USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 788 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 82 SER OG : rot -170:sc= -0.0958 USER MOD Set 1.2: A 86 THR OG1 : rot 101:sc= -0.756 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -4.14! C(o=-4.1!,f=-5.7!) USER MOD Single : A 20 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.16) USER MOD Single : A 22 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.0035) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -58:sc= 1.11 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0438 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -160:sc= -0.238 (180deg=-0.819) USER MOD Single : A 47 LYS NZ :NH3+ -155:sc= -0.0677 (180deg=-0.387) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc=-0.00636 USER MOD Single : A 60 ASN :FLIP amide:sc= -3.11! C(o=-5.1!,f=-3.1!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -2.32 X(o=-2.3,f=-2.5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 73 SER OG : rot 13:sc= 0.737 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 76 TYR OH : rot 93:sc= 0.717 USER MOD Single : A 77 ASN : amide:sc= -0.662 K(o=-0.66,f=-1.6!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0504 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= -3.09 K(o=-3.1,f=-4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 5.726 17.654 -6.693 1.00 0.00 N ATOM 2 CA ARG A 1 6.388 16.520 -5.995 1.00 0.00 C ATOM 3 C ARG A 1 5.922 15.180 -6.553 1.00 0.00 C ATOM 4 O ARG A 1 5.066 14.516 -5.969 1.00 0.00 O ATOM 5 CB ARG A 1 6.065 16.611 -4.502 1.00 0.00 C ATOM 6 CG ARG A 1 7.188 16.119 -3.605 1.00 0.00 C ATOM 7 CD ARG A 1 7.258 16.916 -2.312 1.00 0.00 C ATOM 8 NE ARG A 1 7.610 16.076 -1.170 1.00 0.00 N ATOM 9 CZ ARG A 1 6.747 15.278 -0.543 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.484 15.210 -0.943 1.00 0.00 N ATOM 11 NH2 ARG A 1 7.149 14.547 0.488 1.00 0.00 N ATOM 0 H1 ARG A 1 6.063 18.553 -6.292 1.00 0.00 H new ATOM 0 H2 ARG A 1 5.956 17.619 -7.707 1.00 0.00 H new ATOM 0 H3 ARG A 1 4.696 17.584 -6.569 1.00 0.00 H new ATOM 0 HA ARG A 1 7.465 16.584 -6.152 1.00 0.00 H new ATOM 0 HB2 ARG A 1 5.838 17.647 -4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 1 5.166 16.029 -4.297 1.00 0.00 H new ATOM 0 HG2 ARG A 1 7.036 15.064 -3.376 1.00 0.00 H new ATOM 0 HG3 ARG A 1 8.138 16.197 -4.134 1.00 0.00 H new ATOM 0 HD2 ARG A 1 7.994 17.713 -2.417 1.00 0.00 H new ATOM 0 HD3 ARG A 1 6.296 17.394 -2.128 1.00 0.00 H new ATOM 0 HE ARG A 1 8.572 16.102 -0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.169 15.771 -1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 1 4.828 14.597 -0.459 1.00 0.00 H new ATOM 0 HH21 ARG A 1 8.119 14.596 0.801 1.00 0.00 H new ATOM 0 HH22 ARG A 1 6.488 13.936 0.968 1.00 0.00 H new ATOM 27 N ASP A 2 6.492 14.789 -7.689 1.00 0.00 N ATOM 28 CA ASP A 2 6.135 13.528 -8.328 1.00 0.00 C ATOM 29 C ASP A 2 7.260 12.508 -8.187 1.00 0.00 C ATOM 30 O ASP A 2 8.427 12.873 -8.042 1.00 0.00 O ATOM 31 CB ASP A 2 5.817 13.752 -9.807 1.00 0.00 C ATOM 32 CG ASP A 2 4.694 12.862 -10.300 1.00 0.00 C ATOM 33 OD1 ASP A 2 4.869 11.625 -10.290 1.00 0.00 O ATOM 34 OD2 ASP A 2 3.639 13.400 -10.697 1.00 0.00 O ATOM 0 H ASP A 2 7.202 15.327 -8.185 1.00 0.00 H new ATOM 0 HA ASP A 2 5.249 13.136 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.544 14.796 -9.963 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.712 13.565 -10.400 1.00 0.00 H new ATOM 39 N SER A 3 6.902 11.229 -8.231 1.00 0.00 N ATOM 40 CA SER A 3 7.883 10.157 -8.107 1.00 0.00 C ATOM 41 C SER A 3 8.608 10.232 -6.767 1.00 0.00 C ATOM 42 O SER A 3 9.430 11.121 -6.545 1.00 0.00 O ATOM 43 CB SER A 3 8.895 10.229 -9.252 1.00 0.00 C ATOM 44 OG SER A 3 8.374 9.642 -10.432 1.00 0.00 O ATOM 0 H SER A 3 5.941 10.910 -8.351 1.00 0.00 H new ATOM 0 HA SER A 3 7.352 9.206 -8.158 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.157 11.269 -9.445 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.813 9.718 -8.963 1.00 0.00 H new ATOM 0 HG SER A 3 9.039 9.703 -11.149 1.00 0.00 H new ATOM 50 N GLY A 4 8.296 9.294 -5.878 1.00 0.00 N ATOM 51 CA GLY A 4 8.927 9.273 -4.572 1.00 0.00 C ATOM 52 C GLY A 4 9.972 8.183 -4.450 1.00 0.00 C ATOM 53 O GLY A 4 9.978 7.229 -5.228 1.00 0.00 O ATOM 0 H GLY A 4 7.618 8.549 -6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.392 10.240 -4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.165 9.129 -3.806 1.00 0.00 H new ATOM 57 N THR A 5 10.860 8.324 -3.470 1.00 0.00 N ATOM 58 CA THR A 5 11.917 7.344 -3.247 1.00 0.00 C ATOM 59 C THR A 5 12.087 7.056 -1.767 1.00 0.00 C ATOM 60 O THR A 5 11.759 7.881 -0.914 1.00 0.00 O ATOM 61 CB THR A 5 13.236 7.839 -3.839 1.00 0.00 C ATOM 62 OG1 THR A 5 13.029 8.415 -5.116 1.00 0.00 O ATOM 63 CG2 THR A 5 14.269 6.744 -3.991 1.00 0.00 C ATOM 0 H THR A 5 10.868 9.108 -2.818 1.00 0.00 H new ATOM 0 HA THR A 5 11.629 6.419 -3.746 1.00 0.00 H new ATOM 0 HB THR A 5 13.612 8.577 -3.131 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.885 8.727 -5.477 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.182 7.161 -4.416 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.488 6.312 -3.014 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.882 5.968 -4.652 1.00 0.00 H new ATOM 71 N VAL A 6 12.590 5.868 -1.474 1.00 0.00 N ATOM 72 CA VAL A 6 12.795 5.442 -0.103 1.00 0.00 C ATOM 73 C VAL A 6 14.025 4.543 0.009 1.00 0.00 C ATOM 74 O VAL A 6 14.401 3.871 -0.952 1.00 0.00 O ATOM 75 CB VAL A 6 11.551 4.691 0.406 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.652 3.234 0.064 1.00 0.00 C ATOM 77 CG2 VAL A 6 11.349 4.893 1.902 1.00 0.00 C ATOM 0 H VAL A 6 12.865 5.179 -2.174 1.00 0.00 H new ATOM 0 HA VAL A 6 12.958 6.328 0.510 1.00 0.00 H new ATOM 0 HB VAL A 6 10.675 5.105 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.767 2.712 0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.722 3.118 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.541 2.811 0.532 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.462 4.349 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.220 4.520 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.220 5.955 2.112 1.00 0.00 H new ATOM 87 N TRP A 7 14.645 4.524 1.182 1.00 0.00 N ATOM 88 CA TRP A 7 15.827 3.698 1.397 1.00 0.00 C ATOM 89 C TRP A 7 15.614 2.716 2.544 1.00 0.00 C ATOM 90 O TRP A 7 15.081 3.073 3.594 1.00 0.00 O ATOM 91 CB TRP A 7 17.042 4.584 1.674 1.00 0.00 C ATOM 92 CG TRP A 7 17.318 5.558 0.569 1.00 0.00 C ATOM 93 CD1 TRP A 7 16.703 6.760 0.364 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.270 5.408 -0.488 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.217 7.368 -0.755 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.182 6.558 -1.296 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.191 4.414 -0.830 1.00 0.00 C ATOM 98 CZ2 TRP A 7 18.979 6.740 -2.423 1.00 0.00 C ATOM 99 CZ3 TRP A 7 19.982 4.595 -1.949 1.00 0.00 C ATOM 100 CH2 TRP A 7 19.872 5.750 -2.733 1.00 0.00 C ATOM 0 H TRP A 7 14.352 5.067 1.994 1.00 0.00 H new ATOM 0 HA TRP A 7 16.007 3.119 0.491 1.00 0.00 H new ATOM 0 HB2 TRP A 7 16.882 5.132 2.603 1.00 0.00 H new ATOM 0 HB3 TRP A 7 17.919 3.954 1.823 1.00 0.00 H new ATOM 0 HD1 TRP A 7 15.926 7.172 0.990 1.00 0.00 H new ATOM 0 HE1 TRP A 7 16.928 8.274 -1.123 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.283 3.520 -0.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 18.896 7.629 -3.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.697 3.833 -2.223 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.505 5.862 -3.601 1.00 0.00 H new ATOM 111 N GLY A 8 16.040 1.474 2.333 1.00 0.00 N ATOM 112 CA GLY A 8 15.891 0.449 3.361 1.00 0.00 C ATOM 113 C GLY A 8 16.968 -0.617 3.272 1.00 0.00 C ATOM 114 O GLY A 8 17.821 -0.568 2.387 1.00 0.00 O ATOM 0 H GLY A 8 16.485 1.156 1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.926 0.917 4.345 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.911 -0.019 3.265 1.00 0.00 H new ATOM 118 N ALA A 9 16.935 -1.586 4.187 1.00 0.00 N ATOM 119 CA ALA A 9 17.925 -2.657 4.188 1.00 0.00 C ATOM 120 C ALA A 9 17.258 -4.023 4.221 1.00 0.00 C ATOM 121 O ALA A 9 16.340 -4.262 5.004 1.00 0.00 O ATOM 122 CB ALA A 9 18.874 -2.511 5.364 1.00 0.00 C ATOM 0 H ALA A 9 16.239 -1.650 4.930 1.00 0.00 H new ATOM 0 HA ALA A 9 18.497 -2.578 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.604 -3.320 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.391 -1.554 5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.309 -2.554 6.295 1.00 0.00 H new ATOM 128 N LEU A 10 17.731 -4.922 3.366 1.00 0.00 N ATOM 129 CA LEU A 10 17.180 -6.273 3.294 1.00 0.00 C ATOM 130 C LEU A 10 17.180 -6.934 4.667 1.00 0.00 C ATOM 131 O LEU A 10 18.164 -6.862 5.403 1.00 0.00 O ATOM 132 CB LEU A 10 17.980 -7.119 2.302 1.00 0.00 C ATOM 133 CG LEU A 10 17.144 -8.000 1.372 1.00 0.00 C ATOM 134 CD1 LEU A 10 16.569 -7.178 0.227 1.00 0.00 C ATOM 135 CD2 LEU A 10 17.986 -9.144 0.836 1.00 0.00 C ATOM 0 H LEU A 10 18.494 -4.742 2.713 1.00 0.00 H new ATOM 0 HA LEU A 10 16.149 -6.202 2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.592 -6.454 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.664 -7.757 2.862 1.00 0.00 H new ATOM 0 HG LEU A 10 16.314 -8.416 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 10 15.978 -7.823 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 10 15.934 -6.388 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.383 -6.733 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.380 -9.764 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.833 -8.743 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.350 -9.748 1.667 1.00 0.00 H new ATOM 147 N GLY A 11 16.066 -7.573 5.005 1.00 0.00 N ATOM 148 CA GLY A 11 15.955 -8.232 6.290 1.00 0.00 C ATOM 149 C GLY A 11 15.412 -7.316 7.371 1.00 0.00 C ATOM 150 O GLY A 11 15.071 -7.773 8.461 1.00 0.00 O ATOM 0 H GLY A 11 15.239 -7.646 4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.303 -9.100 6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.936 -8.601 6.591 1.00 0.00 H new ATOM 154 N HIS A 12 15.330 -6.019 7.074 1.00 0.00 N ATOM 155 CA HIS A 12 14.825 -5.051 8.032 1.00 0.00 C ATOM 156 C HIS A 12 13.425 -4.593 7.620 1.00 0.00 C ATOM 157 O HIS A 12 12.975 -4.873 6.509 1.00 0.00 O ATOM 158 CB HIS A 12 15.814 -3.878 8.127 1.00 0.00 C ATOM 159 CG HIS A 12 15.190 -2.534 8.308 1.00 0.00 C ATOM 160 ND1 HIS A 12 14.863 -1.731 7.245 1.00 0.00 N ATOM 161 CD2 HIS A 12 14.863 -1.841 9.423 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.362 -0.591 7.693 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.351 -0.634 9.012 1.00 0.00 N ATOM 0 H HIS A 12 15.608 -5.620 6.177 1.00 0.00 H new ATOM 0 HA HIS A 12 14.739 -5.502 9.020 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.492 -4.062 8.961 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.420 -3.860 7.221 1.00 0.00 H new ATOM 0 HD2 HIS A 12 14.982 -2.174 10.444 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.021 0.233 7.084 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.017 0.108 9.627 1.00 0.00 H new ATOM 172 N GLY A 13 12.739 -3.901 8.522 1.00 0.00 N ATOM 173 CA GLY A 13 11.394 -3.431 8.226 1.00 0.00 C ATOM 174 C GLY A 13 11.385 -2.290 7.229 1.00 0.00 C ATOM 175 O GLY A 13 12.410 -1.986 6.627 1.00 0.00 O ATOM 0 H GLY A 13 13.086 -3.657 9.450 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.802 -4.257 7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.914 -3.106 9.149 1.00 0.00 H new ATOM 179 N ILE A 14 10.224 -1.658 7.062 1.00 0.00 N ATOM 180 CA ILE A 14 10.071 -0.533 6.138 1.00 0.00 C ATOM 181 C ILE A 14 8.594 -0.270 5.850 1.00 0.00 C ATOM 182 O ILE A 14 7.813 -1.202 5.634 1.00 0.00 O ATOM 183 CB ILE A 14 10.823 -0.760 4.802 1.00 0.00 C ATOM 184 CG1 ILE A 14 10.759 0.489 3.923 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.264 -1.963 4.061 1.00 0.00 C ATOM 186 CD1 ILE A 14 12.028 1.314 3.962 1.00 0.00 C ATOM 0 H ILE A 14 9.369 -1.908 7.559 1.00 0.00 H new ATOM 0 HA ILE A 14 10.512 0.335 6.628 1.00 0.00 H new ATOM 0 HB ILE A 14 11.868 -0.961 5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.559 0.191 2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.921 1.108 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.809 -2.100 3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.373 -2.854 4.679 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.208 -1.799 3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.916 2.185 3.317 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.218 1.642 4.984 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.866 0.710 3.613 1.00 0.00 H new ATOM 198 N ASP A 15 8.213 1.003 5.864 1.00 0.00 N ATOM 199 CA ASP A 15 6.830 1.389 5.615 1.00 0.00 C ATOM 200 C ASP A 15 6.721 2.264 4.369 1.00 0.00 C ATOM 201 O ASP A 15 7.444 3.250 4.225 1.00 0.00 O ATOM 202 CB ASP A 15 6.265 2.132 6.827 1.00 0.00 C ATOM 203 CG ASP A 15 4.801 2.486 6.661 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.034 1.629 6.171 1.00 0.00 O ATOM 205 OD2 ASP A 15 4.420 3.619 7.020 1.00 0.00 O ATOM 0 H ASP A 15 8.843 1.784 6.045 1.00 0.00 H new ATOM 0 HA ASP A 15 6.249 0.482 5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.387 1.515 7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.840 3.044 6.990 1.00 0.00 H new ATOM 210 N LEU A 16 5.803 1.902 3.479 1.00 0.00 N ATOM 211 CA LEU A 16 5.583 2.658 2.249 1.00 0.00 C ATOM 212 C LEU A 16 4.504 3.712 2.484 1.00 0.00 C ATOM 213 O LEU A 16 3.317 3.393 2.545 1.00 0.00 O ATOM 214 CB LEU A 16 5.162 1.709 1.113 1.00 0.00 C ATOM 215 CG LEU A 16 6.201 1.415 0.004 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.598 1.918 0.352 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.247 -0.078 -0.286 1.00 0.00 C ATOM 0 H LEU A 16 5.198 1.088 3.586 1.00 0.00 H new ATOM 0 HA LEU A 16 6.510 3.154 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.869 0.759 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.273 2.126 0.639 1.00 0.00 H new ATOM 0 HG LEU A 16 5.877 1.958 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.283 1.683 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.569 2.997 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.942 1.434 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.981 -0.274 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.528 -0.616 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.265 -0.415 -0.618 1.00 0.00 H new ATOM 229 N ASP A 17 4.923 4.965 2.644 1.00 0.00 N ATOM 230 CA ASP A 17 3.986 6.053 2.903 1.00 0.00 C ATOM 231 C ASP A 17 3.461 6.684 1.616 1.00 0.00 C ATOM 232 O ASP A 17 4.229 7.161 0.781 1.00 0.00 O ATOM 233 CB ASP A 17 4.647 7.126 3.767 1.00 0.00 C ATOM 234 CG ASP A 17 5.176 6.571 5.075 1.00 0.00 C ATOM 235 OD1 ASP A 17 4.375 6.001 5.845 1.00 0.00 O ATOM 236 OD2 ASP A 17 6.392 6.706 5.328 1.00 0.00 O ATOM 0 H ASP A 17 5.901 5.250 2.599 1.00 0.00 H new ATOM 0 HA ASP A 17 3.136 5.623 3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.466 7.582 3.211 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.925 7.916 3.976 1.00 0.00 H new ATOM 241 N ILE A 18 2.140 6.690 1.481 1.00 0.00 N ATOM 242 CA ILE A 18 1.474 7.268 0.320 1.00 0.00 C ATOM 243 C ILE A 18 1.400 8.792 0.432 1.00 0.00 C ATOM 244 O ILE A 18 0.810 9.318 1.376 1.00 0.00 O ATOM 245 CB ILE A 18 0.045 6.714 0.188 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.076 5.189 0.102 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.661 7.307 -1.027 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.144 4.604 -0.570 1.00 0.00 C ATOM 0 H ILE A 18 1.502 6.295 2.172 1.00 0.00 H new ATOM 0 HA ILE A 18 2.058 6.999 -0.560 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.518 7.002 1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.967 4.881 -0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.161 4.777 1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.669 6.899 -1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.715 8.391 -0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.104 7.056 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.058 3.518 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.037 4.883 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.219 4.989 -1.587 1.00 0.00 H new ATOM 260 N PRO A 19 1.996 9.526 -0.524 1.00 0.00 N ATOM 261 CA PRO A 19 1.985 10.994 -0.506 1.00 0.00 C ATOM 262 C PRO A 19 0.573 11.579 -0.547 1.00 0.00 C ATOM 263 O PRO A 19 -0.246 11.205 -1.386 1.00 0.00 O ATOM 264 CB PRO A 19 2.760 11.379 -1.772 1.00 0.00 C ATOM 265 CG PRO A 19 3.564 10.172 -2.114 1.00 0.00 C ATOM 266 CD PRO A 19 2.736 8.998 -1.686 1.00 0.00 C ATOM 0 HA PRO A 19 2.422 11.383 0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.083 11.645 -2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.401 12.243 -1.595 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.776 10.133 -3.182 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.524 10.182 -1.599 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.063 8.667 -2.478 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.356 8.143 -1.416 1.00 0.00 H new ATOM 274 N ASN A 20 0.312 12.516 0.362 1.00 0.00 N ATOM 275 CA ASN A 20 -0.983 13.196 0.450 1.00 0.00 C ATOM 276 C ASN A 20 -2.174 12.240 0.305 1.00 0.00 C ATOM 277 O ASN A 20 -2.942 12.338 -0.653 1.00 0.00 O ATOM 278 CB ASN A 20 -1.069 14.291 -0.614 1.00 0.00 C ATOM 279 CG ASN A 20 -2.297 15.163 -0.448 1.00 0.00 C ATOM 280 OD1 ASN A 20 -3.124 15.272 -1.355 1.00 0.00 O ATOM 281 ND2 ASN A 20 -2.423 15.792 0.714 1.00 0.00 N ATOM 0 H ASN A 20 0.990 12.826 1.058 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.043 13.631 1.447 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.175 14.913 -0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.083 13.833 -1.603 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.229 16.394 0.883 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.714 15.673 1.438 1.00 0.00 H new ATOM 288 N PHE A 21 -2.334 11.327 1.262 1.00 0.00 N ATOM 289 CA PHE A 21 -3.437 10.381 1.240 1.00 0.00 C ATOM 290 C PHE A 21 -3.969 10.143 2.652 1.00 0.00 C ATOM 291 O PHE A 21 -3.228 10.244 3.630 1.00 0.00 O ATOM 292 CB PHE A 21 -2.974 9.071 0.610 1.00 0.00 C ATOM 293 CG PHE A 21 -3.783 7.873 1.002 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.103 7.756 0.611 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.221 6.872 1.769 1.00 0.00 C ATOM 296 CE1 PHE A 21 -5.852 6.654 0.981 1.00 0.00 C ATOM 297 CE2 PHE A 21 -3.961 5.768 2.144 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.280 5.659 1.751 1.00 0.00 C ATOM 0 H PHE A 21 -1.709 11.226 2.062 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.249 10.794 0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.003 9.174 -0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.934 8.897 0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.554 8.532 0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.190 6.953 2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.883 6.571 0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.509 4.992 2.743 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.863 4.799 2.044 1.00 0.00 H new ATOM 308 N GLN A 22 -5.255 9.826 2.750 1.00 0.00 N ATOM 309 CA GLN A 22 -5.885 9.575 4.041 1.00 0.00 C ATOM 310 C GLN A 22 -6.847 8.394 3.956 1.00 0.00 C ATOM 311 O GLN A 22 -7.832 8.435 3.219 1.00 0.00 O ATOM 312 CB GLN A 22 -6.630 10.821 4.521 1.00 0.00 C ATOM 313 CG GLN A 22 -5.770 11.764 5.347 1.00 0.00 C ATOM 314 CD GLN A 22 -6.579 12.566 6.346 1.00 0.00 C ATOM 315 OE1 GLN A 22 -6.582 13.797 6.314 1.00 0.00 O ATOM 316 NE2 GLN A 22 -7.271 11.870 7.241 1.00 0.00 N ATOM 0 H GLN A 22 -5.882 9.737 1.951 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.101 9.332 4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.016 11.359 3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.491 10.513 5.115 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.012 11.188 5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.243 12.447 4.681 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.239 10.851 7.230 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.835 12.355 7.939 1.00 0.00 H new ATOM 325 N MET A 23 -6.555 7.343 4.717 1.00 0.00 N ATOM 326 CA MET A 23 -7.395 6.151 4.728 1.00 0.00 C ATOM 327 C MET A 23 -8.584 6.333 5.666 1.00 0.00 C ATOM 328 O MET A 23 -8.586 5.826 6.787 1.00 0.00 O ATOM 329 CB MET A 23 -6.577 4.931 5.153 1.00 0.00 C ATOM 330 CG MET A 23 -7.139 3.614 4.640 1.00 0.00 C ATOM 331 SD MET A 23 -6.991 2.279 5.842 1.00 0.00 S ATOM 332 CE MET A 23 -7.774 0.935 4.955 1.00 0.00 C ATOM 0 H MET A 23 -5.744 7.293 5.333 1.00 0.00 H new ATOM 0 HA MET A 23 -7.773 5.993 3.718 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.555 5.046 4.792 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.529 4.897 6.241 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.189 3.748 4.380 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.618 3.333 3.725 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.760 0.036 5.571 1.00 0.00 H new ATOM 0 HE2 MET A 23 -8.806 1.202 4.726 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.233 0.748 4.027 1.00 0.00 H new ATOM 342 N THR A 24 -9.594 7.060 5.198 1.00 0.00 N ATOM 343 CA THR A 24 -10.790 7.309 5.993 1.00 0.00 C ATOM 344 C THR A 24 -12.002 6.607 5.387 1.00 0.00 C ATOM 345 O THR A 24 -11.873 5.837 4.435 1.00 0.00 O ATOM 346 CB THR A 24 -11.055 8.811 6.095 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.391 9.349 4.829 1.00 0.00 O ATOM 348 CG2 THR A 24 -9.873 9.592 6.627 1.00 0.00 C ATOM 0 H THR A 24 -9.607 7.487 4.272 1.00 0.00 H new ATOM 0 HA THR A 24 -10.622 6.908 6.992 1.00 0.00 H new ATOM 0 HB THR A 24 -11.882 8.911 6.798 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.558 10.311 4.916 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.128 10.651 6.674 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.620 9.235 7.625 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.018 9.454 5.965 1.00 0.00 H new ATOM 356 N ASP A 25 -13.178 6.879 5.945 1.00 0.00 N ATOM 357 CA ASP A 25 -14.413 6.275 5.458 1.00 0.00 C ATOM 358 C ASP A 25 -14.633 6.596 3.983 1.00 0.00 C ATOM 359 O ASP A 25 -15.226 5.808 3.246 1.00 0.00 O ATOM 360 CB ASP A 25 -15.605 6.764 6.282 1.00 0.00 C ATOM 361 CG ASP A 25 -15.387 6.591 7.772 1.00 0.00 C ATOM 362 OD1 ASP A 25 -14.683 7.432 8.371 1.00 0.00 O ATOM 363 OD2 ASP A 25 -15.920 5.615 8.341 1.00 0.00 O ATOM 0 H ASP A 25 -13.301 7.513 6.734 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.325 5.194 5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.787 7.816 6.064 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.499 6.217 5.982 1.00 0.00 H new ATOM 368 N ASP A 26 -14.150 7.760 3.558 1.00 0.00 N ATOM 369 CA ASP A 26 -14.293 8.186 2.172 1.00 0.00 C ATOM 370 C ASP A 26 -13.591 7.215 1.227 1.00 0.00 C ATOM 371 O ASP A 26 -13.980 7.071 0.068 1.00 0.00 O ATOM 372 CB ASP A 26 -13.723 9.594 1.988 1.00 0.00 C ATOM 373 CG ASP A 26 -14.732 10.674 2.326 1.00 0.00 C ATOM 374 OD1 ASP A 26 -14.887 10.988 3.524 1.00 0.00 O ATOM 375 OD2 ASP A 26 -15.366 11.207 1.391 1.00 0.00 O ATOM 0 H ASP A 26 -13.656 8.424 4.155 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.356 8.196 1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.843 9.712 2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.394 9.718 0.956 1.00 0.00 H new ATOM 380 N ILE A 27 -12.556 6.549 1.730 1.00 0.00 N ATOM 381 CA ILE A 27 -11.803 5.594 0.938 1.00 0.00 C ATOM 382 C ILE A 27 -12.489 4.219 0.960 1.00 0.00 C ATOM 383 O ILE A 27 -12.796 3.700 2.033 1.00 0.00 O ATOM 384 CB ILE A 27 -10.364 5.468 1.480 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.651 6.823 1.408 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.583 4.415 0.711 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.725 7.479 0.044 1.00 0.00 C ATOM 0 H ILE A 27 -12.222 6.657 2.688 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.766 5.953 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.417 5.153 2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.088 7.493 2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.604 6.688 1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.572 4.346 1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.079 3.450 0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.537 4.693 -0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.199 8.433 0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.261 6.829 -0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.768 7.647 -0.223 1.00 0.00 H new ATOM 399 N ASP A 28 -12.744 3.633 -0.217 1.00 0.00 N ATOM 400 CA ASP A 28 -13.405 2.339 -0.287 1.00 0.00 C ATOM 401 C ASP A 28 -12.464 1.250 -0.790 1.00 0.00 C ATOM 402 O ASP A 28 -12.449 0.146 -0.245 1.00 0.00 O ATOM 403 CB ASP A 28 -14.632 2.425 -1.197 1.00 0.00 C ATOM 404 CG ASP A 28 -15.872 1.839 -0.548 1.00 0.00 C ATOM 405 OD1 ASP A 28 -16.004 1.948 0.689 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.712 1.272 -1.279 1.00 0.00 O ATOM 0 H ASP A 28 -12.502 4.036 -1.122 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.716 2.072 0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.818 3.468 -1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.428 1.897 -2.129 1.00 0.00 H new ATOM 411 N GLU A 29 -11.689 1.542 -1.835 1.00 0.00 N ATOM 412 CA GLU A 29 -10.779 0.538 -2.377 1.00 0.00 C ATOM 413 C GLU A 29 -9.329 1.028 -2.402 1.00 0.00 C ATOM 414 O GLU A 29 -9.014 2.032 -3.042 1.00 0.00 O ATOM 415 CB GLU A 29 -11.221 0.132 -3.784 1.00 0.00 C ATOM 416 CG GLU A 29 -10.403 -1.002 -4.376 1.00 0.00 C ATOM 417 CD GLU A 29 -10.630 -2.322 -3.664 1.00 0.00 C ATOM 418 OE1 GLU A 29 -11.481 -2.365 -2.751 1.00 0.00 O ATOM 419 OE2 GLU A 29 -9.955 -3.311 -4.018 1.00 0.00 O ATOM 0 H GLU A 29 -11.673 2.443 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.820 -0.329 -1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.269 -0.165 -3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.153 0.999 -4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.656 -1.115 -5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.345 -0.745 -4.327 1.00 0.00 H new ATOM 426 N VAL A 30 -8.450 0.296 -1.716 1.00 0.00 N ATOM 427 CA VAL A 30 -7.029 0.632 -1.671 1.00 0.00 C ATOM 428 C VAL A 30 -6.204 -0.527 -2.219 1.00 0.00 C ATOM 429 O VAL A 30 -6.190 -1.613 -1.639 1.00 0.00 O ATOM 430 CB VAL A 30 -6.552 0.956 -0.238 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.218 1.684 -0.271 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.598 1.777 0.505 1.00 0.00 C ATOM 0 H VAL A 30 -8.700 -0.536 -1.182 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.889 1.522 -2.284 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.415 0.017 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.898 1.904 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.472 1.055 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.326 2.616 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.242 1.994 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.772 2.712 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.529 1.213 0.563 1.00 0.00 H new ATOM 442 N ARG A 31 -5.538 -0.309 -3.350 1.00 0.00 N ATOM 443 CA ARG A 31 -4.740 -1.363 -3.973 1.00 0.00 C ATOM 444 C ARG A 31 -3.246 -1.055 -3.938 1.00 0.00 C ATOM 445 O ARG A 31 -2.813 0.035 -4.306 1.00 0.00 O ATOM 446 CB ARG A 31 -5.181 -1.585 -5.426 1.00 0.00 C ATOM 447 CG ARG A 31 -6.628 -1.199 -5.700 1.00 0.00 C ATOM 448 CD ARG A 31 -6.934 -1.205 -7.189 1.00 0.00 C ATOM 449 NE ARG A 31 -6.434 -2.409 -7.848 1.00 0.00 N ATOM 450 CZ ARG A 31 -6.365 -2.558 -9.168 1.00 0.00 C ATOM 451 NH1 ARG A 31 -6.762 -1.581 -9.975 1.00 0.00 N ATOM 452 NH2 ARG A 31 -5.897 -3.686 -9.684 1.00 0.00 N ATOM 0 H ARG A 31 -5.534 0.580 -3.851 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.910 -2.270 -3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.531 -1.008 -6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.042 -2.636 -5.681 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.294 -1.893 -5.188 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.825 -0.208 -5.291 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.011 -1.132 -7.338 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.488 -0.326 -7.654 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.119 -3.181 -7.261 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.122 -0.711 -9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.707 -1.701 -10.986 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.590 -4.439 -9.069 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.844 -3.800 -10.696 1.00 0.00 H new ATOM 466 N TRP A 32 -2.466 -2.049 -3.523 1.00 0.00 N ATOM 467 CA TRP A 32 -1.014 -1.932 -3.465 1.00 0.00 C ATOM 468 C TRP A 32 -0.404 -2.878 -4.491 1.00 0.00 C ATOM 469 O TRP A 32 -0.113 -4.035 -4.183 1.00 0.00 O ATOM 470 CB TRP A 32 -0.495 -2.275 -2.065 1.00 0.00 C ATOM 471 CG TRP A 32 -0.676 -1.177 -1.057 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.767 -0.955 -0.264 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.271 -0.156 -0.730 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.553 0.143 0.535 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.309 0.652 0.267 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.554 0.152 -1.185 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.354 1.749 0.815 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.210 1.242 -0.641 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.609 2.028 0.349 1.00 0.00 C ATOM 0 H TRP A 32 -2.822 -2.955 -3.219 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.729 -0.904 -3.688 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.007 -3.169 -1.708 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.565 -2.520 -2.132 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.665 -1.554 -0.265 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.213 0.518 1.217 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.026 -0.449 -1.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.107 2.357 1.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.203 1.491 -0.986 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.148 2.872 0.753 1.00 0.00 H new ATOM 490 N GLU A 33 -0.246 -2.398 -5.719 1.00 0.00 N ATOM 491 CA GLU A 33 0.291 -3.230 -6.790 1.00 0.00 C ATOM 492 C GLU A 33 1.758 -2.936 -7.076 1.00 0.00 C ATOM 493 O GLU A 33 2.221 -1.803 -6.944 1.00 0.00 O ATOM 494 CB GLU A 33 -0.530 -3.043 -8.069 1.00 0.00 C ATOM 495 CG GLU A 33 -2.001 -3.386 -7.900 1.00 0.00 C ATOM 496 CD GLU A 33 -2.826 -3.030 -9.121 1.00 0.00 C ATOM 497 OE1 GLU A 33 -2.897 -3.860 -10.053 1.00 0.00 O ATOM 498 OE2 GLU A 33 -3.400 -1.922 -9.147 1.00 0.00 O ATOM 0 H GLU A 33 -0.480 -1.445 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 33 0.222 -4.264 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.442 -2.008 -8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.108 -3.667 -8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.101 -4.452 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.396 -2.858 -7.032 1.00 0.00 H new ATOM 505 N ARG A 34 2.473 -3.978 -7.488 1.00 0.00 N ATOM 506 CA ARG A 34 3.883 -3.871 -7.825 1.00 0.00 C ATOM 507 C ARG A 34 4.173 -4.699 -9.070 1.00 0.00 C ATOM 508 O ARG A 34 4.002 -5.920 -9.066 1.00 0.00 O ATOM 509 CB ARG A 34 4.751 -4.350 -6.659 1.00 0.00 C ATOM 510 CG ARG A 34 6.243 -4.285 -6.944 1.00 0.00 C ATOM 511 CD ARG A 34 6.974 -5.484 -6.360 1.00 0.00 C ATOM 512 NE ARG A 34 7.032 -6.600 -7.299 1.00 0.00 N ATOM 513 CZ ARG A 34 7.281 -7.859 -6.941 1.00 0.00 C ATOM 514 NH1 ARG A 34 7.495 -8.163 -5.667 1.00 0.00 N ATOM 515 NH2 ARG A 34 7.314 -8.815 -7.859 1.00 0.00 N ATOM 0 H ARG A 34 2.090 -4.917 -7.597 1.00 0.00 H new ATOM 0 HA ARG A 34 4.122 -2.826 -8.023 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.531 -3.744 -5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.481 -5.377 -6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.408 -4.246 -8.021 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.655 -3.367 -6.525 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.986 -5.191 -6.082 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.473 -5.804 -5.447 1.00 0.00 H new ATOM 0 HE ARG A 34 6.873 -6.405 -8.287 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.469 -7.431 -4.957 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.685 -9.128 -5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.149 -8.587 -8.839 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.505 -9.779 -7.585 1.00 0.00 H new ATOM 529 N GLY A 35 4.585 -4.035 -10.144 1.00 0.00 N ATOM 530 CA GLY A 35 4.861 -4.743 -11.379 1.00 0.00 C ATOM 531 C GLY A 35 3.650 -5.506 -11.870 1.00 0.00 C ATOM 532 O GLY A 35 2.618 -4.914 -12.188 1.00 0.00 O ATOM 0 H GLY A 35 4.732 -3.026 -10.182 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.178 -4.033 -12.143 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.689 -5.435 -11.224 1.00 0.00 H new ATOM 536 N SER A 36 3.774 -6.821 -11.919 1.00 0.00 N ATOM 537 CA SER A 36 2.680 -7.678 -12.361 1.00 0.00 C ATOM 538 C SER A 36 2.236 -8.608 -11.235 1.00 0.00 C ATOM 539 O SER A 36 2.017 -9.801 -11.450 1.00 0.00 O ATOM 540 CB SER A 36 3.108 -8.499 -13.580 1.00 0.00 C ATOM 541 OG SER A 36 2.086 -9.398 -13.975 1.00 0.00 O ATOM 0 H SER A 36 4.623 -7.323 -11.658 1.00 0.00 H new ATOM 0 HA SER A 36 1.839 -7.043 -12.639 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.348 -7.830 -14.407 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.016 -9.055 -13.347 1.00 0.00 H new ATOM 0 HG SER A 36 1.865 -9.991 -13.227 1.00 0.00 H new ATOM 547 N THR A 37 2.113 -8.058 -10.027 1.00 0.00 N ATOM 548 CA THR A 37 1.706 -8.845 -8.868 1.00 0.00 C ATOM 549 C THR A 37 0.996 -7.976 -7.831 1.00 0.00 C ATOM 550 O THR A 37 1.152 -6.755 -7.819 1.00 0.00 O ATOM 551 CB THR A 37 2.934 -9.505 -8.236 1.00 0.00 C ATOM 552 OG1 THR A 37 3.571 -10.367 -9.162 1.00 0.00 O ATOM 553 CG2 THR A 37 2.622 -10.315 -6.995 1.00 0.00 C ATOM 0 H THR A 37 2.289 -7.073 -9.828 1.00 0.00 H new ATOM 0 HA THR A 37 1.008 -9.612 -9.204 1.00 0.00 H new ATOM 0 HB THR A 37 3.583 -8.678 -7.949 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.354 -10.778 -8.741 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.541 -10.751 -6.605 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.179 -9.667 -6.239 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.921 -11.111 -7.247 1.00 0.00 H new ATOM 561 N LEU A 38 0.236 -8.618 -6.944 1.00 0.00 N ATOM 562 CA LEU A 38 -0.471 -7.900 -5.886 1.00 0.00 C ATOM 563 C LEU A 38 0.283 -8.049 -4.576 1.00 0.00 C ATOM 564 O LEU A 38 0.891 -9.088 -4.314 1.00 0.00 O ATOM 565 CB LEU A 38 -1.903 -8.422 -5.696 1.00 0.00 C ATOM 566 CG LEU A 38 -3.016 -7.565 -6.310 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.368 -8.196 -6.017 1.00 0.00 C ATOM 568 CD2 LEU A 38 -2.957 -6.146 -5.766 1.00 0.00 C ATOM 0 H LEU A 38 0.095 -9.628 -6.937 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.525 -6.852 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.964 -9.423 -6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.094 -8.520 -4.627 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.875 -7.518 -7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.157 -7.585 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.403 -9.197 -6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.514 -8.259 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.754 -5.552 -6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.082 -6.166 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.992 -5.702 -6.012 1.00 0.00 H new ATOM 580 N VAL A 39 0.235 -7.018 -3.752 1.00 0.00 N ATOM 581 CA VAL A 39 0.908 -7.048 -2.470 1.00 0.00 C ATOM 582 C VAL A 39 -0.105 -6.900 -1.340 1.00 0.00 C ATOM 583 O VAL A 39 -0.042 -7.610 -0.335 1.00 0.00 O ATOM 584 CB VAL A 39 1.973 -5.937 -2.379 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.487 -5.793 -0.956 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.121 -6.228 -3.342 1.00 0.00 C ATOM 0 H VAL A 39 -0.264 -6.150 -3.949 1.00 0.00 H new ATOM 0 HA VAL A 39 1.411 -8.010 -2.372 1.00 0.00 H new ATOM 0 HB VAL A 39 1.511 -4.992 -2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.237 -5.003 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.659 -5.539 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.934 -6.733 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.867 -5.437 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.579 -7.183 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.738 -6.273 -4.362 1.00 0.00 H new ATOM 596 N ALA A 40 -1.047 -5.984 -1.524 1.00 0.00 N ATOM 597 CA ALA A 40 -2.085 -5.750 -0.528 1.00 0.00 C ATOM 598 C ALA A 40 -3.222 -4.904 -1.091 1.00 0.00 C ATOM 599 O ALA A 40 -3.060 -3.710 -1.346 1.00 0.00 O ATOM 600 CB ALA A 40 -1.498 -5.088 0.708 1.00 0.00 C ATOM 0 H ALA A 40 -1.114 -5.392 -2.352 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.497 -6.720 -0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.287 -4.921 1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.734 -5.735 1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.051 -4.133 0.432 1.00 0.00 H new ATOM 606 N GLU A 41 -4.375 -5.532 -1.274 1.00 0.00 N ATOM 607 CA GLU A 41 -5.550 -4.846 -1.800 1.00 0.00 C ATOM 608 C GLU A 41 -6.697 -4.891 -0.797 1.00 0.00 C ATOM 609 O GLU A 41 -7.137 -5.965 -0.391 1.00 0.00 O ATOM 610 CB GLU A 41 -5.985 -5.474 -3.126 1.00 0.00 C ATOM 611 CG GLU A 41 -5.927 -4.510 -4.297 1.00 0.00 C ATOM 612 CD GLU A 41 -6.246 -5.179 -5.620 1.00 0.00 C ATOM 613 OE1 GLU A 41 -6.955 -6.206 -5.609 1.00 0.00 O ATOM 614 OE2 GLU A 41 -5.787 -4.674 -6.666 1.00 0.00 O ATOM 0 H GLU A 41 -4.523 -6.519 -1.065 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.285 -3.803 -1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.348 -6.332 -3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.003 -5.850 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.631 -3.695 -4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.933 -4.067 -4.349 1.00 0.00 H new ATOM 621 N PHE A 42 -7.174 -3.716 -0.402 1.00 0.00 N ATOM 622 CA PHE A 42 -8.269 -3.617 0.554 1.00 0.00 C ATOM 623 C PHE A 42 -9.580 -3.271 -0.148 1.00 0.00 C ATOM 624 O PHE A 42 -9.591 -2.545 -1.142 1.00 0.00 O ATOM 625 CB PHE A 42 -7.945 -2.562 1.616 1.00 0.00 C ATOM 626 CG PHE A 42 -9.102 -2.239 2.520 1.00 0.00 C ATOM 627 CD1 PHE A 42 -10.015 -1.258 2.168 1.00 0.00 C ATOM 628 CD2 PHE A 42 -9.276 -2.914 3.717 1.00 0.00 C ATOM 629 CE1 PHE A 42 -11.081 -0.957 2.992 1.00 0.00 C ATOM 630 CE2 PHE A 42 -10.342 -2.617 4.547 1.00 0.00 C ATOM 631 CZ PHE A 42 -11.245 -1.638 4.183 1.00 0.00 C ATOM 0 H PHE A 42 -6.819 -2.818 -0.730 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.389 -4.587 1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.109 -2.913 2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.617 -1.649 1.120 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.891 -0.723 1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.572 -3.680 4.005 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.786 -0.190 2.706 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.468 -3.150 5.478 1.00 0.00 H new ATOM 0 HZ PHE A 42 -12.079 -1.405 4.829 1.00 0.00 H new ATOM 641 N LYS A 43 -10.680 -3.793 0.383 1.00 0.00 N ATOM 642 CA LYS A 43 -12.001 -3.542 -0.182 1.00 0.00 C ATOM 643 C LYS A 43 -13.077 -3.654 0.893 1.00 0.00 C ATOM 644 O LYS A 43 -13.262 -4.716 1.487 1.00 0.00 O ATOM 645 CB LYS A 43 -12.292 -4.530 -1.315 1.00 0.00 C ATOM 646 CG LYS A 43 -13.548 -4.196 -2.104 1.00 0.00 C ATOM 647 CD LYS A 43 -13.627 -5.002 -3.390 1.00 0.00 C ATOM 648 CE LYS A 43 -14.996 -4.880 -4.040 1.00 0.00 C ATOM 649 NZ LYS A 43 -15.165 -3.575 -4.738 1.00 0.00 N ATOM 0 H LYS A 43 -10.683 -4.395 1.207 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.013 -2.528 -0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.440 -4.552 -1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.391 -5.532 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.428 -4.397 -1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.559 -3.132 -2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.861 -4.657 -4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.416 -6.050 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.133 -5.693 -4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.770 -4.988 -3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.111 -3.531 -5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.059 -2.799 -4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.443 -3.482 -5.481 1.00 0.00 H new ATOM 663 N ARG A 44 -13.781 -2.553 1.142 1.00 0.00 N ATOM 664 CA ARG A 44 -14.834 -2.535 2.152 1.00 0.00 C ATOM 665 C ARG A 44 -15.868 -3.610 1.888 1.00 0.00 C ATOM 666 O ARG A 44 -16.140 -4.469 2.726 1.00 0.00 O ATOM 667 CB ARG A 44 -15.501 -1.159 2.203 1.00 0.00 C ATOM 668 CG ARG A 44 -16.585 -1.047 3.265 1.00 0.00 C ATOM 669 CD ARG A 44 -16.426 0.217 4.093 1.00 0.00 C ATOM 670 NE ARG A 44 -15.085 0.333 4.663 1.00 0.00 N ATOM 671 CZ ARG A 44 -14.697 -0.283 5.777 1.00 0.00 C ATOM 672 NH1 ARG A 44 -15.539 -1.064 6.442 1.00 0.00 N ATOM 673 NH2 ARG A 44 -13.460 -0.120 6.226 1.00 0.00 N ATOM 0 H ARG A 44 -13.642 -1.665 0.660 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.374 -2.741 3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.740 -0.402 2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.935 -0.938 1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.565 -1.049 2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.547 -1.918 3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.631 1.087 3.469 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -17.163 0.219 4.896 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.407 0.921 4.178 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.491 -1.196 6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.234 -1.533 7.295 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.807 0.477 5.718 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.161 -0.591 7.080 1.00 0.00 H new ATOM 687 N LYS A 45 -16.426 -3.545 0.711 1.00 0.00 N ATOM 688 CA LYS A 45 -17.444 -4.497 0.277 1.00 0.00 C ATOM 689 C LYS A 45 -16.810 -5.785 -0.240 1.00 0.00 C ATOM 690 O LYS A 45 -17.188 -6.294 -1.297 1.00 0.00 O ATOM 691 CB LYS A 45 -18.322 -3.873 -0.810 1.00 0.00 C ATOM 692 CG LYS A 45 -19.440 -3.000 -0.264 1.00 0.00 C ATOM 693 CD LYS A 45 -20.213 -2.320 -1.381 1.00 0.00 C ATOM 694 CE LYS A 45 -21.696 -2.232 -1.061 1.00 0.00 C ATOM 695 NZ LYS A 45 -22.462 -3.358 -1.662 1.00 0.00 N ATOM 0 H LYS A 45 -16.197 -2.835 0.016 1.00 0.00 H new ATOM 0 HA LYS A 45 -18.063 -4.745 1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.696 -3.275 -1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.756 -4.669 -1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.120 -3.609 0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.021 -2.245 0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -19.815 -1.318 -1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -20.073 -2.872 -2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.835 -2.235 0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.092 -1.286 -1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.469 -3.261 -1.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.351 -3.341 -2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -22.102 -4.260 -1.290 1.00 0.00 H new ATOM 709 N MET A 46 -15.844 -6.311 0.509 1.00 0.00 N ATOM 710 CA MET A 46 -15.158 -7.537 0.125 1.00 0.00 C ATOM 711 C MET A 46 -14.037 -7.867 1.106 1.00 0.00 C ATOM 712 O MET A 46 -13.893 -7.219 2.142 1.00 0.00 O ATOM 713 CB MET A 46 -14.592 -7.400 -1.287 1.00 0.00 C ATOM 714 CG MET A 46 -15.264 -8.312 -2.297 1.00 0.00 C ATOM 715 SD MET A 46 -14.259 -9.751 -2.714 1.00 0.00 S ATOM 716 CE MET A 46 -12.849 -8.966 -3.490 1.00 0.00 C ATOM 0 H MET A 46 -15.520 -5.905 1.387 1.00 0.00 H new ATOM 0 HA MET A 46 -15.881 -8.352 0.145 1.00 0.00 H new ATOM 0 HB2 MET A 46 -14.699 -6.366 -1.615 1.00 0.00 H new ATOM 0 HB3 MET A 46 -13.524 -7.618 -1.265 1.00 0.00 H new ATOM 0 HG2 MET A 46 -16.222 -8.646 -1.898 1.00 0.00 H new ATOM 0 HG3 MET A 46 -15.477 -7.747 -3.205 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.321 -9.694 -4.107 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.190 -8.141 -4.115 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.176 -8.585 -2.722 1.00 0.00 H new ATOM 726 N LYS A 47 -13.243 -8.879 0.767 1.00 0.00 N ATOM 727 CA LYS A 47 -12.131 -9.295 1.612 1.00 0.00 C ATOM 728 C LYS A 47 -10.802 -8.830 1.021 1.00 0.00 C ATOM 729 O LYS A 47 -10.622 -8.834 -0.197 1.00 0.00 O ATOM 730 CB LYS A 47 -12.125 -10.817 1.774 1.00 0.00 C ATOM 731 CG LYS A 47 -13.028 -11.312 2.893 1.00 0.00 C ATOM 732 CD LYS A 47 -12.443 -12.535 3.579 1.00 0.00 C ATOM 733 CE LYS A 47 -12.800 -12.569 5.057 1.00 0.00 C ATOM 734 NZ LYS A 47 -12.144 -11.467 5.812 1.00 0.00 N ATOM 0 H LYS A 47 -13.350 -9.425 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.258 -8.835 2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.438 -11.275 0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.105 -11.150 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.172 -10.517 3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.011 -11.555 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.813 -13.438 3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.359 -12.534 3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.881 -12.494 5.171 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.501 -13.528 5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.047 -11.740 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.203 -11.283 5.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.724 -10.606 5.744 1.00 0.00 H new ATOM 748 N PRO A 48 -9.850 -8.414 1.875 1.00 0.00 N ATOM 749 CA PRO A 48 -8.540 -7.940 1.422 1.00 0.00 C ATOM 750 C PRO A 48 -7.634 -9.074 0.950 1.00 0.00 C ATOM 751 O PRO A 48 -7.789 -10.222 1.365 1.00 0.00 O ATOM 752 CB PRO A 48 -7.958 -7.272 2.668 1.00 0.00 C ATOM 753 CG PRO A 48 -8.601 -7.977 3.812 1.00 0.00 C ATOM 754 CD PRO A 48 -9.978 -8.368 3.345 1.00 0.00 C ATOM 0 HA PRO A 48 -8.624 -7.276 0.562 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -6.873 -7.372 2.701 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.180 -6.205 2.685 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.024 -8.855 4.102 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.656 -7.329 4.687 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.279 -9.334 3.751 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.728 -7.642 3.659 1.00 0.00 H new ATOM 762 N PHE A 49 -6.686 -8.737 0.081 1.00 0.00 N ATOM 763 CA PHE A 49 -5.746 -9.719 -0.453 1.00 0.00 C ATOM 764 C PHE A 49 -4.326 -9.441 0.031 1.00 0.00 C ATOM 765 O PHE A 49 -3.638 -8.574 -0.506 1.00 0.00 O ATOM 766 CB PHE A 49 -5.772 -9.719 -1.987 1.00 0.00 C ATOM 767 CG PHE A 49 -4.645 -10.505 -2.606 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.771 -11.868 -2.820 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.456 -9.882 -2.965 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.736 -12.595 -3.380 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.421 -10.604 -3.522 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.560 -11.962 -3.730 1.00 0.00 C ATOM 0 H PHE A 49 -6.548 -7.789 -0.270 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.056 -10.699 -0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.722 -10.132 -2.327 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.726 -8.690 -2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.688 -12.369 -2.546 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.341 -8.820 -2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.848 -13.657 -3.543 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.502 -10.107 -3.795 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.750 -12.528 -4.166 1.00 0.00 H new ATOM 782 N LEU A 50 -3.888 -10.190 1.034 1.00 0.00 N ATOM 783 CA LEU A 50 -2.549 -10.031 1.572 1.00 0.00 C ATOM 784 C LEU A 50 -1.593 -11.014 0.898 1.00 0.00 C ATOM 785 O LEU A 50 -1.695 -12.224 1.097 1.00 0.00 O ATOM 786 CB LEU A 50 -2.561 -10.264 3.084 1.00 0.00 C ATOM 787 CG LEU A 50 -2.716 -9.003 3.937 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.668 -9.351 5.417 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.636 -7.990 3.590 1.00 0.00 C ATOM 0 H LEU A 50 -4.443 -10.914 1.490 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.207 -9.015 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.376 -10.948 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.633 -10.762 3.366 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.687 -8.557 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.780 -8.442 6.008 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.478 -10.041 5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.712 -9.820 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.761 -7.099 4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.655 -8.426 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.717 -7.718 2.538 1.00 0.00 H new ATOM 801 N LYS A 51 -0.670 -10.491 0.090 1.00 0.00 N ATOM 802 CA LYS A 51 0.293 -11.332 -0.620 1.00 0.00 C ATOM 803 C LYS A 51 0.906 -12.383 0.305 1.00 0.00 C ATOM 804 O LYS A 51 1.158 -13.514 -0.109 1.00 0.00 O ATOM 805 CB LYS A 51 1.397 -10.469 -1.234 1.00 0.00 C ATOM 806 CG LYS A 51 2.473 -11.271 -1.949 1.00 0.00 C ATOM 807 CD LYS A 51 3.591 -10.373 -2.457 1.00 0.00 C ATOM 808 CE LYS A 51 4.690 -11.179 -3.128 1.00 0.00 C ATOM 809 NZ LYS A 51 6.037 -10.591 -2.886 1.00 0.00 N ATOM 0 H LYS A 51 -0.569 -9.492 -0.089 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.242 -11.852 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.949 -9.769 -1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.862 -9.875 -0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.884 -12.017 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.030 -11.812 -2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.185 -9.650 -3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.010 -9.806 -1.626 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.669 -12.203 -2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.502 -11.227 -4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.759 -11.170 -3.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.066 -9.623 -3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.228 -10.569 -1.864 1.00 0.00 H new ATOM 823 N SER A 52 1.140 -12.004 1.557 1.00 0.00 N ATOM 824 CA SER A 52 1.721 -12.918 2.533 1.00 0.00 C ATOM 825 C SER A 52 1.859 -12.253 3.898 1.00 0.00 C ATOM 826 O SER A 52 1.773 -11.031 4.018 1.00 0.00 O ATOM 827 CB SER A 52 3.089 -13.408 2.054 1.00 0.00 C ATOM 828 OG SER A 52 3.782 -12.385 1.358 1.00 0.00 O ATOM 0 H SER A 52 0.937 -11.072 1.919 1.00 0.00 H new ATOM 0 HA SER A 52 1.049 -13.770 2.633 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.681 -13.736 2.908 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.962 -14.273 1.403 1.00 0.00 H new ATOM 0 HG SER A 52 4.654 -12.722 1.064 1.00 0.00 H new ATOM 834 N GLY A 53 2.067 -13.070 4.926 1.00 0.00 N ATOM 835 CA GLY A 53 2.209 -12.542 6.280 1.00 0.00 C ATOM 836 C GLY A 53 3.345 -11.534 6.414 1.00 0.00 C ATOM 837 O GLY A 53 3.464 -10.875 7.447 1.00 0.00 O ATOM 0 H GLY A 53 2.140 -14.085 4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.274 -12.068 6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.382 -13.368 6.969 1.00 0.00 H new ATOM 841 N ALA A 54 4.190 -11.408 5.381 1.00 0.00 N ATOM 842 CA ALA A 54 5.308 -10.472 5.428 1.00 0.00 C ATOM 843 C ALA A 54 4.857 -9.024 5.237 1.00 0.00 C ATOM 844 O ALA A 54 5.683 -8.112 5.205 1.00 0.00 O ATOM 845 CB ALA A 54 6.348 -10.841 4.380 1.00 0.00 C ATOM 0 H ALA A 54 4.117 -11.939 4.513 1.00 0.00 H new ATOM 0 HA ALA A 54 5.752 -10.546 6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.177 -10.135 4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.718 -11.848 4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.895 -10.805 3.389 1.00 0.00 H new ATOM 851 N PHE A 55 3.551 -8.813 5.116 1.00 0.00 N ATOM 852 CA PHE A 55 3.013 -7.470 4.935 1.00 0.00 C ATOM 853 C PHE A 55 1.850 -7.210 5.881 1.00 0.00 C ATOM 854 O PHE A 55 1.189 -8.138 6.346 1.00 0.00 O ATOM 855 CB PHE A 55 2.545 -7.261 3.495 1.00 0.00 C ATOM 856 CG PHE A 55 3.601 -7.536 2.467 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.564 -6.586 2.187 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.626 -8.737 1.778 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.536 -6.823 1.238 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.597 -8.982 0.825 1.00 0.00 C ATOM 861 CZ PHE A 55 5.554 -8.023 0.554 1.00 0.00 C ATOM 0 H PHE A 55 2.848 -9.552 5.140 1.00 0.00 H new ATOM 0 HA PHE A 55 3.816 -6.768 5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.689 -7.908 3.304 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.200 -6.233 3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.556 -5.646 2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.880 -9.489 1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.283 -6.071 1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.608 -9.922 0.293 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.314 -8.211 -0.190 1.00 0.00 H new ATOM 871 N GLU A 56 1.601 -5.935 6.149 1.00 0.00 N ATOM 872 CA GLU A 56 0.512 -5.532 7.024 1.00 0.00 C ATOM 873 C GLU A 56 0.003 -4.149 6.635 1.00 0.00 C ATOM 874 O GLU A 56 0.737 -3.162 6.713 1.00 0.00 O ATOM 875 CB GLU A 56 0.970 -5.533 8.484 1.00 0.00 C ATOM 876 CG GLU A 56 -0.127 -5.916 9.465 1.00 0.00 C ATOM 877 CD GLU A 56 -0.121 -7.394 9.799 1.00 0.00 C ATOM 878 OE1 GLU A 56 0.628 -7.793 10.716 1.00 0.00 O ATOM 879 OE2 GLU A 56 -0.863 -8.154 9.142 1.00 0.00 O ATOM 0 H GLU A 56 2.143 -5.159 5.769 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.302 -6.249 6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.803 -6.227 8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.345 -4.542 8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.006 -5.340 10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.096 -5.646 9.044 1.00 0.00 H new ATOM 886 N ILE A 57 -1.252 -4.086 6.206 1.00 0.00 N ATOM 887 CA ILE A 57 -1.855 -2.824 5.795 1.00 0.00 C ATOM 888 C ILE A 57 -2.176 -1.944 7.001 1.00 0.00 C ATOM 889 O ILE A 57 -3.192 -2.130 7.672 1.00 0.00 O ATOM 890 CB ILE A 57 -3.139 -3.053 4.967 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.671 -1.721 4.433 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.204 -3.763 5.794 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.493 -1.861 3.170 1.00 0.00 C ATOM 0 H ILE A 57 -1.871 -4.893 6.134 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.123 -2.313 5.170 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.889 -3.694 4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.280 -1.248 5.203 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.830 -1.055 4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.097 -3.912 5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.824 -4.730 6.123 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.454 -3.156 6.664 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.837 -0.878 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.881 -2.305 2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.354 -2.501 3.365 1.00 0.00 H new ATOM 905 N LEU A 58 -1.297 -0.985 7.273 1.00 0.00 N ATOM 906 CA LEU A 58 -1.477 -0.070 8.398 1.00 0.00 C ATOM 907 C LEU A 58 -2.884 0.525 8.405 1.00 0.00 C ATOM 908 O LEU A 58 -3.615 0.430 7.419 1.00 0.00 O ATOM 909 CB LEU A 58 -0.432 1.049 8.338 1.00 0.00 C ATOM 910 CG LEU A 58 0.579 1.060 9.488 1.00 0.00 C ATOM 911 CD1 LEU A 58 1.137 -0.334 9.730 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.703 2.042 9.194 1.00 0.00 C ATOM 0 H LEU A 58 -0.450 -0.820 6.729 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.344 -0.636 9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.113 0.965 7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.950 2.008 8.322 1.00 0.00 H new ATOM 0 HG LEU A 58 0.065 1.381 10.394 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.853 -0.302 10.551 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.323 -1.013 9.985 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.636 -0.688 8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.414 2.039 10.020 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.212 1.748 8.276 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.289 3.043 9.075 1.00 0.00 H new ATOM 924 N ALA A 59 -3.257 1.132 9.527 1.00 0.00 N ATOM 925 CA ALA A 59 -4.576 1.738 9.669 1.00 0.00 C ATOM 926 C ALA A 59 -4.736 2.954 8.759 1.00 0.00 C ATOM 927 O ALA A 59 -5.854 3.333 8.409 1.00 0.00 O ATOM 928 CB ALA A 59 -4.821 2.129 11.118 1.00 0.00 C ATOM 0 H ALA A 59 -2.664 1.217 10.352 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.317 0.998 9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.809 2.580 11.211 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.767 1.242 11.749 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.063 2.846 11.435 1.00 0.00 H new ATOM 934 N ASN A 60 -3.617 3.566 8.381 1.00 0.00 N ATOM 935 CA ASN A 60 -3.646 4.740 7.516 1.00 0.00 C ATOM 936 C ASN A 60 -3.430 4.354 6.054 1.00 0.00 C ATOM 937 O ASN A 60 -2.839 5.112 5.285 1.00 0.00 O ATOM 938 CB ASN A 60 -2.581 5.749 7.952 1.00 0.00 C ATOM 939 CG ASN A 60 -1.173 5.205 7.813 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.727 4.454 8.813 1.00 0.00 O flip ATOM 941 ND2 ASN A 60 -0.494 5.457 6.818 1.00 0.00 N flip ATOM 0 H ASN A 60 -2.682 3.269 8.660 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.631 5.198 7.607 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.677 6.655 7.354 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.757 6.032 8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.877 6.039 6.073 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.452 5.084 6.738 1.00 0.00 H new ATOM 948 N GLY A 61 -3.913 3.174 5.678 1.00 0.00 N ATOM 949 CA GLY A 61 -3.763 2.713 4.310 1.00 0.00 C ATOM 950 C GLY A 61 -2.311 2.640 3.875 1.00 0.00 C ATOM 951 O GLY A 61 -1.990 2.895 2.715 1.00 0.00 O ATOM 0 H GLY A 61 -4.405 2.529 6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.218 1.728 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.305 3.383 3.643 1.00 0.00 H new ATOM 955 N ASP A 62 -1.433 2.288 4.809 1.00 0.00 N ATOM 956 CA ASP A 62 -0.007 2.181 4.512 1.00 0.00 C ATOM 957 C ASP A 62 0.416 0.719 4.395 1.00 0.00 C ATOM 958 O ASP A 62 -0.357 -0.189 4.700 1.00 0.00 O ATOM 959 CB ASP A 62 0.821 2.886 5.593 1.00 0.00 C ATOM 960 CG ASP A 62 1.770 3.915 5.012 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.293 4.986 4.583 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.990 3.649 4.986 1.00 0.00 O ATOM 0 H ASP A 62 -1.682 2.073 5.775 1.00 0.00 H new ATOM 0 HA ASP A 62 0.176 2.670 3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.150 3.373 6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.391 2.144 6.152 1.00 0.00 H new ATOM 967 N LEU A 63 1.650 0.499 3.948 1.00 0.00 N ATOM 968 CA LEU A 63 2.178 -0.860 3.786 1.00 0.00 C ATOM 969 C LEU A 63 3.305 -1.128 4.779 1.00 0.00 C ATOM 970 O LEU A 63 4.307 -0.414 4.797 1.00 0.00 O ATOM 971 CB LEU A 63 2.703 -1.049 2.363 1.00 0.00 C ATOM 972 CG LEU A 63 2.917 -2.499 1.933 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.596 -3.156 1.564 1.00 0.00 C ATOM 974 CD2 LEU A 63 3.883 -2.554 0.762 1.00 0.00 C ATOM 0 H LEU A 63 2.304 1.239 3.691 1.00 0.00 H new ATOM 0 HA LEU A 63 1.368 -1.564 3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.003 -0.581 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.649 -0.516 2.269 1.00 0.00 H new ATOM 0 HG LEU A 63 3.344 -3.050 2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.775 -4.188 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.929 -3.141 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.136 -2.611 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.031 -3.591 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.473 -1.988 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.839 -2.122 1.058 1.00 0.00 H new ATOM 986 N LYS A 64 3.142 -2.161 5.602 1.00 0.00 N ATOM 987 CA LYS A 64 4.158 -2.511 6.586 1.00 0.00 C ATOM 988 C LYS A 64 4.867 -3.806 6.201 1.00 0.00 C ATOM 989 O LYS A 64 4.284 -4.889 6.278 1.00 0.00 O ATOM 990 CB LYS A 64 3.526 -2.656 7.972 1.00 0.00 C ATOM 991 CG LYS A 64 4.526 -2.997 9.065 1.00 0.00 C ATOM 992 CD LYS A 64 4.148 -2.348 10.387 1.00 0.00 C ATOM 993 CE LYS A 64 5.369 -2.118 11.263 1.00 0.00 C ATOM 994 NZ LYS A 64 5.098 -1.132 12.346 1.00 0.00 N ATOM 0 H LYS A 64 2.321 -2.766 5.606 1.00 0.00 H new ATOM 0 HA LYS A 64 4.895 -1.708 6.611 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.021 -1.725 8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.763 -3.433 7.934 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.575 -4.079 9.190 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.520 -2.665 8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.650 -1.397 10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.435 -2.982 10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.683 -3.064 11.704 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.196 -1.763 10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.955 -1.003 12.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.823 -0.221 11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.326 -1.482 12.949 1.00 0.00 H new ATOM 1008 N ILE A 65 6.127 -3.690 5.788 1.00 0.00 N ATOM 1009 CA ILE A 65 6.913 -4.857 5.398 1.00 0.00 C ATOM 1010 C ILE A 65 7.601 -5.469 6.619 1.00 0.00 C ATOM 1011 O ILE A 65 8.060 -4.748 7.505 1.00 0.00 O ATOM 1012 CB ILE A 65 7.975 -4.499 4.338 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.424 -3.444 3.363 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.423 -5.753 3.598 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.317 -3.184 2.165 1.00 0.00 C ATOM 0 H ILE A 65 6.624 -2.802 5.715 1.00 0.00 H new ATOM 0 HA ILE A 65 6.224 -5.582 4.964 1.00 0.00 H new ATOM 0 HB ILE A 65 8.845 -4.072 4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.445 -3.767 3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.276 -2.508 3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.173 -5.487 2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.852 -6.461 4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.566 -6.210 3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.859 -2.429 1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.289 -2.829 2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.446 -4.107 1.600 1.00 0.00 H new ATOM 1027 N LYS A 66 7.651 -6.797 6.673 1.00 0.00 N ATOM 1028 CA LYS A 66 8.263 -7.493 7.805 1.00 0.00 C ATOM 1029 C LYS A 66 9.769 -7.654 7.633 1.00 0.00 C ATOM 1030 O LYS A 66 10.548 -7.324 8.526 1.00 0.00 O ATOM 1031 CB LYS A 66 7.614 -8.865 7.994 1.00 0.00 C ATOM 1032 CG LYS A 66 8.157 -9.637 9.187 1.00 0.00 C ATOM 1033 CD LYS A 66 7.839 -11.120 9.082 1.00 0.00 C ATOM 1034 CE LYS A 66 7.779 -11.774 10.453 1.00 0.00 C ATOM 1035 NZ LYS A 66 8.336 -13.155 10.434 1.00 0.00 N ATOM 0 H LYS A 66 7.277 -7.412 5.950 1.00 0.00 H new ATOM 0 HA LYS A 66 8.094 -6.881 8.691 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.539 -8.735 8.115 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.764 -9.456 7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.236 -9.499 9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.730 -9.236 10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.885 -11.254 8.572 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.597 -11.614 8.475 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.335 -11.168 11.169 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.745 -11.804 10.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.277 -13.566 11.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.790 -13.740 9.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.331 -13.124 10.131 1.00 0.00 H new ATOM 1049 N ASN A 67 10.165 -8.169 6.484 1.00 0.00 N ATOM 1050 CA ASN A 67 11.573 -8.389 6.182 1.00 0.00 C ATOM 1051 C ASN A 67 11.862 -8.066 4.723 1.00 0.00 C ATOM 1052 O ASN A 67 11.415 -8.770 3.818 1.00 0.00 O ATOM 1053 CB ASN A 67 11.963 -9.836 6.490 1.00 0.00 C ATOM 1054 CG ASN A 67 13.079 -9.930 7.511 1.00 0.00 C ATOM 1055 OD1 ASN A 67 13.062 -9.244 8.533 1.00 0.00 O ATOM 1056 ND2 ASN A 67 14.060 -10.784 7.239 1.00 0.00 N ATOM 0 H ASN A 67 9.528 -8.446 5.737 1.00 0.00 H new ATOM 0 HA ASN A 67 12.168 -7.725 6.809 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.090 -10.374 6.860 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.274 -10.329 5.569 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.839 -10.890 7.889 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.034 -11.333 6.380 1.00 0.00 H new ATOM 1063 N LEU A 68 12.604 -6.990 4.503 1.00 0.00 N ATOM 1064 CA LEU A 68 12.949 -6.556 3.162 1.00 0.00 C ATOM 1065 C LEU A 68 13.598 -7.674 2.360 1.00 0.00 C ATOM 1066 O LEU A 68 14.304 -8.524 2.905 1.00 0.00 O ATOM 1067 CB LEU A 68 13.876 -5.349 3.232 1.00 0.00 C ATOM 1068 CG LEU A 68 13.164 -4.031 3.508 1.00 0.00 C ATOM 1069 CD1 LEU A 68 14.043 -3.105 4.334 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.768 -3.369 2.205 1.00 0.00 C ATOM 0 H LEU A 68 12.980 -6.399 5.244 1.00 0.00 H new ATOM 0 HA LEU A 68 12.028 -6.277 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.617 -5.519 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.418 -5.266 2.290 1.00 0.00 H new ATOM 0 HG LEU A 68 12.261 -4.239 4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.514 -2.170 4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.281 -3.582 5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.965 -2.899 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.260 -2.428 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.660 -3.175 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.098 -4.027 1.651 1.00 0.00 H new ATOM 1082 N THR A 69 13.349 -7.656 1.058 1.00 0.00 N ATOM 1083 CA THR A 69 13.897 -8.658 0.152 1.00 0.00 C ATOM 1084 C THR A 69 14.049 -8.090 -1.255 1.00 0.00 C ATOM 1085 O THR A 69 13.433 -7.080 -1.598 1.00 0.00 O ATOM 1086 CB THR A 69 12.997 -9.895 0.125 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.631 -9.523 0.087 1.00 0.00 O ATOM 1088 CG2 THR A 69 13.194 -10.800 1.321 1.00 0.00 C ATOM 0 H THR A 69 12.767 -6.953 0.602 1.00 0.00 H new ATOM 0 HA THR A 69 14.884 -8.945 0.516 1.00 0.00 H new ATOM 0 HB THR A 69 13.281 -10.440 -0.775 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.073 -10.328 0.068 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.527 -11.658 1.242 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.227 -11.145 1.350 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.970 -10.250 2.235 1.00 0.00 H new ATOM 1096 N ARG A 70 14.873 -8.745 -2.067 1.00 0.00 N ATOM 1097 CA ARG A 70 15.111 -8.303 -3.442 1.00 0.00 C ATOM 1098 C ARG A 70 13.798 -8.065 -4.184 1.00 0.00 C ATOM 1099 O ARG A 70 13.557 -6.976 -4.705 1.00 0.00 O ATOM 1100 CB ARG A 70 15.951 -9.338 -4.193 1.00 0.00 C ATOM 1101 CG ARG A 70 17.307 -9.599 -3.555 1.00 0.00 C ATOM 1102 CD ARG A 70 18.278 -8.462 -3.830 1.00 0.00 C ATOM 1103 NE ARG A 70 19.169 -8.761 -4.948 1.00 0.00 N ATOM 1104 CZ ARG A 70 20.241 -9.543 -4.853 1.00 0.00 C ATOM 1105 NH1 ARG A 70 20.559 -10.108 -3.694 1.00 0.00 N ATOM 1106 NH2 ARG A 70 20.998 -9.764 -5.919 1.00 0.00 N ATOM 0 H ARG A 70 15.388 -9.584 -1.799 1.00 0.00 H new ATOM 0 HA ARG A 70 15.654 -7.359 -3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.397 -10.275 -4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 70 16.100 -8.998 -5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 70 17.186 -9.724 -2.479 1.00 0.00 H new ATOM 0 HG3 ARG A 70 17.718 -10.532 -3.940 1.00 0.00 H new ATOM 0 HD2 ARG A 70 17.718 -7.552 -4.046 1.00 0.00 H new ATOM 0 HD3 ARG A 70 18.871 -8.267 -2.936 1.00 0.00 H new ATOM 0 HE ARG A 70 18.957 -8.346 -5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 70 19.980 -9.943 -2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 70 21.382 -10.707 -3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 70 20.759 -9.334 -6.813 1.00 0.00 H new ATOM 0 HH22 ARG A 70 21.820 -10.364 -5.845 1.00 0.00 H new ATOM 1120 N ASP A 71 12.955 -9.090 -4.228 1.00 0.00 N ATOM 1121 CA ASP A 71 11.674 -9.003 -4.902 1.00 0.00 C ATOM 1122 C ASP A 71 10.816 -7.872 -4.337 1.00 0.00 C ATOM 1123 O ASP A 71 9.883 -7.406 -4.991 1.00 0.00 O ATOM 1124 CB ASP A 71 10.937 -10.334 -4.770 1.00 0.00 C ATOM 1125 CG ASP A 71 10.970 -10.883 -3.357 1.00 0.00 C ATOM 1126 OD1 ASP A 71 12.006 -11.462 -2.968 1.00 0.00 O ATOM 1127 OD2 ASP A 71 9.959 -10.734 -2.639 1.00 0.00 O ATOM 0 H ASP A 71 13.142 -9.997 -3.800 1.00 0.00 H new ATOM 0 HA ASP A 71 11.858 -8.784 -5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.900 -10.203 -5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.384 -11.061 -5.448 1.00 0.00 H new ATOM 1132 N ASP A 72 11.129 -7.433 -3.118 1.00 0.00 N ATOM 1133 CA ASP A 72 10.373 -6.360 -2.482 1.00 0.00 C ATOM 1134 C ASP A 72 10.877 -4.986 -2.921 1.00 0.00 C ATOM 1135 O ASP A 72 10.194 -3.979 -2.731 1.00 0.00 O ATOM 1136 CB ASP A 72 10.444 -6.486 -0.959 1.00 0.00 C ATOM 1137 CG ASP A 72 9.084 -6.351 -0.303 1.00 0.00 C ATOM 1138 OD1 ASP A 72 8.672 -5.207 -0.022 1.00 0.00 O ATOM 1139 OD2 ASP A 72 8.432 -7.391 -0.071 1.00 0.00 O ATOM 0 H ASP A 72 11.896 -7.802 -2.556 1.00 0.00 H new ATOM 0 HA ASP A 72 9.334 -6.454 -2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.876 -7.452 -0.697 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.112 -5.720 -0.565 1.00 0.00 H new ATOM 1144 N SER A 73 12.068 -4.945 -3.512 1.00 0.00 N ATOM 1145 CA SER A 73 12.643 -3.687 -3.977 1.00 0.00 C ATOM 1146 C SER A 73 12.087 -3.321 -5.349 1.00 0.00 C ATOM 1147 O SER A 73 12.023 -4.164 -6.245 1.00 0.00 O ATOM 1148 CB SER A 73 14.168 -3.790 -4.040 1.00 0.00 C ATOM 1149 OG SER A 73 14.762 -2.506 -4.131 1.00 0.00 O ATOM 0 H SER A 73 12.651 -5.765 -3.680 1.00 0.00 H new ATOM 0 HA SER A 73 12.372 -2.903 -3.270 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.538 -4.303 -3.153 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.460 -4.391 -4.901 1.00 0.00 H new ATOM 0 HG SER A 73 14.092 -1.820 -3.928 1.00 0.00 H new ATOM 1155 N GLY A 74 11.680 -2.066 -5.509 1.00 0.00 N ATOM 1156 CA GLY A 74 11.133 -1.627 -6.768 1.00 0.00 C ATOM 1157 C GLY A 74 10.117 -0.520 -6.593 1.00 0.00 C ATOM 1158 O GLY A 74 10.008 0.076 -5.522 1.00 0.00 O ATOM 0 H GLY A 74 11.722 -1.349 -4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.941 -1.278 -7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.665 -2.472 -7.273 1.00 0.00 H new ATOM 1162 N THR A 75 9.379 -0.247 -7.652 1.00 0.00 N ATOM 1163 CA THR A 75 8.358 0.801 -7.645 1.00 0.00 C ATOM 1164 C THR A 75 7.005 0.259 -7.189 1.00 0.00 C ATOM 1165 O THR A 75 6.497 -0.718 -7.740 1.00 0.00 O ATOM 1166 CB THR A 75 8.234 1.377 -9.053 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.446 1.215 -9.769 1.00 0.00 O ATOM 1168 CG2 THR A 75 7.888 2.844 -9.069 1.00 0.00 C ATOM 0 H THR A 75 9.464 -0.739 -8.541 1.00 0.00 H new ATOM 0 HA THR A 75 8.659 1.577 -6.942 1.00 0.00 H new ATOM 0 HB THR A 75 7.420 0.823 -9.521 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.346 1.589 -10.669 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.815 3.189 -10.100 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.933 2.998 -8.566 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.665 3.407 -8.552 1.00 0.00 H new ATOM 1176 N TYR A 76 6.421 0.909 -6.185 1.00 0.00 N ATOM 1177 CA TYR A 76 5.120 0.506 -5.661 1.00 0.00 C ATOM 1178 C TYR A 76 4.044 1.499 -6.092 1.00 0.00 C ATOM 1179 O TYR A 76 4.198 2.706 -5.912 1.00 0.00 O ATOM 1180 CB TYR A 76 5.161 0.417 -4.133 1.00 0.00 C ATOM 1181 CG TYR A 76 5.828 -0.837 -3.615 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.195 -1.030 -3.761 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.091 -1.829 -2.977 1.00 0.00 C ATOM 1184 CE1 TYR A 76 7.808 -2.174 -3.286 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.699 -2.974 -2.499 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.055 -3.142 -2.655 1.00 0.00 C ATOM 1187 OH TYR A 76 7.660 -4.283 -2.176 1.00 0.00 O ATOM 0 H TYR A 76 6.830 1.718 -5.718 1.00 0.00 H new ATOM 0 HA TYR A 76 4.879 -0.477 -6.065 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.688 1.287 -3.741 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.142 0.462 -3.748 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.789 -0.274 -4.254 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.026 -1.702 -2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.872 -2.309 -3.408 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.112 -3.734 -2.005 1.00 0.00 H new ATOM 0 HH TYR A 76 7.905 -4.154 -1.236 1.00 0.00 H new ATOM 1197 N ASN A 77 2.964 0.987 -6.673 1.00 0.00 N ATOM 1198 CA ASN A 77 1.876 1.838 -7.141 1.00 0.00 C ATOM 1199 C ASN A 77 0.608 1.635 -6.317 1.00 0.00 C ATOM 1200 O ASN A 77 0.147 0.504 -6.132 1.00 0.00 O ATOM 1201 CB ASN A 77 1.584 1.542 -8.612 1.00 0.00 C ATOM 1202 CG ASN A 77 2.626 2.130 -9.543 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.401 3.166 -10.170 1.00 0.00 O ATOM 1204 ND2 ASN A 77 3.773 1.469 -9.639 1.00 0.00 N ATOM 0 H ASN A 77 2.819 -0.010 -6.831 1.00 0.00 H new ATOM 0 HA ASN A 77 2.191 2.875 -7.026 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.538 0.463 -8.759 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.604 1.941 -8.871 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.512 1.816 -10.251 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.916 0.614 -9.101 1.00 0.00 H new ATOM 1211 N VAL A 78 0.034 2.740 -5.839 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.194 2.680 -5.053 1.00 0.00 C ATOM 1213 C VAL A 78 -2.362 3.299 -5.816 1.00 0.00 C ATOM 1214 O VAL A 78 -2.262 4.421 -6.322 1.00 0.00 O ATOM 1215 CB VAL A 78 -1.085 3.403 -3.689 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.885 2.648 -2.637 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.366 3.584 -3.247 1.00 0.00 C ATOM 0 H VAL A 78 0.399 3.682 -5.983 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.364 1.619 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.504 4.403 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.804 3.163 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.932 2.604 -2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.493 1.636 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.392 4.096 -2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.842 2.608 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.901 4.178 -3.988 1.00 0.00 H new ATOM 1227 N THR A 79 -3.474 2.570 -5.872 1.00 0.00 N ATOM 1228 CA THR A 79 -4.676 3.046 -6.546 1.00 0.00 C ATOM 1229 C THR A 79 -5.801 3.223 -5.532 1.00 0.00 C ATOM 1230 O THR A 79 -6.454 2.256 -5.139 1.00 0.00 O ATOM 1231 CB THR A 79 -5.101 2.070 -7.647 1.00 0.00 C ATOM 1232 OG1 THR A 79 -4.123 1.060 -7.831 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.323 2.741 -8.985 1.00 0.00 C ATOM 0 H THR A 79 -3.566 1.643 -5.456 1.00 0.00 H new ATOM 0 HA THR A 79 -4.459 4.008 -7.010 1.00 0.00 H new ATOM 0 HB THR A 79 -6.046 1.646 -7.307 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.415 0.447 -8.537 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.622 1.995 -9.721 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.108 3.492 -8.890 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.399 3.221 -9.309 1.00 0.00 H new ATOM 1241 N VAL A 80 -6.004 4.460 -5.098 1.00 0.00 N ATOM 1242 CA VAL A 80 -7.032 4.767 -4.110 1.00 0.00 C ATOM 1243 C VAL A 80 -8.353 5.145 -4.777 1.00 0.00 C ATOM 1244 O VAL A 80 -8.395 6.015 -5.646 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.575 5.915 -3.180 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.689 6.331 -2.231 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.330 5.514 -2.396 1.00 0.00 C ATOM 0 H VAL A 80 -5.470 5.269 -5.415 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.189 3.866 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.328 6.771 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.338 7.140 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.549 6.672 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.979 5.480 -1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.027 6.337 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.550 4.636 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.522 5.282 -3.090 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.431 4.490 -4.352 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.754 4.760 -4.896 1.00 0.00 C ATOM 1259 C TYR A 81 -11.734 5.131 -3.794 1.00 0.00 C ATOM 1260 O TYR A 81 -11.586 4.720 -2.639 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.295 3.555 -5.645 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.507 3.186 -6.880 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -10.736 3.827 -8.091 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -9.538 2.190 -6.839 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -10.021 3.488 -9.225 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -8.821 1.846 -7.968 1.00 0.00 C ATOM 1267 CZ TYR A 81 -9.066 2.497 -9.158 1.00 0.00 C ATOM 1268 OH TYR A 81 -8.353 2.155 -10.285 1.00 0.00 O ATOM 0 H TYR A 81 -9.411 3.768 -3.632 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.649 5.598 -5.586 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.312 2.700 -4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.327 3.754 -5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.485 4.603 -8.148 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.343 1.677 -5.909 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.210 3.997 -10.158 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.071 1.070 -7.919 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.719 1.440 -10.067 1.00 0.00 H new ATOM 1278 N SER A 82 -12.742 5.897 -4.182 1.00 0.00 N ATOM 1279 CA SER A 82 -13.781 6.350 -3.265 1.00 0.00 C ATOM 1280 C SER A 82 -14.932 5.352 -3.191 1.00 0.00 C ATOM 1281 O SER A 82 -14.961 4.363 -3.923 1.00 0.00 O ATOM 1282 CB SER A 82 -14.309 7.720 -3.697 1.00 0.00 C ATOM 1283 OG SER A 82 -13.744 8.122 -4.934 1.00 0.00 O ATOM 0 H SER A 82 -12.864 6.223 -5.141 1.00 0.00 H new ATOM 0 HA SER A 82 -13.336 6.430 -2.273 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.395 7.683 -3.786 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.077 8.460 -2.931 1.00 0.00 H new ATOM 0 HG SER A 82 -13.972 9.059 -5.109 1.00 0.00 H new ATOM 1289 N THR A 83 -15.877 5.626 -2.300 1.00 0.00 N ATOM 1290 CA THR A 83 -17.040 4.761 -2.121 1.00 0.00 C ATOM 1291 C THR A 83 -17.862 4.670 -3.404 1.00 0.00 C ATOM 1292 O THR A 83 -18.618 3.718 -3.600 1.00 0.00 O ATOM 1293 CB THR A 83 -17.914 5.280 -0.979 1.00 0.00 C ATOM 1294 OG1 THR A 83 -17.892 6.696 -0.934 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.488 4.772 0.382 1.00 0.00 C ATOM 0 H THR A 83 -15.862 6.442 -1.688 1.00 0.00 H new ATOM 0 HA THR A 83 -16.681 3.762 -1.873 1.00 0.00 H new ATOM 0 HB THR A 83 -18.916 4.906 -1.191 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.458 7.009 -0.198 1.00 0.00 H new ATOM 0 HG21 THR A 83 -18.150 5.179 1.146 1.00 0.00 H new ATOM 0 HG22 THR A 83 -17.542 3.683 0.397 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.464 5.087 0.584 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.716 5.666 -4.275 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.450 5.691 -5.534 1.00 0.00 C ATOM 1305 C ASN A 84 -17.609 5.121 -6.674 1.00 0.00 C ATOM 1306 O ASN A 84 -17.809 5.471 -7.837 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.879 7.121 -5.869 1.00 0.00 C ATOM 1308 CG ASN A 84 -20.246 7.177 -6.520 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -20.364 7.368 -7.730 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -21.292 7.012 -5.716 1.00 0.00 N ATOM 0 H ASN A 84 -17.097 6.464 -4.131 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.337 5.068 -5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -18.889 7.717 -4.957 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -18.143 7.571 -6.536 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -22.238 7.041 -6.097 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -21.149 6.856 -4.718 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.671 4.242 -6.334 1.00 0.00 N ATOM 1318 CA GLY A 85 -15.819 3.638 -7.343 1.00 0.00 C ATOM 1319 C GLY A 85 -15.105 4.667 -8.198 1.00 0.00 C ATOM 1320 O GLY A 85 -14.745 4.390 -9.343 1.00 0.00 O ATOM 0 H GLY A 85 -16.486 3.937 -5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.081 3.001 -6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.422 2.994 -7.984 1.00 0.00 H new ATOM 1324 N THR A 86 -14.901 5.858 -7.644 1.00 0.00 N ATOM 1325 CA THR A 86 -14.227 6.930 -8.366 1.00 0.00 C ATOM 1326 C THR A 86 -12.735 6.945 -8.049 1.00 0.00 C ATOM 1327 O THR A 86 -12.310 6.470 -6.996 1.00 0.00 O ATOM 1328 CB THR A 86 -14.849 8.282 -8.014 1.00 0.00 C ATOM 1329 OG1 THR A 86 -16.167 8.115 -7.521 1.00 0.00 O ATOM 1330 CG2 THR A 86 -14.917 9.235 -9.188 1.00 0.00 C ATOM 0 H THR A 86 -15.193 6.104 -6.698 1.00 0.00 H new ATOM 0 HA THR A 86 -14.352 6.749 -9.434 1.00 0.00 H new ATOM 0 HB THR A 86 -14.194 8.711 -7.256 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.161 8.179 -6.543 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.369 10.174 -8.869 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.911 9.425 -9.561 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.521 8.793 -9.981 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.944 7.495 -8.965 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.499 7.571 -8.781 1.00 0.00 C ATOM 1340 C ARG A 87 -10.136 8.715 -7.839 1.00 0.00 C ATOM 1341 O ARG A 87 -10.381 9.883 -8.144 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.791 7.762 -10.127 1.00 0.00 C ATOM 1343 CG ARG A 87 -10.515 7.123 -11.303 1.00 0.00 C ATOM 1344 CD ARG A 87 -11.203 8.166 -12.169 1.00 0.00 C ATOM 1345 NE ARG A 87 -10.286 9.226 -12.581 1.00 0.00 N ATOM 1346 CZ ARG A 87 -9.359 9.080 -13.525 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -9.223 7.921 -14.157 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -8.567 10.096 -13.840 1.00 0.00 N ATOM 0 H ARG A 87 -12.279 7.894 -9.842 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.167 6.632 -8.339 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.679 8.829 -10.319 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.787 7.343 -10.061 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.803 6.560 -11.907 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -11.253 6.411 -10.934 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.621 7.685 -13.053 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.037 8.602 -11.618 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.361 10.132 -12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.831 7.137 -13.920 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.511 7.815 -14.880 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.668 10.990 -13.359 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.857 9.984 -14.563 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.555 8.375 -6.694 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.164 9.378 -5.712 1.00 0.00 C ATOM 1364 C ILE A 88 -7.708 9.795 -5.894 1.00 0.00 C ATOM 1365 O ILE A 88 -7.424 10.926 -6.288 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.360 8.868 -4.269 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -10.808 8.422 -4.054 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -8.974 9.949 -3.264 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -11.110 8.004 -2.629 1.00 0.00 C ATOM 0 H ILE A 88 -9.345 7.414 -6.424 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.811 10.240 -5.876 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.709 8.008 -4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.476 9.237 -4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.025 7.588 -4.722 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.118 9.573 -2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.928 10.220 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.600 10.828 -3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.154 7.701 -2.552 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.468 7.168 -2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.925 8.842 -1.957 1.00 0.00 H new ATOM 1381 N LEU A 89 -6.789 8.884 -5.591 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.367 9.181 -5.711 1.00 0.00 C ATOM 1383 C LEU A 89 -4.575 7.979 -6.222 1.00 0.00 C ATOM 1384 O LEU A 89 -4.634 6.889 -5.653 1.00 0.00 O ATOM 1385 CB LEU A 89 -4.811 9.632 -4.354 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.282 9.656 -4.243 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -2.828 10.827 -3.386 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -2.765 8.340 -3.673 1.00 0.00 C ATOM 0 H LEU A 89 -7.001 7.942 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.258 9.984 -6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.189 10.632 -4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.204 8.970 -3.582 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.866 9.782 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.740 10.828 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.164 11.760 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.254 10.733 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.678 8.376 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.188 8.182 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.058 7.520 -4.328 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.811 8.207 -7.284 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.967 7.175 -7.872 1.00 0.00 C ATOM 1402 C ASN A 90 -1.508 7.585 -7.714 1.00 0.00 C ATOM 1403 O ASN A 90 -1.045 8.515 -8.374 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.309 6.975 -9.350 1.00 0.00 C ATOM 1405 CG ASN A 90 -3.461 5.512 -9.717 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -4.363 5.138 -10.467 1.00 0.00 O ATOM 1407 ND2 ASN A 90 -2.578 4.674 -9.185 1.00 0.00 N ATOM 0 H ASN A 90 -3.759 9.108 -7.759 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.140 6.229 -7.359 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.235 7.502 -9.580 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.527 7.421 -9.964 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.632 3.677 -9.393 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.847 5.028 -8.568 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.798 6.919 -6.812 1.00 0.00 N ATOM 1415 CA LYS A 91 0.599 7.265 -6.554 1.00 0.00 C ATOM 1416 C LYS A 91 1.556 6.122 -6.870 1.00 0.00 C ATOM 1417 O LYS A 91 1.159 4.961 -6.972 1.00 0.00 O ATOM 1418 CB LYS A 91 0.774 7.687 -5.094 1.00 0.00 C ATOM 1419 CG LYS A 91 -0.018 8.925 -4.717 1.00 0.00 C ATOM 1420 CD LYS A 91 0.803 10.191 -4.899 1.00 0.00 C ATOM 1421 CE LYS A 91 0.571 10.813 -6.267 1.00 0.00 C ATOM 1422 NZ LYS A 91 0.803 12.285 -6.255 1.00 0.00 N ATOM 0 H LYS A 91 -1.158 6.146 -6.252 1.00 0.00 H new ATOM 0 HA LYS A 91 0.847 8.093 -7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.472 6.863 -4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.831 7.871 -4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.918 8.983 -5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.343 8.848 -3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.542 10.910 -4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.861 9.960 -4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.235 10.347 -6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.450 10.609 -6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.634 12.671 -7.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.152 12.734 -5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.785 12.479 -5.972 1.00 0.00 H new ATOM 1436 N ALA A 92 2.831 6.479 -7.007 1.00 0.00 N ATOM 1437 CA ALA A 92 3.885 5.519 -7.293 1.00 0.00 C ATOM 1438 C ALA A 92 5.164 5.911 -6.558 1.00 0.00 C ATOM 1439 O ALA A 92 5.696 7.001 -6.764 1.00 0.00 O ATOM 1440 CB ALA A 92 4.138 5.440 -8.789 1.00 0.00 C ATOM 0 H ALA A 92 3.158 7.441 -6.922 1.00 0.00 H new ATOM 0 HA ALA A 92 3.567 4.536 -6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.930 4.717 -8.986 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.226 5.127 -9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.441 6.420 -9.159 1.00 0.00 H new ATOM 1446 N LEU A 93 5.643 5.028 -5.692 1.00 0.00 N ATOM 1447 CA LEU A 93 6.851 5.299 -4.918 1.00 0.00 C ATOM 1448 C LEU A 93 7.980 4.350 -5.299 1.00 0.00 C ATOM 1449 O LEU A 93 7.740 3.261 -5.821 1.00 0.00 O ATOM 1450 CB LEU A 93 6.561 5.178 -3.419 1.00 0.00 C ATOM 1451 CG LEU A 93 5.172 5.651 -2.983 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.116 4.616 -3.344 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.154 5.931 -1.488 1.00 0.00 C ATOM 0 H LEU A 93 5.216 4.120 -5.507 1.00 0.00 H new ATOM 0 HA LEU A 93 7.167 6.317 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.681 4.135 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.310 5.751 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 93 4.940 6.575 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.136 4.970 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.113 4.460 -4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.342 3.675 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.160 6.266 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.406 5.021 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.883 6.707 -1.254 1.00 0.00 H new ATOM 1465 N ASP A 94 9.213 4.767 -5.023 1.00 0.00 N ATOM 1466 CA ASP A 94 10.381 3.951 -5.325 1.00 0.00 C ATOM 1467 C ASP A 94 10.975 3.377 -4.040 1.00 0.00 C ATOM 1468 O ASP A 94 11.457 4.118 -3.182 1.00 0.00 O ATOM 1469 CB ASP A 94 11.433 4.778 -6.068 1.00 0.00 C ATOM 1470 CG ASP A 94 11.024 5.085 -7.495 1.00 0.00 C ATOM 1471 OD1 ASP A 94 9.885 5.553 -7.699 1.00 0.00 O ATOM 1472 OD2 ASP A 94 11.844 4.856 -8.410 1.00 0.00 O ATOM 0 H ASP A 94 9.427 5.666 -4.591 1.00 0.00 H new ATOM 0 HA ASP A 94 10.069 3.126 -5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.602 5.712 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.380 4.238 -6.072 1.00 0.00 H new ATOM 1477 N LEU A 95 10.933 2.055 -3.913 1.00 0.00 N ATOM 1478 CA LEU A 95 11.465 1.383 -2.724 1.00 0.00 C ATOM 1479 C LEU A 95 12.845 0.790 -3.003 1.00 0.00 C ATOM 1480 O LEU A 95 12.955 -0.305 -3.561 1.00 0.00 O ATOM 1481 CB LEU A 95 10.519 0.268 -2.244 1.00 0.00 C ATOM 1482 CG LEU A 95 11.007 -0.532 -1.033 1.00 0.00 C ATOM 1483 CD1 LEU A 95 11.348 0.388 0.123 1.00 0.00 C ATOM 1484 CD2 LEU A 95 9.956 -1.546 -0.612 1.00 0.00 C ATOM 0 H LEU A 95 10.539 1.427 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 95 11.550 2.135 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.555 0.713 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.350 -0.423 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 95 11.913 -1.065 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 95 11.692 -0.205 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 95 12.135 1.078 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.462 0.954 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 95 10.317 -2.107 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 95 9.035 -1.027 -0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.762 -2.232 -1.436 1.00 0.00 H new ATOM 1496 N ARG A 96 13.894 1.511 -2.608 1.00 0.00 N ATOM 1497 CA ARG A 96 15.262 1.046 -2.811 1.00 0.00 C ATOM 1498 C ARG A 96 15.829 0.466 -1.519 1.00 0.00 C ATOM 1499 O ARG A 96 15.850 1.130 -0.479 1.00 0.00 O ATOM 1500 CB ARG A 96 16.157 2.181 -3.324 1.00 0.00 C ATOM 1501 CG ARG A 96 15.394 3.405 -3.815 1.00 0.00 C ATOM 1502 CD ARG A 96 14.558 3.085 -5.046 1.00 0.00 C ATOM 1503 NE ARG A 96 15.301 2.296 -6.025 1.00 0.00 N ATOM 1504 CZ ARG A 96 14.726 1.551 -6.968 1.00 0.00 C ATOM 1505 NH1 ARG A 96 13.403 1.495 -7.066 1.00 0.00 N ATOM 1506 NH2 ARG A 96 15.477 0.863 -7.817 1.00 0.00 N ATOM 0 H ARG A 96 13.821 2.418 -2.147 1.00 0.00 H new ATOM 0 HA ARG A 96 15.242 0.260 -3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 96 16.833 2.485 -2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 96 16.775 1.802 -4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 96 14.746 3.774 -3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.098 4.204 -4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.664 2.539 -4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.224 4.014 -5.508 1.00 0.00 H new ATOM 0 HE ARG A 96 16.320 2.317 -5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.821 2.024 -6.417 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.969 0.923 -7.790 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.494 0.904 -7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.038 0.292 -8.539 1.00 0.00 H new ATOM 1520 N ILE A 97 16.269 -0.787 -1.582 1.00 0.00 N ATOM 1521 CA ILE A 97 16.809 -1.465 -0.412 1.00 0.00 C ATOM 1522 C ILE A 97 18.232 -1.960 -0.643 1.00 0.00 C ATOM 1523 O ILE A 97 18.503 -2.679 -1.605 1.00 0.00 O ATOM 1524 CB ILE A 97 15.934 -2.668 -0.018 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.471 -2.420 -0.397 1.00 0.00 C ATOM 1526 CG2 ILE A 97 16.063 -2.951 1.471 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.924 -1.110 0.127 1.00 0.00 C ATOM 0 H ILE A 97 16.262 -1.352 -2.431 1.00 0.00 H new ATOM 0 HA ILE A 97 16.816 -0.728 0.391 1.00 0.00 H new ATOM 0 HB ILE A 97 16.283 -3.543 -0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 97 14.378 -2.435 -1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 97 13.861 -3.238 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.438 -3.804 1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.103 -3.175 1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.741 -2.077 2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.884 -1.001 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.985 -1.100 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 97 14.509 -0.284 -0.277 1.00 0.00 H new ATOM 1539 N LEU A 98 19.133 -1.580 0.255 1.00 0.00 N ATOM 1540 CA LEU A 98 20.510 -1.978 0.180 1.00 0.00 C ATOM 1541 C LEU A 98 20.700 -3.364 0.783 1.00 0.00 C ATOM 1542 O LEU A 98 19.801 -3.907 1.431 1.00 0.00 O ATOM 1543 CB LEU A 98 21.352 -0.957 0.931 1.00 0.00 C ATOM 1544 CG LEU A 98 21.844 0.217 0.089 1.00 0.00 C ATOM 1545 CD1 LEU A 98 22.623 1.202 0.947 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.697 -0.277 -1.070 1.00 0.00 C ATOM 0 H LEU A 98 18.916 -0.985 1.054 1.00 0.00 H new ATOM 0 HA LEU A 98 20.822 -2.021 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.766 -0.567 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 98 22.216 -1.465 1.359 1.00 0.00 H new ATOM 0 HG LEU A 98 20.976 0.733 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 98 22.965 2.032 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 98 21.979 1.582 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 98 23.484 0.699 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 98 23.039 0.574 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.559 -0.819 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 98 22.105 -0.940 -1.701 1.00 0.00 H new ATOM 1558 N GLU A 99 21.876 -3.923 0.564 1.00 0.00 N ATOM 1559 CA GLU A 99 22.209 -5.246 1.078 1.00 0.00 C ATOM 1560 C GLU A 99 23.158 -5.144 2.268 1.00 0.00 C ATOM 1561 O GLU A 99 24.302 -4.683 2.073 1.00 0.00 O ATOM 1562 CB GLU A 99 22.842 -6.099 -0.023 1.00 0.00 C ATOM 1563 CG GLU A 99 21.847 -6.581 -1.066 1.00 0.00 C ATOM 1564 CD GLU A 99 22.097 -8.014 -1.492 1.00 0.00 C ATOM 1565 OE1 GLU A 99 23.034 -8.242 -2.286 1.00 0.00 O ATOM 1566 OE2 GLU A 99 21.356 -8.908 -1.033 1.00 0.00 O ATOM 1567 OXT GLU A 99 22.749 -5.526 3.384 1.00 0.00 O ATOM 0 H GLU A 99 22.624 -3.480 0.030 1.00 0.00 H new ATOM 0 HA GLU A 99 21.287 -5.722 1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 99 23.622 -5.519 -0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 99 23.327 -6.963 0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 99 20.837 -6.496 -0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 99 21.899 -5.932 -1.940 1.00 0.00 H new TER 1574 GLU A 99 HETATM 1575 CA CA A 100 2.213 4.837 7.191 1.00 0.00 CA