM 794 CZ PHE A 65 -1.334 -1.519 1.687 1.00 0.00 C ATOM 0 H PHE A 65 2.740 -2.329 -1.314 1.00 0.00 H new ATOM 0 HA PHE A 65 3.623 0.466 -1.177 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.520 1.367 -0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.136 0.180 -2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.930 0.967 1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.182 -1.789 -1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.670 -0.074 3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.799 -2.830 0.062 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.040 -1.978 2.363 1.00 0.00 H new ATOM 804 N PRO A 66 3.495 0.381 1.439 1.00 0.00 N ATOM 805 CA PRO A 66 3.792 0.177 2.862 1.00 0.00 C ATOM 806 C PRO A 66 2.528 -0.003 3.699 1.00 0.00 C ATOM 807 O PRO A 66 1.805 0.960 3.958 1.00 0.00 O ATOM 808 CB PRO A 66 4.484 1.483 3.243 1.00 0.00 C ATOM 809 CG PRO A 66 3.812 2.498 2.390 1.00 0.00 C ATOM 810 CD PRO A 66 3.557 1.816 1.074 1.00 0.00 C ATOM 0 HA PRO A 66 4.383 -0.722 3.038 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.362 1.706 4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.555 1.441 3.047 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.880 2.836 2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.441 3.379 2.260 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.627 2.156 0.619 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.354 2.015 0.357 1.00 0.00 H new ATOM 818 N ALA A 67 2.262 -1.233 4.127 1.00 0.00 N ATOM 819 CA ALA A 67 1.081 -1.510 4.938 1.00 0.00 C ATOM 820 C ALA A 67 1.199 -0.856 6.309 1.00 0.00 C ATOM 821 O ALA A 67 0.230 -0.802 7.068 1.00 0.00 O ATOM 822 CB ALA A 67 0.869 -3.008 5.085 1.00 0.00 C ATOM 0 H ALA A 67 2.843 -2.048 3.928 1.00 0.00 H new ATOM 0 HA ALA A 67 0.216 -1.086 4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.017 -3.192 5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.732 -3.454 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.739 -3.453 5.567 1.00 0.00 H new ATOM 828 N ASN A 68 2.392 -0.360 6.619 1.00 0.00 N ATOM 829 CA ASN A 68 2.639 0.292 7.898 1.00 0.00 C ATOM 830 C ASN A 68 2.352 1.788 7.804 1.00 0.00 C ATOM 831 O ASN A 68 1.890 2.401 8.766 1.00 0.00 O ATOM 832 CB ASN A 68 4.087 0.049 8.345 1.00 0.00 C ATOM 833 CG ASN A 68 4.829 1.329 8.685 1.00 0.00 C ATOM 834 OD1 ASN A 68 5.055 1.635 9.855 1.00 0.00 O ATOM 835 ND2 ASN A 68 5.217 2.082 7.660 1.00 0.00 N ATOM 0 H ASN A 68 3.203 -0.398 6.001 1.00 0.00 H new ATOM 0 HA ASN A 68 1.967 -0.137 8.641 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.087 -0.606 9.216 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.622 -0.475 7.553 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.723 2.951 7.829 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.008 1.790 6.705 1.00 0.00 H new ATOM 842 N TYR A 69 2.629 2.369 6.640 1.00 0.00 N ATOM 843 CA TYR A 69 2.401 3.793 6.425 1.00 0.00 C ATOM 844 C TYR A 69 0.913 4.094 6.307 1.00 0.00 C ATOM 845 O TYR A 69 0.430 5.091 6.844 1.00 0.00 O ATOM 846 CB TYR A 69 3.131 4.268 5.170 1.00 0.00 C ATOM 847 CG TYR A 69 3.785 5.621 5.331 1.00 0.00 C ATOM 848 CD1 TYR A 69 4.811 5.812 6.247 1.00 0.00 C ATOM 849 CD2 TYR A 69 3.377 6.706 4.566 1.00 0.00 C ATOM 850 CE1 TYR A 69 5.412 7.047 6.398 1.00 0.00 C ATOM 851 CE2 TYR A 69 3.974 7.944 4.710 1.00 0.00 C ATOM 852 CZ TYR A 69 4.990 8.109 5.627 1.00 0.00 C ATOM 853 OH TYR A 69 5.587 9.340 5.774 1.00 0.00 O ATOM 0 H TYR A 69 3.011 1.876 5.833 1.00 0.00 H new ATOM 0 HA TYR A 69 2.795 4.330 7.288 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.892 3.535 4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.424 4.311 4.342 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.145 4.982 6.851 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.581 6.580 3.847 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.208 7.180 7.116 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.646 8.778 4.107 1.00 0.00 H new ATOM 0 HH TYR A 69 5.175 9.979 5.156 1.00 0.00 H new ATOM 863 N VAL A 70 0.190 3.233 5.599 1.00 0.00 N ATOM 864 CA VAL A 70 -1.245 3.423 5.416 1.00 0.00 C ATOM 865 C VAL A 70 -2.032 2.211 5.916 1.00 0.00 C ATOM 866 O VAL A 70 -1.493 1.109 6.017 1.00 0.00 O ATOM 867 CB VAL A 70 -1.588 3.695 3.934 1.00 0.00 C ATOM 868 CG1 VAL A 70 -0.409 4.346 3.228 1.00 0.00 C ATOM 869 CG2 VAL A 70 -1.997 2.415 3.220 1.00 0.00 C ATOM 0 H VAL A 70 0.570 2.402 5.145 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.533 4.293 6.006 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.435 4.380 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.666 4.531 2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.169 5.291 3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.455 3.683 3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.232 2.638 2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.177 1.698 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.875 1.991 3.708 1.00 0.00 H new ATOM 879 N ALA A 71 -3.306 2.428 6.239 1.00 0.00 N ATOM 880 CA ALA A 71 -4.160 1.352 6.741 1.00 0.00 C ATOM 881 C ALA A 71 -5.413 1.181 5.882 1.00 0.00 C ATOM 882 O ALA A 71 -5.893 2.139 5.275 1.00 0.00 O ATOM 883 CB ALA A 71 -4.543 1.619 8.189 1.00 0.00 C ATOM 0 H ALA A 71 -3.768 3.334 6.163 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.593 0.423 6.687 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.179 0.811 8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.642 1.674 8.800 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.083 2.563 8.254 1.00 0.00 H new ATOM 889 N PRO A 72 -5.955 -0.053 5.810 1.00 0.00 N ATOM 890 CA PRO A 72 -7.149 -0.353 5.011 1.00 0.00 C ATOM 891 C PRO A 72 -8.365 0.471 5.391 1.00 0.00 C ATOM 892 O PRO A 72 -8.310 1.336 6.266 1.00 0.00 O ATOM 893 CB PRO A 72 -7.410 -1.835 5.277 1.00 0.00 C ATOM 894 CG PRO A 72 -6.097 -2.374 5.707 1.00 0.00 C ATOM 895 CD PRO A 72 -5.441 -1.263 6.482 1.00 0.00 C ATOM 0 HA PRO A 72 -6.977 -0.112 3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.167 -1.972 6.049 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.772 -2.341 4.382 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.221 -3.263 6.325 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.492 -2.664 4.848 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.715 -1.288 7.537 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.354 -1.322 6.434 1.00 0.00 H new ATOM 903 N MET A 73 -9.460 0.192 4.700 1.00 0.00 N ATOM 904 CA MET A 73 -10.714 0.889 4.912 1.00 0.00 C ATOM 905 C MET A 73 -11.891 -0.054 4.692 1.00 0.00 C ATOM 906 O MET A 73 -12.282 -0.315 3.554 1.00 0.00 O ATOM 907 CB MET A 73 -10.800 2.064 3.942 1.00 0.00 C ATOM 908 CG MET A 73 -11.662 3.211 4.441 1.00 0.00 C ATOM 909 SD MET A 73 -12.341 4.204 3.099 1.00 0.00 S ATOM 910 CE MET A 73 -13.661 3.138 2.525 1.00 0.00 C ATOM 0 H MET A 73 -9.501 -0.525 3.976 1.00 0.00 H new ATOM 0 HA MET A 73 -10.754 1.254 5.938 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.794 2.436 3.747 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.198 1.710 2.991 1.00 0.00 H new ATOM 0 HG2 MET A 73 -12.479 2.812 5.042 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.068 3.849 5.095 1.00 0.00 H new ATOM 0 HE1 MET A 73 -13.571 2.996 1.448 1.00 0.00 H new ATOM 0 HE2 MET A 73 -13.592 2.172 3.026 1.00 0.00 H new ATOM 0 HE3 MET A 73 -14.624 3.597 2.751 1.00 0.00 H new ATOM 920 N MET A 74 -12.451 -0.569 5.782 1.00 0.00 N ATOM 921 CA MET A 74 -13.580 -1.487 5.689 1.00 0.00 C ATOM 922 C MET A 74 -14.864 -0.739 5.353 1.00 0.00 C ATOM 923 O MET A 74 -15.432 -0.046 6.196 1.00 0.00 O ATOM 924 CB MET A 74 -13.752 -2.259 6.997 1.00 0.00 C ATOM 925 CG MET A 74 -14.876 -3.280 6.946 1.00 0.00 C ATOM 926 SD MET A 74 -14.332 -4.941 7.386 1.00 0.00 S ATOM 927 CE MET A 74 -15.489 -5.930 6.442 1.00 0.00 C ATOM 0 H MET A 74 -12.144 -0.368 6.734 1.00 0.00 H new ATOM 0 HA MET A 74 -13.372 -2.194 4.886 1.00 0.00 H new ATOM 0 HB2 MET A 74 -12.818 -2.768 7.237 1.00 0.00 H new ATOM 0 HB3 MET A 74 -13.947 -1.554 7.805 1.00 0.00 H new ATOM 0 HG2 MET A 74 -15.672 -2.972 7.624 1.00 0.00 H new ATOM 0 HG3 MET A 74 -15.301 -3.296 5.942 1.00 0.00 H new ATOM 0 HE1 MET A 74 -15.885 -6.727 7.072 1.00 0.00 H new ATOM 0 HE2 MET A 74 -16.309 -5.300 6.096 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.979 -6.366 5.583 1.00 0.00 H new ATOM 937 N ARG A 75 -15.315 -0.888 4.112 1.00 0.00 N ATOM 938 CA ARG A 75 -16.535 -0.230 3.657 1.00 0.00 C ATOM 939 C ARG A 75 -17.596 -1.255 3.268 1.00 0.00 C ATOM 940 O ARG A 75 -18.772 -1.058 3.641 1.00 0.00 O ATOM 941 CB ARG A 75 -16.233 0.685 2.469 1.00 0.00 C ATOM 942 CG ARG A 75 -15.299 0.062 1.445 1.00 0.00 C ATOM 943 CD ARG A 75 -15.357 0.800 0.117 1.00 0.00 C ATOM 944 NE ARG A 75 -16.660 0.664 -0.527 1.00 0.00 N ATOM 945 CZ ARG A 75 -17.416 1.697 -0.888 1.00 0.00 C ATOM 946 NH1 ARG A 75 -16.999 2.937 -0.669 1.00 0.00 N ATOM 947 NH2 ARG A 75 -18.589 1.490 -1.469 1.00 0.00 N ATOM 948 OXT ARG A 75 -17.243 -2.245 2.594 1.00 0.00 O ATOM 0 H ARG A 75 -14.854 -1.459 3.403 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.922 0.370 4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -17.169 0.952 1.979 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.790 1.611 2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.278 0.076 1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -15.568 -0.983 1.294 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.141 1.856 0.279 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.583 0.415 -0.546 1.00 0.00 H new ATOM 0 HE ARG A 75 -17.010 -0.276 -0.710 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.096 3.100 -0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.581 3.727 -0.947 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -18.913 0.538 -1.640 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -19.168 2.283 -1.746 1.00 0.00 H new TER 962 ARG A 75 ATOM 963 N ALA B 76 5.009 8.217 13.497 1.00 0.00 N ATOM 964 CA ALA B 76 5.637 8.109 12.156 1.00 0.00 C ATOM 965 C ALA B 76 5.880 6.649 11.783 1.00 0.00 C ATOM 966 O ALA B 76 6.820 6.024 12.275 1.00 0.00 O ATOM 967 CB ALA B 76 6.943 8.886 12.125 1.00 0.00 C ATOM 0 HA ALA B 76 4.953 8.537 11.423 1.00 0.00 H new ATOM 0 HB1 ALA B 76 7.394 8.799 11.137 1.00 0.00 H new ATOM 0 HB2 ALA B 76 6.747 9.936 12.344 1.00 0.00 H new ATOM 0 HB3 ALA B 76 7.625 8.481 12.872 1.00 0.00 H new ATOM 975 N PRO B 77 5.032 6.081 10.906 1.00 0.00 N ATOM 976 CA PRO B 77 5.159 4.686 10.472 1.00 0.00 C ATOM 977 C PRO B 77 6.423 4.448 9.653 1.00 0.00 C ATOM 978 O PRO B 77 6.652 5.113 8.643 1.00 0.00 O ATOM 979 CB PRO B 77 3.914 4.454 9.604 1.00 0.00 C ATOM 980 CG PRO B 77 2.999 5.593 9.904 1.00 0.00 C ATOM 981 CD PRO B 77 3.885 6.746 10.270 1.00 0.00 C ATOM 0 HA PRO B 77 5.231 4.007 11.322 1.00 0.00 H new ATOM 0 HB2 PRO B 77 4.173 4.428 8.546 1.00 0.00 H new ATOM 0 HB3 PRO B 77 3.443 3.500 9.841 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.380 5.835 9.040 1.00 0.00 H new ATOM 0 HG3 PRO B 77 2.322 5.345 10.722 1.00 0.00 H new ATOM 0 HD2 PRO B 77 4.185 7.321 9.394 1.00 0.00 H new ATOM 0 HD3 PRO B 77 3.389 7.438 10.951 1.00 0.00 H new ATOM 989 N SER B 78 7.239 3.496 10.094 1.00 0.00 N ATOM 990 CA SER B 78 8.478 3.171 9.398 1.00 0.00 C ATOM 991 C SER B 78 8.363 1.839 8.676 1.00 0.00 C ATOM 992 O SER B 78 8.077 0.808 9.285 1.00 0.00 O ATOM 993 CB SER B 78 9.649 3.137 10.379 1.00 0.00 C ATOM 994 OG SER B 78 10.569 4.180 10.111 1.00 0.00 O ATOM 0 H SER B 78 7.065 2.937 10.929 1.00 0.00 H new ATOM 0 HA SER B 78 8.661 3.949 8.657 1.00 0.00 H new ATOM 0 HB2 SER B 78 9.276 3.230 11.399 1.00 0.00 H new ATOM 0 HB3 SER B 78 10.156 2.174 10.312 1.00 0.00 H new ATOM 0 HG SER B 78 11.308 4.137 10.753 1.00 0.00 H new ATOM 1000 N ILE B 79 8.582 1.875 7.369 1.00 0.00 N ATOM 1001 CA ILE B 79 8.499 0.679 6.550 1.00 0.00 C ATOM 1002 C ILE B 79 9.857 0.325 5.947 1.00 0.00 C ATOM 1003 O ILE B 79 10.584 1.194 5.463 1.00 0.00 O ATOM 1004 CB ILE B 79 7.439 0.851 5.435 1.00 0.00 C ATOM 1005 CG1 ILE B 79 6.262 -0.094 5.689 1.00 0.00 C ATOM 1006 CG2 ILE B 79 8.035 0.627 4.049 1.00 0.00 C ATOM 1007 CD1 ILE B 79 6.541 -1.542 5.338 1.00 0.00 C ATOM 0 H ILE B 79 8.819 2.723 6.854 1.00 0.00 H new ATOM 0 HA ILE B 79 8.193 -0.144 7.195 1.00 0.00 H new ATOM 0 HB ILE B 79 7.079 1.879 5.461 1.00 0.00 H new ATOM 0 HG12 ILE B 79 5.983 -0.034 6.741 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.404 0.249 5.111 1.00 0.00 H new ATOM 0 HG21 ILE B 79 7.259 0.757 3.294 1.00 0.00 H new ATOM 0 HG22 ILE B 79 8.834 1.348 3.876 1.00 0.00 H new ATOM 0 HG23 ILE B 79 8.438 -0.384 3.985 1.00 0.00 H new ATOM 0 HD11 ILE B 79 5.657 -2.144 5.548 1.00 0.00 H new ATOM 0 HD12 ILE B 79 6.789 -1.618 4.279 1.00 0.00 H new ATOM 0 HD13 ILE B 79 7.378 -1.906 5.934 1.00 0.00 H new ATOM 1019 N ASP B 80 10.186 -0.961 5.982 1.00 0.00 N ATOM 1020 CA ASP B 80 11.449 -1.449 5.440 1.00 0.00 C ATOM 1021 C ASP B 80 11.211 -2.238 4.157 1.00 0.00 C ATOM 1022 O ASP B 80 10.427 -3.186 4.137 1.00 0.00 O ATOM 1023 CB ASP B 80 12.167 -2.325 6.469 1.00 0.00 C ATOM 1024 CG ASP B 80 11.679 -2.077 7.883 1.00 0.00 C ATOM 1025 OD1 ASP B 80 11.737 -0.914 8.336 1.00 0.00 O ATOM 1026 OD2 ASP B 80 11.239 -3.045 8.537 1.00 0.00 O ATOM 0 H ASP B 80 9.593 -1.688 6.382 1.00 0.00 H new ATOM 0 HA ASP B 80 12.078 -0.589 5.209 1.00 0.00 H new ATOM 0 HB2 ASP B 80 12.018 -3.375 6.215 1.00 0.00 H new ATOM 0 HB3 ASP B 80 13.239 -2.134 6.419 1.00 0.00 H new ATOM 1031 N ARG B 81 11.886 -1.837 3.086 1.00 0.00 N ATOM 1032 CA ARG B 81 11.743 -2.503 1.795 1.00 0.00 C ATOM 1033 C ARG B 81 12.460 -3.850 1.784 1.00 0.00 C ATOM 1034 O ARG B 81 12.372 -4.602 0.813 1.00 0.00 O ATOM 1035 CB ARG B 81 12.288 -1.612 0.677 1.00 0.00 C ATOM 1036 CG ARG B 81 11.874 -0.154 0.805 1.00 0.00 C ATOM 1037 CD ARG B 81 11.933 0.563 -0.535 1.00 0.00 C ATOM 1038 NE ARG B 81 13.116 0.191 -1.306 1.00 0.00 N ATOM 1039 CZ ARG B 81 14.351 0.577 -0.999 1.00 0.00 C ATOM 1040 NH1 ARG B 81 14.567 1.344 0.063 1.00 0.00 N ATOM 1041 NH2 ARG B 81 15.373 0.197 -1.752 1.00 0.00 N ATOM 0 H ARG B 81 12.539 -1.053 3.085 1.00 0.00 H new ATOM 0 HA ARG B 81 10.681 -2.682 1.627 1.00 0.00 H new ATOM 0 HB2 ARG B 81 13.376 -1.673 0.673 1.00 0.00 H new ATOM 0 HB3 ARG B 81 11.943 -1.996 -0.283 1.00 0.00 H new ATOM 0 HG2 ARG B 81 10.862 -0.096 1.205 1.00 0.00 H new ATOM 0 HG3 ARG B 81 12.528 0.350 1.517 1.00 0.00 H new ATOM 0 HD2 ARG B 81 11.037 0.329 -1.111 1.00 0.00 H new ATOM 0 HD3 ARG B 81 11.933 1.640 -0.369 1.00 0.00 H new ATOM 0 HE ARG B 81 12.988 -0.399 -2.128 1.00 0.00 H new ATOM 0 HH11 ARG B 81 13.784 1.639 0.647 1.00 0.00 H new ATOM 0 HH12 ARG B 81 15.516 1.638 0.295 1.00 0.00 H new ATOM 0 HH21 ARG B 81 15.213 -0.393 -2.569 1.00 0.00 H new ATOM 0 HH22 ARG B 81 16.319 0.494 -1.515 1.00 0.00 H new ATOM 1055 N SER B 82 13.176 -4.146 2.864 1.00 0.00 N ATOM 1056 CA SER B 82 13.914 -5.400 2.973 1.00 0.00 C ATOM 1057 C SER B 82 12.982 -6.575 3.264 1.00 0.00 C ATOM 1058 O SER B 82 13.436 -7.706 3.439 1.00 0.00 O ATOM 1059 CB SER B 82 14.976 -5.295 4.068 1.00 0.00 C ATOM 1060 OG SER B 82 14.390 -4.974 5.318 1.00 0.00 O ATOM 0 H SER B 82 13.261 -3.535 3.676 1.00 0.00 H new ATOM 0 HA SER B 82 14.399 -5.583 2.014 1.00 0.00 H new ATOM 0 HB2 SER B 82 15.515 -6.239 4.147 1.00 0.00 H new ATOM 0 HB3 SER B 82 15.706 -4.532 3.799 1.00 0.00 H new ATOM 0 HG SER B 82 15.090 -4.914 6.002 1.00 0.00 H new ATOM 1066 N THR B 83 11.681 -6.304 3.317 1.00 0.00 N ATOM 1067 CA THR B 83 10.696 -7.346 3.589 1.00 0.00 C ATOM 1068 C THR B 83 9.571 -7.334 2.554 1.00 0.00 C ATOM 1069 O THR B 83 8.451 -7.765 2.833 1.00 0.00 O ATOM 1070 CB THR B 83 10.098 -7.195 5.002 1.00 0.00 C ATOM 1071 OG1 THR B 83 9.205 -8.282 5.278 1.00 0.00 O ATOM 1072 CG2 THR B 83 9.357 -5.875 5.140 1.00 0.00 C ATOM 0 H THR B 83 11.285 -5.375 3.176 1.00 0.00 H new ATOM 0 HA THR B 83 11.219 -8.301 3.527 1.00 0.00 H new ATOM 0 HB THR B 83 10.918 -7.209 5.720 1.00 0.00 H new ATOM 0 HG1 THR B 83 8.654 -8.461 4.488 1.00 0.00 H new ATOM 0 HG21 THR B 83 8.945 -5.793 6.146 1.00 0.00 H new ATOM 0 HG22 THR B 83 10.047 -5.050 4.962 1.00 0.00 H new ATOM 0 HG23 THR B 83 8.547 -5.834 4.411 1.00 0.00 H new ATOM 1080 N LYS B 84 9.879 -6.842 1.357 1.00 0.00 N ATOM 1081 CA LYS B 84 8.901 -6.775 0.274 1.00 0.00 C ATOM 1082 C LYS B 84 8.320 -8.159 -0.024 1.00 0.00 C ATOM 1083 O LYS B 84 8.915 -9.174 0.339 1.00 0.00 O ATOM 1084 CB LYS B 84 9.555 -6.204 -0.986 1.00 0.00 C ATOM 1085 CG LYS B 84 9.242 -4.735 -1.224 1.00 0.00 C ATOM 1086 CD LYS B 84 10.497 -3.941 -1.553 1.00 0.00 C ATOM 1087 CE LYS B 84 11.007 -4.255 -2.951 1.00 0.00 C ATOM 1088 NZ LYS B 84 12.380 -3.723 -3.174 1.00 0.00 N ATOM 0 H LYS B 84 10.801 -6.483 1.112 1.00 0.00 H new ATOM 0 HA LYS B 84 8.088 -6.121 0.588 1.00 0.00 H new ATOM 0 HB2 LYS B 84 10.635 -6.329 -0.913 1.00 0.00 H new ATOM 0 HB3 LYS B 84 9.225 -6.781 -1.850 1.00 0.00 H new ATOM 0 HG2 LYS B 84 8.527 -4.643 -2.042 1.00 0.00 H new ATOM 0 HG3 LYS B 84 8.767 -4.315 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS B 84 10.285 -2.875 -1.473 1.00 0.00 H new ATOM 0 HD3 LYS B 84 11.274 -4.167 -0.822 1.00 0.00 H new ATOM 0 HE2 LYS B 84 11.007 -5.334 -3.104 1.00 0.00 H new ATOM 0 HE3 LYS B 84 10.328 -3.828 -3.689 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 12.430 -3.272 -4.110 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 12.604 -3.022 -2.439 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 13.066 -4.503 -3.129 1.00 0.00 H new ATOM 1102 N PRO B 85 7.143 -8.221 -0.687 1.00 0.00 N ATOM 1103 CA PRO B 85 6.493 -9.492 -1.025 1.00 0.00 C ATOM 1104 C PRO B 85 7.461 -10.503 -1.627 1.00 0.00 C ATOM 1105 O PRO B 85 7.782 -10.443 -2.814 1.00 0.00 O ATOM 1106 CB PRO B 85 5.443 -9.085 -2.055 1.00 0.00 C ATOM 1107 CG PRO B 85 5.091 -7.685 -1.692 1.00 0.00 C ATOM 1108 CD PRO B 85 6.354 -7.063 -1.157 1.00 0.00 C ATOM 0 HA PRO B 85 6.083 -9.985 -0.143 1.00 0.00 H new ATOM 0 HB2 PRO B 85 5.837 -9.145 -3.069 1.00 0.00 H new ATOM 0 HB3 PRO B 85 4.571 -9.738 -2.013 1.00 0.00 H new ATOM 0 HG2 PRO B 85 4.724 -7.138 -2.560 1.00 0.00 H new ATOM 0 HG3 PRO B 85 4.299 -7.664 -0.944 1.00 0.00 H new ATOM 0 HD2 PRO B 85 6.883 -6.505 -1.929 1.00 0.00 H new ATOM 0 HD3 PRO B 85 6.144 -6.366 -0.346 1.00 0.00 H new ATOM 1116 N ALA B 86 7.922 -11.431 -0.797 1.00 0.00 N ATOM 1117 CA ALA B 86 8.853 -12.459 -1.240 1.00 0.00 C ATOM 1118 C ALA B 86 8.515 -13.809 -0.617 1.00 0.00 C ATOM 1119 O ALA B 86 7.600 -13.854 0.232 1.00 0.00 O ATOM 1120 CB ALA B 86 10.281 -12.061 -0.900 1.00 0.00 C ATOM 1121 OXT ALA B 86 9.168 -14.809 -0.981 1.00 0.00 O ATOM 0 H ALA B 86 7.665 -11.492 0.188 1.00 0.00 H new ATOM 0 HA ALA B 86 8.763 -12.554 -2.322 1.00 0.00 H new ATOM 0 HB1 ALA B 86 10.966 -12.839 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA B 86 10.525 -11.122 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA B 86 10.377 -11.936 0.179 1.00 0.00 H new TER 1127 ALA B 86