USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 780 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 67 LYS NZ :NH3+ -159:sc= -1.24 (180deg=-1.92) USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 28 SER OG : rot 39:sc= 0.7 USER MOD Set 2.2: A 85 ASN : amide:sc= -1.99 K(o=-1.3,f=-8.1!) USER MOD Single : A 5 GLN : amide:sc= -1.93! K(o=-1.9!,f=-2.4) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -124:sc= -0.252 USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= -0.0247 (180deg=-0.334) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 172:sc= -0.106 (180deg=-0.171) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -25:sc= 0.247 USER MOD Single : A 43 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.21) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00628 USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.766 USER MOD Single : A 52 MET CE :methyl 178:sc= -0.33 (180deg=-0.396) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -159:sc= -0.0342 (180deg=-0.404) USER MOD Single : A 72 ASN : amide:sc= 0.205 K(o=0.2,f=-1.9!) USER MOD Single : A 76 THR OG1 : rot -170:sc= -0.668 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.832 K(o=-0.83,f=-1.8) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 160:sc= -0.203 (180deg=-1.33!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -2.24 K(o=-2.2,f=-8.7!) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 8.537 2.748 9.164 1.00 0.00 N ATOM 21 CA ALA A 2 7.931 2.016 8.017 1.00 0.00 C ATOM 22 C ALA A 2 7.398 3.001 6.974 1.00 0.00 C ATOM 23 O ALA A 2 6.869 4.046 7.298 1.00 0.00 O ATOM 24 CB ALA A 2 6.782 1.149 8.532 1.00 0.00 C ATOM 0 HA ALA A 2 8.693 1.392 7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.332 0.609 7.699 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.164 0.436 9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.030 1.783 9.002 1.00 0.00 H new ATOM 30 N GLU A 3 7.527 2.664 5.719 1.00 0.00 N ATOM 31 CA GLU A 3 7.025 3.561 4.641 1.00 0.00 C ATOM 32 C GLU A 3 6.710 2.736 3.393 1.00 0.00 C ATOM 33 O GLU A 3 7.182 1.625 3.232 1.00 0.00 O ATOM 34 CB GLU A 3 8.088 4.614 4.305 1.00 0.00 C ATOM 35 CG GLU A 3 9.385 3.925 3.868 1.00 0.00 C ATOM 36 CD GLU A 3 10.439 4.986 3.537 1.00 0.00 C ATOM 37 OE1 GLU A 3 10.086 6.152 3.505 1.00 0.00 O ATOM 38 OE2 GLU A 3 11.580 4.613 3.324 1.00 0.00 O ATOM 0 H GLU A 3 7.961 1.800 5.393 1.00 0.00 H new ATOM 0 HA GLU A 3 6.119 4.061 4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 3 7.727 5.267 3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.276 5.244 5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.748 3.272 4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.200 3.296 2.997 1.00 0.00 H new ATOM 45 N ILE A 4 5.915 3.279 2.506 1.00 0.00 N ATOM 46 CA ILE A 4 5.552 2.556 1.250 1.00 0.00 C ATOM 47 C ILE A 4 6.242 3.231 0.066 1.00 0.00 C ATOM 48 O ILE A 4 6.172 4.433 -0.096 1.00 0.00 O ATOM 49 CB ILE A 4 4.040 2.609 1.055 1.00 0.00 C ATOM 50 CG1 ILE A 4 3.362 1.882 2.216 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.670 1.926 -0.263 1.00 0.00 C ATOM 52 CD1 ILE A 4 1.855 2.135 2.175 1.00 0.00 C ATOM 0 H ILE A 4 5.497 4.205 2.600 1.00 0.00 H new ATOM 0 HA ILE A 4 5.873 1.516 1.317 1.00 0.00 H new ATOM 0 HB ILE A 4 3.708 3.647 1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.562 0.812 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.773 2.229 3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.590 1.964 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.160 2.440 -1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.996 0.886 -0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.376 1.615 3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.663 3.205 2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.450 1.766 1.233 1.00 0.00 H new ATOM 64 N GLN A 5 6.915 2.465 -0.757 1.00 0.00 N ATOM 65 CA GLN A 5 7.624 3.049 -1.935 1.00 0.00 C ATOM 66 C GLN A 5 7.246 2.282 -3.202 1.00 0.00 C ATOM 67 O GLN A 5 7.315 1.070 -3.258 1.00 0.00 O ATOM 68 CB GLN A 5 9.133 2.953 -1.704 1.00 0.00 C ATOM 69 CG GLN A 5 9.521 3.891 -0.559 1.00 0.00 C ATOM 70 CD GLN A 5 11.013 3.750 -0.259 1.00 0.00 C ATOM 71 OE1 GLN A 5 11.533 4.419 0.613 1.00 0.00 O ATOM 72 NE2 GLN A 5 11.728 2.905 -0.946 1.00 0.00 N ATOM 0 H GLN A 5 7.003 1.453 -0.661 1.00 0.00 H new ATOM 0 HA GLN A 5 7.335 4.093 -2.056 1.00 0.00 H new ATOM 0 HB2 GLN A 5 9.413 1.928 -1.462 1.00 0.00 H new ATOM 0 HB3 GLN A 5 9.671 3.224 -2.612 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.290 4.922 -0.827 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.938 3.655 0.331 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.291 2.344 -1.677 1.00 0.00 H new ATOM 0 HE22 GLN A 5 12.724 2.804 -0.752 1.00 0.00 H new ATOM 81 N PHE A 6 6.849 2.993 -4.222 1.00 0.00 N ATOM 82 CA PHE A 6 6.464 2.340 -5.501 1.00 0.00 C ATOM 83 C PHE A 6 7.723 2.135 -6.347 1.00 0.00 C ATOM 84 O PHE A 6 7.690 1.530 -7.400 1.00 0.00 O ATOM 85 CB PHE A 6 5.493 3.252 -6.253 1.00 0.00 C ATOM 86 CG PHE A 6 4.223 3.434 -5.450 1.00 0.00 C ATOM 87 CD1 PHE A 6 3.297 2.387 -5.359 1.00 0.00 C ATOM 88 CD2 PHE A 6 3.964 4.653 -4.805 1.00 0.00 C ATOM 89 CE1 PHE A 6 2.118 2.557 -4.624 1.00 0.00 C ATOM 90 CE2 PHE A 6 2.782 4.821 -4.071 1.00 0.00 C ATOM 91 CZ PHE A 6 1.859 3.772 -3.982 1.00 0.00 C ATOM 0 H PHE A 6 6.775 4.010 -4.221 1.00 0.00 H new ATOM 0 HA PHE A 6 5.988 1.379 -5.305 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.959 4.220 -6.436 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.258 2.822 -7.227 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.493 1.448 -5.856 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.676 5.462 -4.874 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.406 1.748 -4.553 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.583 5.759 -3.574 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.947 3.901 -3.418 1.00 0.00 H new ATOM 101 N SER A 7 8.836 2.643 -5.889 1.00 0.00 N ATOM 102 CA SER A 7 10.105 2.488 -6.654 1.00 0.00 C ATOM 103 C SER A 7 11.293 2.734 -5.726 1.00 0.00 C ATOM 104 O SER A 7 12.092 1.852 -5.478 1.00 0.00 O ATOM 105 CB SER A 7 10.143 3.503 -7.799 1.00 0.00 C ATOM 106 OG SER A 7 11.332 3.309 -8.555 1.00 0.00 O ATOM 0 H SER A 7 8.920 3.161 -5.014 1.00 0.00 H new ATOM 0 HA SER A 7 10.159 1.478 -7.060 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.268 3.382 -8.437 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.111 4.518 -7.403 1.00 0.00 H new ATOM 0 HG SER A 7 11.361 3.955 -9.291 1.00 0.00 H new ATOM 112 N LYS A 8 11.421 3.931 -5.213 1.00 0.00 N ATOM 113 CA LYS A 8 12.568 4.246 -4.301 1.00 0.00 C ATOM 114 C LYS A 8 12.110 5.193 -3.186 1.00 0.00 C ATOM 115 O LYS A 8 10.935 5.321 -2.906 1.00 0.00 O ATOM 116 CB LYS A 8 13.683 4.929 -5.099 1.00 0.00 C ATOM 117 CG LYS A 8 14.304 3.938 -6.084 1.00 0.00 C ATOM 118 CD LYS A 8 15.375 4.644 -6.928 1.00 0.00 C ATOM 119 CE LYS A 8 16.667 4.813 -6.116 1.00 0.00 C ATOM 120 NZ LYS A 8 17.767 5.251 -7.020 1.00 0.00 N ATOM 0 H LYS A 8 10.781 4.706 -5.385 1.00 0.00 H new ATOM 0 HA LYS A 8 12.934 3.317 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.282 5.787 -5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.448 5.307 -4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.747 3.103 -5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.532 3.524 -6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.577 4.066 -7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.010 5.619 -7.250 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.518 5.547 -5.324 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.931 3.872 -5.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.643 5.366 -6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.914 4.535 -7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.514 6.158 -7.461 1.00 0.00 H new ATOM 134 N GLY A 9 13.039 5.862 -2.548 1.00 0.00 N ATOM 135 CA GLY A 9 12.680 6.810 -1.453 1.00 0.00 C ATOM 136 C GLY A 9 11.782 7.920 -2.006 1.00 0.00 C ATOM 137 O GLY A 9 11.449 8.862 -1.317 1.00 0.00 O ATOM 0 H GLY A 9 14.038 5.790 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.166 6.278 -0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.583 7.241 -1.021 1.00 0.00 H new ATOM 141 N VAL A 10 11.397 7.819 -3.248 1.00 0.00 N ATOM 142 CA VAL A 10 10.534 8.868 -3.853 1.00 0.00 C ATOM 143 C VAL A 10 9.135 8.829 -3.233 1.00 0.00 C ATOM 144 O VAL A 10 8.537 7.783 -3.074 1.00 0.00 O ATOM 145 CB VAL A 10 10.434 8.632 -5.359 1.00 0.00 C ATOM 146 CG1 VAL A 10 9.431 9.614 -5.970 1.00 0.00 C ATOM 147 CG2 VAL A 10 11.806 8.850 -5.998 1.00 0.00 C ATOM 0 H VAL A 10 11.645 7.051 -3.872 1.00 0.00 H new ATOM 0 HA VAL A 10 10.975 9.846 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 10 10.099 7.611 -5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.362 9.443 -7.044 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.452 9.464 -5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.764 10.636 -5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.738 8.682 -7.073 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.136 9.872 -5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.523 8.152 -5.567 1.00 0.00 H new ATOM 157 N ALA A 11 8.616 9.980 -2.896 1.00 0.00 N ATOM 158 CA ALA A 11 7.257 10.068 -2.293 1.00 0.00 C ATOM 159 C ALA A 11 7.238 9.371 -0.934 1.00 0.00 C ATOM 160 O ALA A 11 7.003 8.181 -0.833 1.00 0.00 O ATOM 161 CB ALA A 11 6.220 9.431 -3.223 1.00 0.00 C ATOM 0 H ALA A 11 9.086 10.877 -3.016 1.00 0.00 H new ATOM 0 HA ALA A 11 7.005 11.119 -2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.232 9.503 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.219 9.954 -4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.470 8.382 -3.383 1.00 0.00 H new ATOM 167 N GLU A 12 7.475 10.117 0.113 1.00 0.00 N ATOM 168 CA GLU A 12 7.469 9.543 1.494 1.00 0.00 C ATOM 169 C GLU A 12 6.591 10.416 2.393 1.00 0.00 C ATOM 170 O GLU A 12 6.098 9.978 3.412 1.00 0.00 O ATOM 171 CB GLU A 12 8.898 9.524 2.040 1.00 0.00 C ATOM 172 CG GLU A 12 8.903 8.857 3.416 1.00 0.00 C ATOM 173 CD GLU A 12 10.338 8.771 3.942 1.00 0.00 C ATOM 174 OE1 GLU A 12 11.249 8.970 3.156 1.00 0.00 O ATOM 175 OE2 GLU A 12 10.499 8.507 5.122 1.00 0.00 O ATOM 0 H GLU A 12 7.676 11.116 0.070 1.00 0.00 H new ATOM 0 HA GLU A 12 7.076 8.527 1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.553 8.982 1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.285 10.540 2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.285 9.427 4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.470 7.859 3.349 1.00 0.00 H new ATOM 182 N THR A 13 6.387 11.650 2.019 1.00 0.00 N ATOM 183 CA THR A 13 5.538 12.555 2.844 1.00 0.00 C ATOM 184 C THR A 13 4.065 12.194 2.622 1.00 0.00 C ATOM 185 O THR A 13 3.172 12.786 3.192 1.00 0.00 O ATOM 186 CB THR A 13 5.790 14.010 2.422 1.00 0.00 C ATOM 187 OG1 THR A 13 7.176 14.191 2.172 1.00 0.00 O ATOM 188 CG2 THR A 13 5.343 14.961 3.535 1.00 0.00 C ATOM 0 H THR A 13 6.773 12.071 1.174 1.00 0.00 H new ATOM 0 HA THR A 13 5.784 12.442 3.900 1.00 0.00 H new ATOM 0 HB THR A 13 5.221 14.227 1.518 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.341 15.118 1.901 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.525 15.991 3.228 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.279 14.822 3.727 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.906 14.748 4.444 1.00 0.00 H new ATOM 196 N VAL A 14 3.816 11.228 1.783 1.00 0.00 N ATOM 197 CA VAL A 14 2.412 10.816 1.497 1.00 0.00 C ATOM 198 C VAL A 14 1.805 10.145 2.730 1.00 0.00 C ATOM 199 O VAL A 14 2.433 9.331 3.376 1.00 0.00 O ATOM 200 CB VAL A 14 2.411 9.831 0.325 1.00 0.00 C ATOM 201 CG1 VAL A 14 0.972 9.565 -0.132 1.00 0.00 C ATOM 202 CG2 VAL A 14 3.209 10.427 -0.833 1.00 0.00 C ATOM 0 H VAL A 14 4.530 10.702 1.279 1.00 0.00 H new ATOM 0 HA VAL A 14 1.819 11.695 1.244 1.00 0.00 H new ATOM 0 HB VAL A 14 2.865 8.892 0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.979 8.863 -0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.400 9.141 0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.512 10.501 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.211 9.729 -1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.752 11.366 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.234 10.611 -0.512 1.00 0.00 H new ATOM 212 N VAL A 15 0.578 10.481 3.053 1.00 0.00 N ATOM 213 CA VAL A 15 -0.101 9.871 4.238 1.00 0.00 C ATOM 214 C VAL A 15 -1.376 9.146 3.775 1.00 0.00 C ATOM 215 O VAL A 15 -2.469 9.667 3.891 1.00 0.00 O ATOM 216 CB VAL A 15 -0.467 10.975 5.225 1.00 0.00 C ATOM 217 CG1 VAL A 15 -1.121 10.352 6.459 1.00 0.00 C ATOM 218 CG2 VAL A 15 0.807 11.709 5.644 1.00 0.00 C ATOM 0 H VAL A 15 0.014 11.159 2.540 1.00 0.00 H new ATOM 0 HA VAL A 15 0.565 9.156 4.721 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.161 11.675 4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.384 11.138 7.167 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.022 9.815 6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.424 9.658 6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.555 12.501 6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.493 11.006 6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.282 12.144 4.765 1.00 0.00 H new ATOM 228 N PRO A 16 -1.233 7.953 3.239 1.00 0.00 N ATOM 229 CA PRO A 16 -2.384 7.146 2.737 1.00 0.00 C ATOM 230 C PRO A 16 -3.179 6.482 3.864 1.00 0.00 C ATOM 231 O PRO A 16 -2.661 6.205 4.929 1.00 0.00 O ATOM 232 CB PRO A 16 -1.721 6.104 1.825 1.00 0.00 C ATOM 233 CG PRO A 16 -0.342 5.917 2.381 1.00 0.00 C ATOM 234 CD PRO A 16 0.045 7.238 3.064 1.00 0.00 C ATOM 0 HA PRO A 16 -3.121 7.762 2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.277 5.167 1.828 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.686 6.450 0.792 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.321 5.093 3.094 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.364 5.670 1.588 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.535 7.061 4.022 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.740 7.812 2.452 1.00 0.00 H new ATOM 242 N GLU A 17 -4.437 6.227 3.633 1.00 0.00 N ATOM 243 CA GLU A 17 -5.280 5.586 4.681 1.00 0.00 C ATOM 244 C GLU A 17 -5.202 4.064 4.547 1.00 0.00 C ATOM 245 O GLU A 17 -5.223 3.518 3.462 1.00 0.00 O ATOM 246 CB GLU A 17 -6.728 6.049 4.511 1.00 0.00 C ATOM 247 CG GLU A 17 -6.821 7.553 4.790 1.00 0.00 C ATOM 248 CD GLU A 17 -6.476 7.832 6.256 1.00 0.00 C ATOM 249 OE1 GLU A 17 -6.544 6.904 7.044 1.00 0.00 O ATOM 250 OE2 GLU A 17 -6.146 8.966 6.562 1.00 0.00 O ATOM 0 H GLU A 17 -4.920 6.436 2.759 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.919 5.873 5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.073 5.834 3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.378 5.501 5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.138 8.096 4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.826 7.912 4.569 1.00 0.00 H new ATOM 257 N VAL A 18 -5.105 3.380 5.655 1.00 0.00 N ATOM 258 CA VAL A 18 -5.012 1.894 5.625 1.00 0.00 C ATOM 259 C VAL A 18 -6.411 1.285 5.640 1.00 0.00 C ATOM 260 O VAL A 18 -7.252 1.657 6.435 1.00 0.00 O ATOM 261 CB VAL A 18 -4.241 1.420 6.854 1.00 0.00 C ATOM 262 CG1 VAL A 18 -3.998 -0.087 6.755 1.00 0.00 C ATOM 263 CG2 VAL A 18 -2.898 2.153 6.919 1.00 0.00 C ATOM 0 H VAL A 18 -5.086 3.792 6.588 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.497 1.581 4.717 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.818 1.633 7.754 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.447 -0.425 7.633 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.954 -0.607 6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.419 -0.304 5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.343 1.818 7.795 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.321 1.937 6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.072 3.227 6.988 1.00 0.00 H new ATOM 273 N ARG A 19 -6.662 0.352 4.759 1.00 0.00 N ATOM 274 CA ARG A 19 -8.004 -0.301 4.697 1.00 0.00 C ATOM 275 C ARG A 19 -7.836 -1.813 4.754 1.00 0.00 C ATOM 276 O ARG A 19 -6.891 -2.369 4.231 1.00 0.00 O ATOM 277 CB ARG A 19 -8.692 0.093 3.386 1.00 0.00 C ATOM 278 CG ARG A 19 -8.866 1.619 3.322 1.00 0.00 C ATOM 279 CD ARG A 19 -10.070 2.048 4.170 1.00 0.00 C ATOM 280 NE ARG A 19 -10.290 3.513 4.023 1.00 0.00 N ATOM 281 CZ ARG A 19 -10.908 3.984 2.976 1.00 0.00 C ATOM 282 NH1 ARG A 19 -11.295 3.180 2.022 1.00 0.00 N ATOM 283 NH2 ARG A 19 -11.137 5.263 2.884 1.00 0.00 N ATOM 0 H ARG A 19 -5.988 0.011 4.073 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.612 0.024 5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.100 -0.250 2.538 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.664 -0.395 3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.963 2.111 3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.009 1.934 2.288 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.961 1.503 3.856 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.897 1.800 5.217 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.956 4.151 4.745 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.114 2.179 2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.778 3.553 1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.833 5.890 3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.620 5.637 2.067 1.00 0.00 H new ATOM 297 N LEU A 20 -8.757 -2.478 5.400 1.00 0.00 N ATOM 298 CA LEU A 20 -8.689 -3.963 5.524 1.00 0.00 C ATOM 299 C LEU A 20 -9.775 -4.590 4.656 1.00 0.00 C ATOM 300 O LEU A 20 -10.919 -4.179 4.684 1.00 0.00 O ATOM 301 CB LEU A 20 -8.911 -4.350 6.986 1.00 0.00 C ATOM 302 CG LEU A 20 -7.851 -3.674 7.866 1.00 0.00 C ATOM 303 CD1 LEU A 20 -8.122 -4.015 9.334 1.00 0.00 C ATOM 304 CD2 LEU A 20 -6.446 -4.165 7.473 1.00 0.00 C ATOM 0 H LEU A 20 -9.564 -2.049 5.853 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.713 -4.321 5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.909 -4.048 7.305 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.854 -5.433 7.098 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.900 -2.595 7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.371 -3.537 9.963 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.112 -3.656 9.614 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.076 -5.095 9.471 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.701 -3.679 8.103 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.387 -5.245 7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.253 -3.919 6.429 1.00 0.00 H new ATOM 316 N SER A 21 -9.418 -5.581 3.879 1.00 0.00 N ATOM 317 CA SER A 21 -10.409 -6.256 2.988 1.00 0.00 C ATOM 318 C SER A 21 -10.473 -7.740 3.330 1.00 0.00 C ATOM 319 O SER A 21 -9.518 -8.316 3.814 1.00 0.00 O ATOM 320 CB SER A 21 -9.969 -6.095 1.535 1.00 0.00 C ATOM 321 OG SER A 21 -10.867 -6.806 0.694 1.00 0.00 O ATOM 0 H SER A 21 -8.471 -5.955 3.824 1.00 0.00 H new ATOM 0 HA SER A 21 -11.392 -5.806 3.129 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.954 -5.040 1.262 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.955 -6.472 1.406 1.00 0.00 H new ATOM 0 HG SER A 21 -10.365 -7.444 0.144 1.00 0.00 H new ATOM 327 N LYS A 22 -11.597 -8.361 3.085 1.00 0.00 N ATOM 328 CA LYS A 22 -11.750 -9.815 3.392 1.00 0.00 C ATOM 329 C LYS A 22 -12.389 -10.533 2.203 1.00 0.00 C ATOM 330 O LYS A 22 -13.117 -9.951 1.423 1.00 0.00 O ATOM 331 CB LYS A 22 -12.638 -9.981 4.625 1.00 0.00 C ATOM 332 CG LYS A 22 -12.706 -11.463 4.994 1.00 0.00 C ATOM 333 CD LYS A 22 -13.497 -11.638 6.289 1.00 0.00 C ATOM 334 CE LYS A 22 -13.532 -13.119 6.662 1.00 0.00 C ATOM 335 NZ LYS A 22 -14.361 -13.861 5.669 1.00 0.00 N ATOM 0 H LYS A 22 -12.423 -7.919 2.682 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.768 -10.248 3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.237 -9.404 5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.638 -9.597 4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.179 -12.026 4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.700 -11.864 5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.037 -11.060 7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.511 -11.259 6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.520 -13.524 6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.946 -13.244 7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.640 -14.780 6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.213 -13.308 5.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.809 -14.014 4.801 1.00 0.00 H new ATOM 349 N SER A 23 -12.112 -11.801 2.062 1.00 0.00 N ATOM 350 CA SER A 23 -12.682 -12.583 0.931 1.00 0.00 C ATOM 351 C SER A 23 -14.203 -12.671 1.088 1.00 0.00 C ATOM 352 O SER A 23 -14.886 -13.271 0.282 1.00 0.00 O ATOM 353 CB SER A 23 -12.081 -13.989 0.958 1.00 0.00 C ATOM 354 OG SER A 23 -12.497 -14.653 2.147 1.00 0.00 O ATOM 0 H SER A 23 -11.509 -12.333 2.690 1.00 0.00 H new ATOM 0 HA SER A 23 -12.448 -12.097 -0.016 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.402 -14.552 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.993 -13.933 0.920 1.00 0.00 H new ATOM 0 HG SER A 23 -12.116 -15.556 2.168 1.00 0.00 H new ATOM 420 N SER A 28 -9.260 -16.230 4.194 1.00 0.00 N ATOM 421 CA SER A 28 -8.116 -15.610 3.459 1.00 0.00 C ATOM 422 C SER A 28 -7.921 -14.153 3.894 1.00 0.00 C ATOM 423 O SER A 28 -8.783 -13.314 3.718 1.00 0.00 O ATOM 424 CB SER A 28 -8.388 -15.670 1.958 1.00 0.00 C ATOM 425 OG SER A 28 -7.575 -14.712 1.294 1.00 0.00 O ATOM 0 HA SER A 28 -7.206 -16.163 3.690 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.176 -16.669 1.578 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.441 -15.470 1.759 1.00 0.00 H new ATOM 0 HG SER A 28 -6.688 -14.692 1.709 1.00 0.00 H new ATOM 431 N GLY A 29 -6.788 -13.861 4.470 1.00 0.00 N ATOM 432 CA GLY A 29 -6.505 -12.474 4.938 1.00 0.00 C ATOM 433 C GLY A 29 -6.192 -11.569 3.749 1.00 0.00 C ATOM 434 O GLY A 29 -5.524 -11.961 2.812 1.00 0.00 O ATOM 0 H GLY A 29 -6.038 -14.531 4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.364 -12.085 5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.663 -12.481 5.630 1.00 0.00 H new ATOM 438 N MET A 30 -6.659 -10.350 3.784 1.00 0.00 N ATOM 439 CA MET A 30 -6.382 -9.411 2.662 1.00 0.00 C ATOM 440 C MET A 30 -6.420 -7.973 3.178 1.00 0.00 C ATOM 441 O MET A 30 -7.117 -7.658 4.123 1.00 0.00 O ATOM 442 CB MET A 30 -7.444 -9.592 1.577 1.00 0.00 C ATOM 443 CG MET A 30 -7.092 -8.730 0.363 1.00 0.00 C ATOM 444 SD MET A 30 -8.382 -8.910 -0.893 1.00 0.00 S ATOM 445 CE MET A 30 -7.625 -10.274 -1.809 1.00 0.00 C ATOM 0 H MET A 30 -7.221 -9.965 4.543 1.00 0.00 H new ATOM 0 HA MET A 30 -5.396 -9.620 2.247 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.505 -10.641 1.285 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.424 -9.311 1.963 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.000 -7.685 0.659 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.127 -9.032 -0.044 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.327 -10.645 -2.555 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.721 -9.921 -2.305 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.370 -11.078 -1.119 1.00 0.00 H new ATOM 455 N ALA A 31 -5.681 -7.092 2.555 1.00 0.00 N ATOM 456 CA ALA A 31 -5.674 -5.665 2.992 1.00 0.00 C ATOM 457 C ALA A 31 -5.580 -4.764 1.763 1.00 0.00 C ATOM 458 O ALA A 31 -4.978 -5.119 0.770 1.00 0.00 O ATOM 459 CB ALA A 31 -4.473 -5.410 3.907 1.00 0.00 C ATOM 0 H ALA A 31 -5.079 -7.301 1.758 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.592 -5.447 3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.472 -4.367 4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.540 -6.055 4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.551 -5.626 3.367 1.00 0.00 H new ATOM 465 N LYS A 32 -6.172 -3.599 1.828 1.00 0.00 N ATOM 466 CA LYS A 32 -6.131 -2.651 0.673 1.00 0.00 C ATOM 467 C LYS A 32 -5.609 -1.294 1.136 1.00 0.00 C ATOM 468 O LYS A 32 -5.848 -0.872 2.249 1.00 0.00 O ATOM 469 CB LYS A 32 -7.538 -2.490 0.099 1.00 0.00 C ATOM 470 CG LYS A 32 -7.957 -3.797 -0.573 1.00 0.00 C ATOM 471 CD LYS A 32 -9.355 -3.638 -1.173 1.00 0.00 C ATOM 472 CE LYS A 32 -9.770 -4.945 -1.850 1.00 0.00 C ATOM 473 NZ LYS A 32 -11.131 -4.791 -2.435 1.00 0.00 N ATOM 0 H LYS A 32 -6.687 -3.260 2.640 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.466 -3.046 -0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.240 -2.233 0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.559 -1.673 -0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.243 -4.062 -1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.952 -4.610 0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.070 -3.377 -0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.361 -2.823 -1.897 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.055 -5.206 -2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.764 -5.760 -1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.414 -5.680 -2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.809 -4.561 -1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.122 -4.025 -3.138 1.00 0.00 H new ATOM 487 N PHE A 33 -4.891 -0.611 0.280 1.00 0.00 N ATOM 488 CA PHE A 33 -4.337 0.729 0.639 1.00 0.00 C ATOM 489 C PHE A 33 -4.940 1.784 -0.280 1.00 0.00 C ATOM 490 O PHE A 33 -5.114 1.563 -1.464 1.00 0.00 O ATOM 491 CB PHE A 33 -2.821 0.708 0.455 1.00 0.00 C ATOM 492 CG PHE A 33 -2.206 -0.125 1.548 1.00 0.00 C ATOM 493 CD1 PHE A 33 -1.971 0.441 2.804 1.00 0.00 C ATOM 494 CD2 PHE A 33 -1.874 -1.464 1.308 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.404 -0.330 3.824 1.00 0.00 C ATOM 496 CE2 PHE A 33 -1.307 -2.236 2.326 1.00 0.00 C ATOM 497 CZ PHE A 33 -1.073 -1.669 3.585 1.00 0.00 C ATOM 0 H PHE A 33 -4.663 -0.929 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.580 0.964 1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.566 0.296 -0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.424 1.723 0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.227 1.474 2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.056 -1.900 0.337 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.222 0.107 4.795 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.050 -3.269 2.142 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.637 -2.266 4.372 1.00 0.00 H new ATOM 507 N TYR A 34 -5.257 2.931 0.266 1.00 0.00 N ATOM 508 CA TYR A 34 -5.854 4.031 -0.548 1.00 0.00 C ATOM 509 C TYR A 34 -4.931 5.245 -0.510 1.00 0.00 C ATOM 510 O TYR A 34 -4.566 5.730 0.544 1.00 0.00 O ATOM 511 CB TYR A 34 -7.216 4.406 0.033 1.00 0.00 C ATOM 512 CG TYR A 34 -7.798 5.541 -0.771 1.00 0.00 C ATOM 513 CD1 TYR A 34 -8.273 5.304 -2.066 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.856 6.832 -0.231 1.00 0.00 C ATOM 515 CE1 TYR A 34 -8.809 6.353 -2.819 1.00 0.00 C ATOM 516 CE2 TYR A 34 -8.392 7.882 -0.985 1.00 0.00 C ATOM 517 CZ TYR A 34 -8.868 7.643 -2.279 1.00 0.00 C ATOM 518 OH TYR A 34 -9.395 8.679 -3.022 1.00 0.00 O ATOM 0 H TYR A 34 -5.126 3.154 1.253 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.977 3.701 -1.579 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.885 3.546 0.009 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.112 4.699 1.078 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.225 4.309 -2.484 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.487 7.017 0.767 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.177 6.168 -3.817 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.438 8.877 -0.568 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.362 9.507 -2.499 1.00 0.00 H new ATOM 528 N PHE A 35 -4.552 5.735 -1.661 1.00 0.00 N ATOM 529 CA PHE A 35 -3.646 6.920 -1.733 1.00 0.00 C ATOM 530 C PHE A 35 -4.428 8.119 -2.260 1.00 0.00 C ATOM 531 O PHE A 35 -4.980 8.084 -3.345 1.00 0.00 O ATOM 532 CB PHE A 35 -2.498 6.601 -2.685 1.00 0.00 C ATOM 533 CG PHE A 35 -1.707 5.433 -2.145 1.00 0.00 C ATOM 534 CD1 PHE A 35 -2.159 4.125 -2.361 1.00 0.00 C ATOM 535 CD2 PHE A 35 -0.527 5.657 -1.426 1.00 0.00 C ATOM 536 CE1 PHE A 35 -1.428 3.040 -1.859 1.00 0.00 C ATOM 537 CE2 PHE A 35 0.202 4.572 -0.925 1.00 0.00 C ATOM 538 CZ PHE A 35 -0.248 3.265 -1.141 1.00 0.00 C ATOM 0 H PHE A 35 -4.835 5.360 -2.566 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.252 7.153 -0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.887 6.364 -3.675 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.851 7.471 -2.797 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.070 3.953 -2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.179 6.666 -1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.775 2.031 -2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.113 4.744 -0.371 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.316 2.429 -0.753 1.00 0.00 H new ATOM 548 N LEU A 36 -4.483 9.178 -1.491 1.00 0.00 N ATOM 549 CA LEU A 36 -5.232 10.393 -1.922 1.00 0.00 C ATOM 550 C LEU A 36 -4.276 11.393 -2.571 1.00 0.00 C ATOM 551 O LEU A 36 -3.309 11.824 -1.975 1.00 0.00 O ATOM 552 CB LEU A 36 -5.898 11.035 -0.696 1.00 0.00 C ATOM 553 CG LEU A 36 -6.605 12.342 -1.094 1.00 0.00 C ATOM 554 CD1 LEU A 36 -7.615 12.079 -2.223 1.00 0.00 C ATOM 555 CD2 LEU A 36 -7.336 12.907 0.131 1.00 0.00 C ATOM 0 H LEU A 36 -4.037 9.251 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.994 10.111 -2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.618 10.342 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.148 11.238 0.069 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.865 13.059 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.108 13.012 -2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.093 11.678 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.361 11.360 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.840 13.834 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.072 12.183 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.616 13.106 0.925 1.00 0.00 H new ATOM 567 N GLU A 37 -4.563 11.766 -3.790 1.00 0.00 N ATOM 568 CA GLU A 37 -3.714 12.748 -4.530 1.00 0.00 C ATOM 569 C GLU A 37 -2.229 12.539 -4.217 1.00 0.00 C ATOM 570 O GLU A 37 -1.551 13.443 -3.767 1.00 0.00 O ATOM 571 CB GLU A 37 -4.129 14.173 -4.137 1.00 0.00 C ATOM 572 CG GLU A 37 -5.453 14.537 -4.830 1.00 0.00 C ATOM 573 CD GLU A 37 -5.182 14.983 -6.270 1.00 0.00 C ATOM 574 OE1 GLU A 37 -4.152 14.603 -6.805 1.00 0.00 O ATOM 575 OE2 GLU A 37 -6.007 15.697 -6.814 1.00 0.00 O ATOM 0 H GLU A 37 -5.368 11.424 -4.316 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.860 12.597 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.242 14.244 -3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.351 14.881 -4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.124 13.678 -4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.954 15.335 -4.281 1.00 0.00 H new ATOM 582 N PRO A 38 -1.720 11.363 -4.466 1.00 0.00 N ATOM 583 CA PRO A 38 -0.284 11.050 -4.221 1.00 0.00 C ATOM 584 C PRO A 38 0.637 11.798 -5.196 1.00 0.00 C ATOM 585 O PRO A 38 0.273 12.087 -6.319 1.00 0.00 O ATOM 586 CB PRO A 38 -0.198 9.528 -4.406 1.00 0.00 C ATOM 587 CG PRO A 38 -1.353 9.172 -5.295 1.00 0.00 C ATOM 588 CD PRO A 38 -2.451 10.205 -5.011 1.00 0.00 C ATOM 0 HA PRO A 38 0.047 11.366 -3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.751 9.240 -4.859 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.264 9.011 -3.449 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.058 9.197 -6.344 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.706 8.162 -5.087 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.996 10.468 -5.918 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.183 9.824 -4.299 1.00 0.00 H new ATOM 596 N THR A 39 1.819 12.125 -4.760 1.00 0.00 N ATOM 597 CA THR A 39 2.772 12.869 -5.630 1.00 0.00 C ATOM 598 C THR A 39 3.385 11.929 -6.673 1.00 0.00 C ATOM 599 O THR A 39 4.018 12.361 -7.615 1.00 0.00 O ATOM 600 CB THR A 39 3.882 13.467 -4.759 1.00 0.00 C ATOM 601 OG1 THR A 39 4.844 14.101 -5.589 1.00 0.00 O ATOM 602 CG2 THR A 39 4.560 12.361 -3.946 1.00 0.00 C ATOM 0 H THR A 39 2.171 11.907 -3.828 1.00 0.00 H new ATOM 0 HA THR A 39 2.238 13.665 -6.149 1.00 0.00 H new ATOM 0 HB THR A 39 3.448 14.198 -4.077 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.827 13.693 -6.480 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.348 12.794 -3.329 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.823 11.876 -3.306 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.993 11.625 -4.623 1.00 0.00 H new ATOM 610 N ILE A 40 3.224 10.649 -6.501 1.00 0.00 N ATOM 611 CA ILE A 40 3.819 9.686 -7.471 1.00 0.00 C ATOM 612 C ILE A 40 3.147 9.849 -8.842 1.00 0.00 C ATOM 613 O ILE A 40 3.486 9.178 -9.797 1.00 0.00 O ATOM 614 CB ILE A 40 3.612 8.261 -6.928 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.587 7.288 -7.614 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.169 7.804 -7.183 1.00 0.00 C ATOM 617 CD1 ILE A 40 6.041 7.597 -7.209 1.00 0.00 C ATOM 0 H ILE A 40 2.706 10.226 -5.731 1.00 0.00 H new ATOM 0 HA ILE A 40 4.885 9.877 -7.592 1.00 0.00 H new ATOM 0 HB ILE A 40 3.803 8.266 -5.855 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.338 6.263 -7.340 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.482 7.363 -8.696 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.033 6.794 -6.795 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.479 8.482 -6.681 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.969 7.811 -8.255 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.713 6.897 -7.705 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.293 8.615 -7.506 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.147 7.498 -6.129 1.00 0.00 H new ATOM 629 N LEU A 41 2.194 10.737 -8.946 1.00 0.00 N ATOM 630 CA LEU A 41 1.499 10.947 -10.250 1.00 0.00 C ATOM 631 C LEU A 41 2.231 12.033 -11.035 1.00 0.00 C ATOM 632 O LEU A 41 2.001 12.223 -12.214 1.00 0.00 O ATOM 633 CB LEU A 41 0.065 11.399 -9.979 1.00 0.00 C ATOM 634 CG LEU A 41 -0.654 10.345 -9.130 1.00 0.00 C ATOM 635 CD1 LEU A 41 -2.062 10.843 -8.787 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.749 9.016 -9.903 1.00 0.00 C ATOM 0 H LEU A 41 1.866 11.328 -8.182 1.00 0.00 H new ATOM 0 HA LEU A 41 1.492 10.021 -10.824 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.067 12.358 -9.461 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.465 11.546 -10.920 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.090 10.180 -8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.575 10.095 -8.183 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.992 11.776 -8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.622 11.013 -9.707 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.262 8.275 -9.290 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.306 9.171 -10.827 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.254 8.660 -10.140 1.00 0.00 H new ATOM 648 N ALA A 42 3.114 12.744 -10.388 1.00 0.00 N ATOM 649 CA ALA A 42 3.882 13.824 -11.076 1.00 0.00 C ATOM 650 C ALA A 42 5.302 13.330 -11.347 1.00 0.00 C ATOM 651 O ALA A 42 5.995 13.836 -12.207 1.00 0.00 O ATOM 652 CB ALA A 42 3.935 15.056 -10.169 1.00 0.00 C ATOM 0 H ALA A 42 3.339 12.622 -9.401 1.00 0.00 H new ATOM 0 HA ALA A 42 3.398 14.084 -12.018 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.495 15.849 -10.665 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.921 15.401 -9.964 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.427 14.797 -9.231 1.00 0.00 H new ATOM 658 N LYS A 43 5.743 12.347 -10.610 1.00 0.00 N ATOM 659 CA LYS A 43 7.121 11.816 -10.807 1.00 0.00 C ATOM 660 C LYS A 43 7.112 10.730 -11.880 1.00 0.00 C ATOM 661 O LYS A 43 7.545 10.943 -12.994 1.00 0.00 O ATOM 662 CB LYS A 43 7.623 11.213 -9.494 1.00 0.00 C ATOM 663 CG LYS A 43 7.504 12.242 -8.365 1.00 0.00 C ATOM 664 CD LYS A 43 8.454 13.419 -8.621 1.00 0.00 C ATOM 665 CE LYS A 43 8.662 14.210 -7.326 1.00 0.00 C ATOM 666 NZ LYS A 43 9.658 13.507 -6.472 1.00 0.00 N ATOM 0 H LYS A 43 5.205 11.887 -9.876 1.00 0.00 H new ATOM 0 HA LYS A 43 7.775 12.630 -11.120 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.044 10.323 -9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.661 10.898 -9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.477 12.602 -8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.742 11.774 -7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.411 13.052 -8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.042 14.069 -9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.009 15.218 -7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.717 14.311 -6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.316 13.479 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.790 12.536 -6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.565 14.014 -6.508 1.00 0.00 H new ATOM 680 N GLU A 44 6.638 9.554 -11.544 1.00 0.00 N ATOM 681 CA GLU A 44 6.617 8.429 -12.530 1.00 0.00 C ATOM 682 C GLU A 44 5.196 8.183 -13.033 1.00 0.00 C ATOM 683 O GLU A 44 4.222 8.593 -12.431 1.00 0.00 O ATOM 684 CB GLU A 44 7.142 7.159 -11.859 1.00 0.00 C ATOM 685 CG GLU A 44 8.616 7.343 -11.487 1.00 0.00 C ATOM 686 CD GLU A 44 9.455 7.510 -12.757 1.00 0.00 C ATOM 687 OE1 GLU A 44 8.978 7.126 -13.813 1.00 0.00 O ATOM 688 OE2 GLU A 44 10.558 8.024 -12.654 1.00 0.00 O ATOM 0 H GLU A 44 6.263 9.325 -10.624 1.00 0.00 H new ATOM 0 HA GLU A 44 7.249 8.693 -13.378 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.556 6.939 -10.966 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.030 6.308 -12.531 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.732 8.217 -10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.967 6.482 -10.919 1.00 0.00 H new ATOM 695 N SER A 45 5.084 7.519 -14.150 1.00 0.00 N ATOM 696 CA SER A 45 3.747 7.235 -14.737 1.00 0.00 C ATOM 697 C SER A 45 3.050 6.105 -13.977 1.00 0.00 C ATOM 698 O SER A 45 3.654 5.385 -13.207 1.00 0.00 O ATOM 699 CB SER A 45 3.925 6.825 -16.197 1.00 0.00 C ATOM 700 OG SER A 45 4.272 5.446 -16.258 1.00 0.00 O ATOM 0 H SER A 45 5.872 7.157 -14.687 1.00 0.00 H new ATOM 0 HA SER A 45 3.132 8.132 -14.666 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.005 7.005 -16.752 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.703 7.429 -16.664 1.00 0.00 H new ATOM 0 HG SER A 45 4.386 5.178 -17.194 1.00 0.00 H new ATOM 706 N THR A 46 1.775 5.953 -14.201 1.00 0.00 N ATOM 707 CA THR A 46 1.002 4.879 -13.517 1.00 0.00 C ATOM 708 C THR A 46 1.491 3.509 -13.984 1.00 0.00 C ATOM 709 O THR A 46 1.456 2.540 -13.253 1.00 0.00 O ATOM 710 CB THR A 46 -0.479 5.037 -13.861 1.00 0.00 C ATOM 711 OG1 THR A 46 -0.617 5.195 -15.266 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.053 6.258 -13.140 1.00 0.00 C ATOM 0 H THR A 46 1.229 6.534 -14.837 1.00 0.00 H new ATOM 0 HA THR A 46 1.143 4.958 -12.439 1.00 0.00 H new ATOM 0 HB THR A 46 -1.025 4.150 -13.539 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.565 5.295 -15.492 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.109 6.365 -13.389 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.946 6.128 -12.063 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.514 7.152 -13.453 1.00 0.00 H new ATOM 720 N ASP A 47 1.934 3.418 -15.206 1.00 0.00 N ATOM 721 CA ASP A 47 2.416 2.114 -15.735 1.00 0.00 C ATOM 722 C ASP A 47 3.739 1.737 -15.058 1.00 0.00 C ATOM 723 O ASP A 47 4.151 0.594 -15.076 1.00 0.00 O ATOM 724 CB ASP A 47 2.625 2.240 -17.243 1.00 0.00 C ATOM 725 CG ASP A 47 1.267 2.356 -17.938 1.00 0.00 C ATOM 726 OD1 ASP A 47 0.266 2.083 -17.296 1.00 0.00 O ATOM 727 OD2 ASP A 47 1.250 2.720 -19.103 1.00 0.00 O ATOM 0 H ASP A 47 1.983 4.196 -15.864 1.00 0.00 H new ATOM 0 HA ASP A 47 1.680 1.337 -15.528 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.235 3.116 -17.464 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.165 1.372 -17.620 1.00 0.00 H new ATOM 732 N ASP A 48 4.407 2.690 -14.461 1.00 0.00 N ATOM 733 CA ASP A 48 5.702 2.391 -13.777 1.00 0.00 C ATOM 734 C ASP A 48 5.443 2.106 -12.297 1.00 0.00 C ATOM 735 O ASP A 48 6.328 1.719 -11.563 1.00 0.00 O ATOM 736 CB ASP A 48 6.633 3.598 -13.902 1.00 0.00 C ATOM 737 CG ASP A 48 7.117 3.733 -15.348 1.00 0.00 C ATOM 738 OD1 ASP A 48 6.950 2.789 -16.100 1.00 0.00 O ATOM 739 OD2 ASP A 48 7.650 4.781 -15.676 1.00 0.00 O ATOM 0 H ASP A 48 4.111 3.665 -14.417 1.00 0.00 H new ATOM 0 HA ASP A 48 6.165 1.520 -14.242 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.110 4.505 -13.598 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.486 3.482 -13.233 1.00 0.00 H new ATOM 744 N ILE A 49 4.228 2.294 -11.852 1.00 0.00 N ATOM 745 CA ILE A 49 3.909 2.032 -10.418 1.00 0.00 C ATOM 746 C ILE A 49 3.604 0.546 -10.236 1.00 0.00 C ATOM 747 O ILE A 49 3.441 0.067 -9.133 1.00 0.00 O ATOM 748 CB ILE A 49 2.682 2.853 -10.005 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.034 4.347 -10.024 1.00 0.00 C ATOM 750 CG2 ILE A 49 2.231 2.436 -8.602 1.00 0.00 C ATOM 751 CD1 ILE A 49 1.779 5.191 -9.752 1.00 0.00 C ATOM 0 H ILE A 49 3.444 2.617 -12.419 1.00 0.00 H new ATOM 0 HA ILE A 49 4.760 2.315 -9.798 1.00 0.00 H new ATOM 0 HB ILE A 49 1.868 2.670 -10.707 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.794 4.559 -9.272 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.459 4.616 -10.991 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.359 3.021 -8.311 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.974 1.377 -8.602 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.039 2.613 -7.892 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.041 6.249 -9.768 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.032 4.991 -10.520 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.372 4.933 -8.774 1.00 0.00 H new ATOM 763 N THR A 50 3.513 -0.174 -11.318 1.00 0.00 N ATOM 764 CA THR A 50 3.196 -1.632 -11.243 1.00 0.00 C ATOM 765 C THR A 50 3.921 -2.287 -10.064 1.00 0.00 C ATOM 766 O THR A 50 5.131 -2.241 -9.953 1.00 0.00 O ATOM 767 CB THR A 50 3.630 -2.308 -12.547 1.00 0.00 C ATOM 768 OG1 THR A 50 3.121 -1.570 -13.649 1.00 0.00 O ATOM 769 CG2 THR A 50 3.088 -3.739 -12.594 1.00 0.00 C ATOM 0 H THR A 50 3.646 0.187 -12.263 1.00 0.00 H new ATOM 0 HA THR A 50 2.122 -1.750 -11.097 1.00 0.00 H new ATOM 0 HB THR A 50 4.719 -2.337 -12.596 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.779 -0.898 -13.924 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.399 -4.216 -13.523 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.479 -4.304 -11.748 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.999 -3.718 -12.544 1.00 0.00 H new ATOM 777 N GLY A 51 3.176 -2.902 -9.186 1.00 0.00 N ATOM 778 CA GLY A 51 3.785 -3.581 -8.008 1.00 0.00 C ATOM 779 C GLY A 51 4.002 -2.584 -6.867 1.00 0.00 C ATOM 780 O GLY A 51 4.048 -1.387 -7.067 1.00 0.00 O ATOM 0 H GLY A 51 2.159 -2.963 -9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.137 -4.391 -7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.737 -4.031 -8.292 1.00 0.00 H new ATOM 784 N MET A 52 4.147 -3.088 -5.666 1.00 0.00 N ATOM 785 CA MET A 52 4.375 -2.205 -4.481 1.00 0.00 C ATOM 786 C MET A 52 5.497 -2.807 -3.633 1.00 0.00 C ATOM 787 O MET A 52 5.615 -4.020 -3.515 1.00 0.00 O ATOM 788 CB MET A 52 3.095 -2.124 -3.645 1.00 0.00 C ATOM 789 CG MET A 52 3.290 -1.124 -2.502 1.00 0.00 C ATOM 790 SD MET A 52 1.819 -1.121 -1.447 1.00 0.00 S ATOM 791 CE MET A 52 0.921 0.188 -2.313 1.00 0.00 C ATOM 0 H MET A 52 4.117 -4.085 -5.455 1.00 0.00 H new ATOM 0 HA MET A 52 4.649 -1.203 -4.812 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.258 -1.816 -4.272 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.848 -3.107 -3.244 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.170 -1.391 -1.917 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.465 -0.126 -2.903 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.051 0.334 -1.843 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.492 1.115 -2.263 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.781 -0.096 -3.356 1.00 0.00 H new ATOM 801 N TYR A 53 6.318 -1.967 -3.046 1.00 0.00 N ATOM 802 CA TYR A 53 7.448 -2.459 -2.196 1.00 0.00 C ATOM 803 C TYR A 53 7.264 -1.959 -0.761 1.00 0.00 C ATOM 804 O TYR A 53 7.406 -0.785 -0.475 1.00 0.00 O ATOM 805 CB TYR A 53 8.762 -1.924 -2.768 1.00 0.00 C ATOM 806 CG TYR A 53 8.947 -2.467 -4.166 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.303 -1.852 -5.247 1.00 0.00 C ATOM 808 CD2 TYR A 53 9.756 -3.587 -4.380 1.00 0.00 C ATOM 809 CE1 TYR A 53 8.470 -2.359 -6.542 1.00 0.00 C ATOM 810 CE2 TYR A 53 9.924 -4.094 -5.674 1.00 0.00 C ATOM 811 CZ TYR A 53 9.279 -3.481 -6.755 1.00 0.00 C ATOM 812 OH TYR A 53 9.444 -3.981 -8.031 1.00 0.00 O ATOM 0 H TYR A 53 6.252 -0.952 -3.121 1.00 0.00 H new ATOM 0 HA TYR A 53 7.465 -3.549 -2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.749 -0.834 -2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.597 -2.222 -2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.678 -0.987 -5.082 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.252 -4.062 -3.546 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.975 -1.884 -7.376 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.551 -4.958 -5.838 1.00 0.00 H new ATOM 0 HH TYR A 53 10.037 -4.761 -8.003 1.00 0.00 H new ATOM 822 N LEU A 54 6.952 -2.849 0.144 1.00 0.00 N ATOM 823 CA LEU A 54 6.759 -2.444 1.568 1.00 0.00 C ATOM 824 C LEU A 54 8.103 -2.468 2.281 1.00 0.00 C ATOM 825 O LEU A 54 8.844 -3.424 2.177 1.00 0.00 O ATOM 826 CB LEU A 54 5.802 -3.423 2.252 1.00 0.00 C ATOM 827 CG LEU A 54 4.446 -3.414 1.534 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.508 -4.427 2.206 1.00 0.00 C ATOM 829 CD2 LEU A 54 3.822 -2.008 1.600 1.00 0.00 C ATOM 0 H LEU A 54 6.822 -3.843 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 54 6.339 -1.439 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.224 -4.428 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.671 -3.147 3.298 1.00 0.00 H new ATOM 0 HG LEU A 54 4.592 -3.687 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.544 -4.423 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.945 -5.424 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.368 -4.155 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.860 -2.012 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.677 -1.723 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.487 -1.292 1.117 1.00 0.00 H new ATOM 841 N ILE A 55 8.425 -1.415 2.998 1.00 0.00 N ATOM 842 CA ILE A 55 9.734 -1.350 3.722 1.00 0.00 C ATOM 843 C ILE A 55 9.498 -1.161 5.219 1.00 0.00 C ATOM 844 O ILE A 55 8.711 -0.334 5.639 1.00 0.00 O ATOM 845 CB ILE A 55 10.544 -0.163 3.195 1.00 0.00 C ATOM 846 CG1 ILE A 55 10.813 -0.339 1.683 1.00 0.00 C ATOM 847 CG2 ILE A 55 11.871 -0.067 3.964 1.00 0.00 C ATOM 848 CD1 ILE A 55 12.034 -1.238 1.439 1.00 0.00 C ATOM 0 H ILE A 55 7.832 -0.593 3.112 1.00 0.00 H new ATOM 0 HA ILE A 55 10.277 -2.280 3.556 1.00 0.00 H new ATOM 0 HB ILE A 55 9.978 0.757 3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.936 -0.773 1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.978 0.636 1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.448 0.778 3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.667 0.075 5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.440 -0.986 3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.199 -1.344 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.914 -0.789 1.899 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.856 -2.220 1.878 1.00 0.00 H new ATOM 860 N ASP A 56 10.187 -1.924 6.024 1.00 0.00 N ATOM 861 CA ASP A 56 10.042 -1.811 7.505 1.00 0.00 C ATOM 862 C ASP A 56 11.441 -1.779 8.127 1.00 0.00 C ATOM 863 O ASP A 56 11.709 -2.423 9.122 1.00 0.00 O ATOM 864 CB ASP A 56 9.258 -3.021 8.026 1.00 0.00 C ATOM 865 CG ASP A 56 7.781 -2.868 7.649 1.00 0.00 C ATOM 866 OD1 ASP A 56 7.398 -1.776 7.261 1.00 0.00 O ATOM 867 OD2 ASP A 56 7.058 -3.844 7.753 1.00 0.00 O ATOM 0 H ASP A 56 10.854 -2.631 5.714 1.00 0.00 H new ATOM 0 HA ASP A 56 9.504 -0.901 7.771 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.660 -3.940 7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.363 -3.098 9.108 1.00 0.00 H new ATOM 872 N ASP A 57 12.340 -1.032 7.535 1.00 0.00 N ATOM 873 CA ASP A 57 13.733 -0.947 8.068 1.00 0.00 C ATOM 874 C ASP A 57 14.232 -2.351 8.423 1.00 0.00 C ATOM 875 O ASP A 57 15.201 -2.518 9.137 1.00 0.00 O ATOM 876 CB ASP A 57 13.758 -0.050 9.307 1.00 0.00 C ATOM 877 CG ASP A 57 13.560 1.408 8.884 1.00 0.00 C ATOM 878 OD1 ASP A 57 13.656 1.678 7.697 1.00 0.00 O ATOM 879 OD2 ASP A 57 13.312 2.229 9.752 1.00 0.00 O ATOM 0 H ASP A 57 12.166 -0.474 6.699 1.00 0.00 H new ATOM 0 HA ASP A 57 14.387 -0.518 7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.973 -0.348 10.001 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.707 -0.162 9.832 1.00 0.00 H new ATOM 884 N GLU A 58 13.584 -3.359 7.910 1.00 0.00 N ATOM 885 CA GLU A 58 14.017 -4.757 8.189 1.00 0.00 C ATOM 886 C GLU A 58 13.242 -5.713 7.283 1.00 0.00 C ATOM 887 O GLU A 58 12.248 -6.294 7.674 1.00 0.00 O ATOM 888 CB GLU A 58 13.759 -5.111 9.653 1.00 0.00 C ATOM 889 CG GLU A 58 14.278 -6.527 9.932 1.00 0.00 C ATOM 890 CD GLU A 58 14.108 -6.864 11.415 1.00 0.00 C ATOM 891 OE1 GLU A 58 13.890 -5.946 12.190 1.00 0.00 O ATOM 892 OE2 GLU A 58 14.202 -8.033 11.750 1.00 0.00 O ATOM 0 H GLU A 58 12.767 -3.274 7.305 1.00 0.00 H new ATOM 0 HA GLU A 58 15.085 -4.847 7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.257 -4.394 10.306 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.693 -5.053 9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.735 -7.249 9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.329 -6.600 9.652 1.00 0.00 H new ATOM 899 N GLY A 59 13.703 -5.882 6.077 1.00 0.00 N ATOM 900 CA GLY A 59 13.024 -6.808 5.120 1.00 0.00 C ATOM 901 C GLY A 59 11.939 -6.067 4.339 1.00 0.00 C ATOM 902 O GLY A 59 11.429 -5.050 4.771 1.00 0.00 O ATOM 0 H GLY A 59 14.530 -5.415 5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.756 -7.228 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.583 -7.644 5.664 1.00 0.00 H new ATOM 906 N GLU A 60 11.575 -6.576 3.187 1.00 0.00 N ATOM 907 CA GLU A 60 10.515 -5.914 2.369 1.00 0.00 C ATOM 908 C GLU A 60 9.642 -6.971 1.700 1.00 0.00 C ATOM 909 O GLU A 60 10.058 -8.093 1.486 1.00 0.00 O ATOM 910 CB GLU A 60 11.161 -5.020 1.305 1.00 0.00 C ATOM 911 CG GLU A 60 12.035 -5.856 0.368 1.00 0.00 C ATOM 912 CD GLU A 60 12.691 -4.940 -0.668 1.00 0.00 C ATOM 913 OE1 GLU A 60 12.048 -3.982 -1.073 1.00 0.00 O ATOM 914 OE2 GLU A 60 13.820 -5.209 -1.040 1.00 0.00 O ATOM 0 H GLU A 60 11.968 -7.424 2.778 1.00 0.00 H new ATOM 0 HA GLU A 60 9.893 -5.299 3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.388 -4.508 0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.764 -4.250 1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.799 -6.383 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.431 -6.614 -0.131 1.00 0.00 H new ATOM 921 N ILE A 61 8.426 -6.613 1.373 1.00 0.00 N ATOM 922 CA ILE A 61 7.490 -7.582 0.719 1.00 0.00 C ATOM 923 C ILE A 61 7.229 -7.149 -0.720 1.00 0.00 C ATOM 924 O ILE A 61 6.955 -5.995 -0.995 1.00 0.00 O ATOM 925 CB ILE A 61 6.173 -7.612 1.490 1.00 0.00 C ATOM 926 CG1 ILE A 61 6.440 -8.106 2.914 1.00 0.00 C ATOM 927 CG2 ILE A 61 5.196 -8.561 0.792 1.00 0.00 C ATOM 928 CD1 ILE A 61 5.190 -7.908 3.773 1.00 0.00 C ATOM 0 H ILE A 61 8.037 -5.684 1.532 1.00 0.00 H new ATOM 0 HA ILE A 61 7.936 -8.576 0.721 1.00 0.00 H new ATOM 0 HB ILE A 61 5.741 -6.612 1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.718 -9.160 2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.280 -7.562 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.255 -8.583 1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.014 -8.213 -0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.622 -9.564 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.385 -8.261 4.786 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.932 -6.849 3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.361 -8.472 3.345 1.00 0.00 H new ATOM 940 N ILE A 62 7.321 -8.073 -1.643 1.00 0.00 N ATOM 941 CA ILE A 62 7.088 -7.741 -3.079 1.00 0.00 C ATOM 942 C ILE A 62 5.708 -8.235 -3.485 1.00 0.00 C ATOM 943 O ILE A 62 5.412 -9.411 -3.401 1.00 0.00 O ATOM 944 CB ILE A 62 8.144 -8.451 -3.935 1.00 0.00 C ATOM 945 CG1 ILE A 62 9.546 -8.113 -3.411 1.00 0.00 C ATOM 946 CG2 ILE A 62 8.014 -8.004 -5.393 1.00 0.00 C ATOM 947 CD1 ILE A 62 9.717 -6.595 -3.295 1.00 0.00 C ATOM 0 H ILE A 62 7.549 -9.050 -1.460 1.00 0.00 H new ATOM 0 HA ILE A 62 7.155 -6.663 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 62 7.989 -9.528 -3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.700 -8.579 -2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.301 -8.521 -4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.766 -8.511 -5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.020 -8.256 -5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.163 -6.926 -5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.716 -6.369 -2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.584 -6.138 -4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.973 -6.197 -2.605 1.00 0.00 H new ATOM 959 N THR A 63 4.859 -7.340 -3.928 1.00 0.00 N ATOM 960 CA THR A 63 3.481 -7.750 -4.349 1.00 0.00 C ATOM 961 C THR A 63 3.201 -7.220 -5.752 1.00 0.00 C ATOM 962 O THR A 63 3.317 -6.041 -6.019 1.00 0.00 O ATOM 963 CB THR A 63 2.453 -7.180 -3.368 1.00 0.00 C ATOM 964 OG1 THR A 63 1.145 -7.467 -3.844 1.00 0.00 O ATOM 965 CG2 THR A 63 2.624 -5.667 -3.248 1.00 0.00 C ATOM 0 H THR A 63 5.060 -6.344 -4.017 1.00 0.00 H new ATOM 0 HA THR A 63 3.410 -8.838 -4.351 1.00 0.00 H new ATOM 0 HB THR A 63 2.603 -7.635 -2.389 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.483 -7.106 -3.219 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.888 -5.272 -2.548 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.627 -5.442 -2.885 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.479 -5.206 -4.225 1.00 0.00 H new ATOM 973 N ARG A 64 2.828 -8.092 -6.650 1.00 0.00 N ATOM 974 CA ARG A 64 2.531 -7.662 -8.046 1.00 0.00 C ATOM 975 C ARG A 64 1.018 -7.511 -8.204 1.00 0.00 C ATOM 976 O ARG A 64 0.422 -8.034 -9.124 1.00 0.00 O ATOM 977 CB ARG A 64 3.059 -8.723 -9.025 1.00 0.00 C ATOM 978 CG ARG A 64 3.257 -8.105 -10.424 1.00 0.00 C ATOM 979 CD ARG A 64 4.656 -7.481 -10.529 1.00 0.00 C ATOM 980 NE ARG A 64 5.679 -8.564 -10.491 1.00 0.00 N ATOM 981 CZ ARG A 64 6.931 -8.284 -10.242 1.00 0.00 C ATOM 982 NH1 ARG A 64 7.299 -7.053 -10.011 1.00 0.00 N ATOM 983 NH2 ARG A 64 7.817 -9.241 -10.219 1.00 0.00 N ATOM 0 H ARG A 64 2.716 -9.090 -6.474 1.00 0.00 H new ATOM 0 HA ARG A 64 3.015 -6.709 -8.259 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.004 -9.126 -8.661 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.358 -9.556 -9.083 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.133 -8.871 -11.190 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.496 -7.346 -10.606 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.745 -6.912 -11.455 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.818 -6.782 -9.708 1.00 0.00 H new ATOM 0 HE ARG A 64 5.400 -9.530 -10.660 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.608 -6.303 -10.024 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.278 -6.841 -9.817 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.532 -10.204 -10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.795 -9.026 -10.025 1.00 0.00 H new ATOM 997 N GLU A 65 0.395 -6.795 -7.305 1.00 0.00 N ATOM 998 CA GLU A 65 -1.081 -6.589 -7.381 1.00 0.00 C ATOM 999 C GLU A 65 -1.397 -5.137 -7.030 1.00 0.00 C ATOM 1000 O GLU A 65 -1.759 -4.825 -5.913 1.00 0.00 O ATOM 1001 CB GLU A 65 -1.778 -7.530 -6.391 1.00 0.00 C ATOM 1002 CG GLU A 65 -1.637 -8.972 -6.883 1.00 0.00 C ATOM 1003 CD GLU A 65 -2.254 -9.931 -5.866 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -2.794 -9.454 -4.881 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -2.181 -11.129 -6.090 1.00 0.00 O ATOM 0 H GLU A 65 0.851 -6.340 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.437 -6.806 -8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.336 -7.426 -5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.832 -7.266 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.130 -9.086 -7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.585 -9.213 -7.032 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.258 -4.246 -7.984 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.547 -2.799 -7.732 1.00 0.00 C ATOM 1014 C VAL A 66 -2.513 -2.280 -8.796 1.00 0.00 C ATOM 1015 O VAL A 66 -2.356 -2.553 -9.970 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.246 -1.990 -7.783 1.00 0.00 C ATOM 1017 CG1 VAL A 66 -0.572 -0.491 -7.756 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.619 -2.343 -6.571 1.00 0.00 C ATOM 0 H VAL A 66 -0.954 -4.462 -8.933 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.997 -2.690 -6.745 1.00 0.00 H new ATOM 0 HB VAL A 66 0.293 -2.228 -8.700 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.354 0.083 -7.792 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.190 -0.238 -8.617 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.111 -0.252 -6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.545 -1.769 -6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.078 -2.104 -5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.852 -3.408 -6.588 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.506 -1.522 -8.394 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.488 -0.965 -9.380 1.00 0.00 C ATOM 1030 C LYS A 67 -4.622 0.540 -9.173 1.00 0.00 C ATOM 1031 O LYS A 67 -4.726 1.023 -8.063 1.00 0.00 O ATOM 1032 CB LYS A 67 -5.844 -1.636 -9.177 1.00 0.00 C ATOM 1033 CG LYS A 67 -5.735 -3.112 -9.561 1.00 0.00 C ATOM 1034 CD LYS A 67 -7.120 -3.764 -9.493 1.00 0.00 C ATOM 1035 CE LYS A 67 -7.677 -3.678 -8.068 1.00 0.00 C ATOM 1036 NZ LYS A 67 -6.573 -3.846 -7.081 1.00 0.00 N ATOM 0 H LYS A 67 -3.679 -1.264 -7.422 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.137 -1.157 -10.394 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.159 -1.540 -8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.602 -1.144 -9.787 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.326 -3.207 -10.567 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.047 -3.624 -8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.798 -3.267 -10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.054 -4.807 -9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.168 -2.717 -7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.433 -4.449 -7.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.968 -4.141 -6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.910 -4.571 -7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.069 -2.943 -6.967 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.606 1.285 -10.246 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.713 2.768 -10.148 1.00 0.00 C ATOM 1052 C GLY A 68 -6.172 3.214 -10.253 1.00 0.00 C ATOM 1053 O GLY A 68 -6.953 2.662 -11.003 1.00 0.00 O ATOM 0 H GLY A 68 -4.522 0.924 -11.196 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.292 3.106 -9.201 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.128 3.233 -10.941 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.538 4.233 -9.512 1.00 0.00 N ATOM 1058 CA LYS A 69 -7.937 4.755 -9.568 1.00 0.00 C ATOM 1059 C LYS A 69 -7.969 5.947 -10.528 1.00 0.00 C ATOM 1060 O LYS A 69 -7.568 7.059 -10.186 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.377 5.191 -8.160 1.00 0.00 C ATOM 1062 CG LYS A 69 -9.000 4.004 -7.419 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.330 4.415 -5.985 1.00 0.00 C ATOM 1064 CE LYS A 69 -10.081 3.277 -5.294 1.00 0.00 C ATOM 1065 NZ LYS A 69 -11.448 3.158 -5.877 1.00 0.00 N ATOM 0 H LYS A 69 -5.922 4.727 -8.867 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.619 3.982 -9.921 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.520 5.570 -7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.097 6.006 -8.230 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.904 3.676 -7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.310 3.160 -7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.414 4.645 -5.441 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.937 5.320 -5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.538 2.340 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.146 3.468 -4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.069 2.660 -5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.830 4.107 -6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.400 2.624 -6.768 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.436 5.701 -11.733 1.00 0.00 N ATOM 1080 CA PHE A 70 -8.503 6.766 -12.772 1.00 0.00 C ATOM 1081 C PHE A 70 -9.859 7.462 -12.737 1.00 0.00 C ATOM 1082 O PHE A 70 -10.859 6.890 -12.350 1.00 0.00 O ATOM 1083 CB PHE A 70 -8.317 6.137 -14.155 1.00 0.00 C ATOM 1084 CG PHE A 70 -6.908 5.617 -14.291 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -6.521 4.465 -13.600 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -5.989 6.285 -15.111 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -5.214 3.980 -13.725 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -4.681 5.800 -15.235 1.00 0.00 C ATOM 1089 CZ PHE A 70 -4.294 4.647 -14.542 1.00 0.00 C ATOM 0 H PHE A 70 -8.777 4.790 -12.038 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.717 7.494 -12.573 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.030 5.324 -14.295 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.519 6.875 -14.931 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.230 3.949 -12.970 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.289 7.173 -15.647 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.915 3.090 -13.191 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.971 6.315 -15.865 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.286 4.272 -14.638 1.00 0.00 H new ATOM 1099 N ILE A 71 -9.891 8.697 -13.156 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.165 9.470 -13.178 1.00 0.00 C ATOM 1101 C ILE A 71 -11.263 10.228 -14.503 1.00 0.00 C ATOM 1102 O ILE A 71 -10.269 10.634 -15.072 1.00 0.00 O ATOM 1103 CB ILE A 71 -11.195 10.460 -12.009 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -11.188 9.676 -10.692 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -12.464 11.313 -12.090 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -11.082 10.638 -9.503 1.00 0.00 C ATOM 0 H ILE A 71 -9.075 9.211 -13.489 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.010 8.788 -13.081 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.322 11.111 -12.056 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.099 9.083 -10.609 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.351 8.978 -10.680 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.483 12.016 -11.258 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.473 11.864 -13.031 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.340 10.667 -12.039 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.078 10.069 -8.574 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.159 11.212 -9.581 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.934 11.318 -9.508 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.455 10.422 -14.996 1.00 0.00 N ATOM 1119 CA ASN A 72 -12.631 11.153 -16.284 1.00 0.00 C ATOM 1120 C ASN A 72 -11.937 12.520 -16.210 1.00 0.00 C ATOM 1121 O ASN A 72 -11.948 13.277 -17.160 1.00 0.00 O ATOM 1122 CB ASN A 72 -14.126 11.353 -16.553 1.00 0.00 C ATOM 1123 CG ASN A 72 -14.816 11.900 -15.297 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -15.140 11.154 -14.395 1.00 0.00 O ATOM 1125 ND2 ASN A 72 -15.064 13.179 -15.204 1.00 0.00 N ATOM 0 H ASN A 72 -13.320 10.104 -14.560 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.186 10.571 -17.091 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -14.265 12.044 -17.385 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -14.581 10.407 -16.845 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.529 13.549 -14.375 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.793 13.807 -15.960 1.00 0.00 H new ATOM 1132 N GLY A 73 -11.333 12.835 -15.091 1.00 0.00 N ATOM 1133 CA GLY A 73 -10.628 14.145 -14.935 1.00 0.00 C ATOM 1134 C GLY A 73 -9.205 13.893 -14.441 1.00 0.00 C ATOM 1135 O GLY A 73 -8.822 14.323 -13.375 1.00 0.00 O ATOM 0 H GLY A 73 -11.298 12.232 -14.269 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.607 14.676 -15.887 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.164 14.779 -14.228 1.00 0.00 H new ATOM 1139 N ARG A 74 -8.423 13.201 -15.225 1.00 0.00 N ATOM 1140 CA ARG A 74 -7.008 12.910 -14.848 1.00 0.00 C ATOM 1141 C ARG A 74 -6.950 12.109 -13.529 1.00 0.00 C ATOM 1142 O ARG A 74 -7.623 12.446 -12.573 1.00 0.00 O ATOM 1143 CB ARG A 74 -6.240 14.230 -14.680 1.00 0.00 C ATOM 1144 CG ARG A 74 -4.747 13.941 -14.510 1.00 0.00 C ATOM 1145 CD ARG A 74 -3.997 15.243 -14.228 1.00 0.00 C ATOM 1146 NE ARG A 74 -4.537 15.874 -12.989 1.00 0.00 N ATOM 1147 CZ ARG A 74 -4.101 15.502 -11.815 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -3.206 14.558 -11.710 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -4.569 16.077 -10.741 1.00 0.00 N ATOM 0 H ARG A 74 -8.709 12.818 -16.126 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.552 12.315 -15.639 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.400 14.868 -15.549 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.616 14.773 -13.813 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.594 13.238 -13.691 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.353 13.471 -15.411 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.932 15.043 -14.112 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.103 15.925 -15.071 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.250 16.600 -13.059 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.842 14.105 -12.548 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.871 14.273 -10.790 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.271 16.812 -10.821 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.233 15.791 -9.822 1.00 0.00 H new ATOM 1163 N PRO A 75 -6.138 11.066 -13.459 1.00 0.00 N ATOM 1164 CA PRO A 75 -6.007 10.251 -12.220 1.00 0.00 C ATOM 1165 C PRO A 75 -5.940 11.121 -10.963 1.00 0.00 C ATOM 1166 O PRO A 75 -5.319 12.165 -10.949 1.00 0.00 O ATOM 1167 CB PRO A 75 -4.684 9.495 -12.417 1.00 0.00 C ATOM 1168 CG PRO A 75 -4.504 9.380 -13.901 1.00 0.00 C ATOM 1169 CD PRO A 75 -5.288 10.533 -14.544 1.00 0.00 C ATOM 0 HA PRO A 75 -6.865 9.595 -12.074 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.853 10.034 -11.962 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.721 8.511 -11.949 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.448 9.438 -14.166 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.871 8.418 -14.260 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.617 11.299 -14.933 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.890 10.182 -15.382 1.00 0.00 H new ATOM 1177 N THR A 76 -6.592 10.690 -9.915 1.00 0.00 N ATOM 1178 CA THR A 76 -6.599 11.467 -8.646 1.00 0.00 C ATOM 1179 C THR A 76 -6.238 10.545 -7.485 1.00 0.00 C ATOM 1180 O THR A 76 -5.893 11.003 -6.414 1.00 0.00 O ATOM 1181 CB THR A 76 -7.999 12.039 -8.425 1.00 0.00 C ATOM 1182 OG1 THR A 76 -8.427 12.697 -9.608 1.00 0.00 O ATOM 1183 CG2 THR A 76 -7.980 13.030 -7.261 1.00 0.00 C ATOM 0 H THR A 76 -7.126 9.821 -9.887 1.00 0.00 H new ATOM 0 HA THR A 76 -5.872 12.277 -8.703 1.00 0.00 H new ATOM 0 HB THR A 76 -8.688 11.229 -8.187 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.249 13.198 -9.425 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.981 13.433 -7.110 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.653 12.520 -6.355 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.292 13.844 -7.487 1.00 0.00 H new ATOM 1191 N ALA A 77 -6.315 9.244 -7.666 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.971 8.340 -6.525 1.00 0.00 C ATOM 1193 C ALA A 77 -5.431 7.010 -7.035 1.00 0.00 C ATOM 1194 O ALA A 77 -5.552 6.678 -8.198 1.00 0.00 O ATOM 1195 CB ALA A 77 -7.223 8.081 -5.686 1.00 0.00 C ATOM 0 H ALA A 77 -6.594 8.782 -8.531 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.205 8.824 -5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.974 7.422 -4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.604 9.026 -5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.985 7.610 -6.306 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.846 6.239 -6.154 1.00 0.00 N ATOM 1202 CA ILE A 78 -4.296 4.903 -6.545 1.00 0.00 C ATOM 1203 C ILE A 78 -4.707 3.873 -5.497 1.00 0.00 C ATOM 1204 O ILE A 78 -4.953 4.205 -4.355 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.769 4.969 -6.633 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -2.373 5.817 -7.845 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -2.190 3.554 -6.779 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.879 6.149 -7.779 1.00 0.00 C ATOM 0 H ILE A 78 -4.724 6.480 -5.170 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.691 4.618 -7.520 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.372 5.420 -5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.595 5.278 -8.766 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.959 6.736 -7.865 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.103 3.610 -6.841 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.474 2.954 -5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.582 3.092 -7.685 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.602 6.752 -8.643 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.670 6.706 -6.866 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.301 5.225 -7.781 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.790 2.623 -5.880 1.00 0.00 N ATOM 1221 CA GLU A 79 -5.197 1.559 -4.910 1.00 0.00 C ATOM 1222 C GLU A 79 -4.262 0.357 -5.014 1.00 0.00 C ATOM 1223 O GLU A 79 -3.698 0.076 -6.054 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.623 1.117 -5.230 1.00 0.00 C ATOM 1225 CG GLU A 79 -7.080 0.078 -4.204 1.00 0.00 C ATOM 1226 CD GLU A 79 -8.534 -0.307 -4.475 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -9.035 0.050 -5.528 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -9.123 -0.952 -3.623 1.00 0.00 O ATOM 0 H GLU A 79 -4.593 2.293 -6.825 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.143 1.959 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.293 1.977 -5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.667 0.695 -6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.444 -0.805 -4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.982 0.480 -3.196 1.00 0.00 H new ATOM 1235 N ALA A 80 -4.107 -0.362 -3.933 1.00 0.00 N ATOM 1236 CA ALA A 80 -3.224 -1.563 -3.937 1.00 0.00 C ATOM 1237 C ALA A 80 -3.866 -2.662 -3.095 1.00 0.00 C ATOM 1238 O ALA A 80 -4.505 -2.391 -2.103 1.00 0.00 O ATOM 1239 CB ALA A 80 -1.864 -1.192 -3.344 1.00 0.00 C ATOM 0 H ALA A 80 -4.559 -0.165 -3.040 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.090 -1.919 -4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.215 -2.068 -3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.409 -0.403 -3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.997 -0.840 -2.321 1.00 0.00 H new ATOM 1245 N THR A 81 -3.700 -3.902 -3.490 1.00 0.00 N ATOM 1246 CA THR A 81 -4.297 -5.038 -2.719 1.00 0.00 C ATOM 1247 C THR A 81 -3.204 -6.038 -2.351 1.00 0.00 C ATOM 1248 O THR A 81 -2.461 -6.496 -3.197 1.00 0.00 O ATOM 1249 CB THR A 81 -5.351 -5.734 -3.581 1.00 0.00 C ATOM 1250 OG1 THR A 81 -6.397 -4.818 -3.873 1.00 0.00 O ATOM 1251 CG2 THR A 81 -5.914 -6.938 -2.824 1.00 0.00 C ATOM 0 H THR A 81 -3.173 -4.177 -4.319 1.00 0.00 H new ATOM 0 HA THR A 81 -4.759 -4.656 -1.809 1.00 0.00 H new ATOM 0 HB THR A 81 -4.898 -6.075 -4.512 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.074 -5.260 -4.427 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.665 -7.435 -3.438 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.108 -7.637 -2.601 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.370 -6.602 -1.893 1.00 0.00 H new ATOM 1259 N VAL A 82 -3.109 -6.387 -1.091 1.00 0.00 N ATOM 1260 CA VAL A 82 -2.074 -7.368 -0.643 1.00 0.00 C ATOM 1261 C VAL A 82 -2.750 -8.525 0.091 1.00 0.00 C ATOM 1262 O VAL A 82 -3.538 -8.330 0.995 1.00 0.00 O ATOM 1263 CB VAL A 82 -1.090 -6.672 0.295 1.00 0.00 C ATOM 1264 CG1 VAL A 82 -0.053 -7.687 0.779 1.00 0.00 C ATOM 1265 CG2 VAL A 82 -0.384 -5.545 -0.461 1.00 0.00 C ATOM 0 H VAL A 82 -3.710 -6.030 -0.348 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.539 -7.755 -1.510 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.625 -6.259 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.652 -7.195 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.555 -8.495 1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.484 -8.095 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.320 -5.045 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.155 -5.960 -1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.123 -4.826 -0.814 1.00 0.00 H new ATOM 1275 N ILE A 83 -2.444 -9.730 -0.302 1.00 0.00 N ATOM 1276 CA ILE A 83 -3.057 -10.919 0.353 1.00 0.00 C ATOM 1277 C ILE A 83 -2.222 -11.321 1.571 1.00 0.00 C ATOM 1278 O ILE A 83 -1.027 -11.518 1.480 1.00 0.00 O ATOM 1279 CB ILE A 83 -3.099 -12.079 -0.651 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -4.192 -11.809 -1.694 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -3.403 -13.398 0.073 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -3.912 -10.490 -2.424 1.00 0.00 C ATOM 0 H ILE A 83 -1.790 -9.944 -1.055 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.070 -10.679 0.678 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.129 -12.159 -1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.231 -12.629 -2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.166 -11.764 -1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.430 -14.213 -0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.626 -13.595 0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.369 -13.325 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.694 -10.309 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.896 -9.672 -1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.947 -10.550 -2.926 1.00 0.00 H new ATOM 1294 N LEU A 84 -2.856 -11.457 2.708 1.00 0.00 N ATOM 1295 CA LEU A 84 -2.132 -11.862 3.949 1.00 0.00 C ATOM 1296 C LEU A 84 -2.531 -13.296 4.306 1.00 0.00 C ATOM 1297 O LEU A 84 -2.670 -13.651 5.459 1.00 0.00 O ATOM 1298 CB LEU A 84 -2.513 -10.901 5.077 1.00 0.00 C ATOM 1299 CG LEU A 84 -2.181 -9.464 4.649 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -2.624 -8.489 5.744 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -0.667 -9.322 4.409 1.00 0.00 C ATOM 0 H LEU A 84 -3.857 -11.302 2.830 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.053 -11.821 3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.576 -10.990 5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.971 -11.157 5.987 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.709 -9.235 3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.388 -7.469 5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.699 -8.582 5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.101 -8.721 6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.441 -8.300 4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.129 -9.555 5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.357 -10.010 3.623 1.00 0.00 H new ATOM 1313 N ASN A 85 -2.718 -14.117 3.308 1.00 0.00 N ATOM 1314 CA ASN A 85 -3.103 -15.536 3.552 1.00 0.00 C ATOM 1315 C ASN A 85 -1.976 -16.242 4.310 1.00 0.00 C ATOM 1316 O ASN A 85 -2.211 -17.057 5.180 1.00 0.00 O ATOM 1317 CB ASN A 85 -3.323 -16.239 2.209 1.00 0.00 C ATOM 1318 CG ASN A 85 -4.663 -15.809 1.609 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -5.512 -15.286 2.302 1.00 0.00 O ATOM 1320 ND2 ASN A 85 -4.890 -16.013 0.340 1.00 0.00 N ATOM 0 H ASN A 85 -2.619 -13.862 2.325 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.020 -15.570 4.140 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.512 -15.994 1.523 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.307 -17.320 2.348 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.781 -15.733 -0.070 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.176 -16.452 -0.242 1.00 0.00 H new ATOM 1327 N SER A 86 -0.754 -15.950 3.965 1.00 0.00 N ATOM 1328 CA SER A 86 0.394 -16.615 4.640 1.00 0.00 C ATOM 1329 C SER A 86 0.489 -16.159 6.100 1.00 0.00 C ATOM 1330 O SER A 86 0.066 -15.080 6.460 1.00 0.00 O ATOM 1331 CB SER A 86 1.687 -16.256 3.908 1.00 0.00 C ATOM 1332 OG SER A 86 1.764 -17.000 2.698 1.00 0.00 O ATOM 0 H SER A 86 -0.500 -15.277 3.242 1.00 0.00 H new ATOM 0 HA SER A 86 0.243 -17.694 4.618 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.713 -15.188 3.694 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.548 -16.475 4.539 1.00 0.00 H new ATOM 0 HG SER A 86 2.591 -16.771 2.225 1.00 0.00 H new ATOM 1338 N GLN A 87 1.048 -16.989 6.935 1.00 0.00 N ATOM 1339 CA GLN A 87 1.195 -16.645 8.378 1.00 0.00 C ATOM 1340 C GLN A 87 2.262 -15.550 8.573 1.00 0.00 C ATOM 1341 O GLN A 87 1.977 -14.511 9.134 1.00 0.00 O ATOM 1342 CB GLN A 87 1.594 -17.918 9.155 1.00 0.00 C ATOM 1343 CG GLN A 87 0.346 -18.624 9.703 1.00 0.00 C ATOM 1344 CD GLN A 87 -0.679 -18.800 8.580 1.00 0.00 C ATOM 1345 OE1 GLN A 87 -0.345 -19.237 7.497 1.00 0.00 O ATOM 1346 NE2 GLN A 87 -1.923 -18.475 8.797 1.00 0.00 N ATOM 0 H GLN A 87 1.415 -17.905 6.676 1.00 0.00 H new ATOM 0 HA GLN A 87 0.247 -16.261 8.754 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.144 -18.594 8.500 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.262 -17.656 9.976 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.617 -19.595 10.117 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.087 -18.041 10.516 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.203 -18.108 9.707 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.616 -18.588 8.057 1.00 0.00 H new ATOM 1355 N PRO A 88 3.484 -15.765 8.132 1.00 0.00 N ATOM 1356 CA PRO A 88 4.569 -14.748 8.298 1.00 0.00 C ATOM 1357 C PRO A 88 4.164 -13.391 7.716 1.00 0.00 C ATOM 1358 O PRO A 88 4.542 -12.350 8.216 1.00 0.00 O ATOM 1359 CB PRO A 88 5.776 -15.350 7.537 1.00 0.00 C ATOM 1360 CG PRO A 88 5.212 -16.454 6.695 1.00 0.00 C ATOM 1361 CD PRO A 88 3.981 -16.968 7.437 1.00 0.00 C ATOM 0 HA PRO A 88 4.793 -14.554 9.347 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.265 -14.597 6.919 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.526 -15.730 8.230 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.945 -16.090 5.703 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.943 -17.250 6.556 1.00 0.00 H new ATOM 0 HD2 PRO A 88 3.237 -17.374 6.751 1.00 0.00 H new ATOM 0 HD3 PRO A 88 4.235 -17.763 8.138 1.00 0.00 H new ATOM 1369 N GLU A 89 3.395 -13.400 6.668 1.00 0.00 N ATOM 1370 CA GLU A 89 2.956 -12.120 6.052 1.00 0.00 C ATOM 1371 C GLU A 89 2.030 -11.373 7.016 1.00 0.00 C ATOM 1372 O GLU A 89 2.091 -10.167 7.143 1.00 0.00 O ATOM 1373 CB GLU A 89 2.201 -12.422 4.753 1.00 0.00 C ATOM 1374 CG GLU A 89 3.159 -12.991 3.699 1.00 0.00 C ATOM 1375 CD GLU A 89 4.208 -11.940 3.334 1.00 0.00 C ATOM 1376 OE1 GLU A 89 3.946 -10.771 3.559 1.00 0.00 O ATOM 1377 OE2 GLU A 89 5.255 -12.323 2.839 1.00 0.00 O ATOM 0 H GLU A 89 3.049 -14.242 6.208 1.00 0.00 H new ATOM 0 HA GLU A 89 3.827 -11.501 5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.399 -13.134 4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.734 -11.512 4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.647 -13.887 4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.602 -13.287 2.810 1.00 0.00 H new ATOM 1384 N TRP A 90 1.167 -12.080 7.688 1.00 0.00 N ATOM 1385 CA TRP A 90 0.227 -11.413 8.637 1.00 0.00 C ATOM 1386 C TRP A 90 1.017 -10.775 9.788 1.00 0.00 C ATOM 1387 O TRP A 90 0.756 -9.657 10.189 1.00 0.00 O ATOM 1388 CB TRP A 90 -0.764 -12.472 9.183 1.00 0.00 C ATOM 1389 CG TRP A 90 -2.145 -12.204 8.672 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -2.939 -13.113 8.066 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -2.896 -10.960 8.711 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -4.134 -12.503 7.729 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -4.154 -11.175 8.107 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -2.606 -9.676 9.209 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -5.095 -10.152 7.999 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -3.550 -8.644 9.103 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -4.792 -8.881 8.498 1.00 0.00 C ATOM 0 H TRP A 90 1.070 -13.093 7.623 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.328 -10.628 8.124 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.444 -13.469 8.880 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -0.762 -12.454 10.273 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -2.683 -14.145 7.876 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -4.906 -12.976 7.259 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -1.651 -9.484 9.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -6.051 -10.340 7.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -3.319 -7.662 9.489 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.515 -8.083 8.417 1.00 0.00 H new ATOM 1408 N ASP A 91 1.962 -11.481 10.334 1.00 0.00 N ATOM 1409 CA ASP A 91 2.752 -10.923 11.467 1.00 0.00 C ATOM 1410 C ASP A 91 3.507 -9.683 10.993 1.00 0.00 C ATOM 1411 O ASP A 91 3.520 -8.657 11.643 1.00 0.00 O ATOM 1412 CB ASP A 91 3.753 -11.977 11.943 1.00 0.00 C ATOM 1413 CG ASP A 91 4.614 -11.396 13.066 1.00 0.00 C ATOM 1414 OD1 ASP A 91 4.259 -10.346 13.576 1.00 0.00 O ATOM 1415 OD2 ASP A 91 5.615 -12.011 13.393 1.00 0.00 O ATOM 0 H ASP A 91 2.224 -12.424 10.045 1.00 0.00 H new ATOM 0 HA ASP A 91 2.085 -10.652 12.286 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.224 -12.862 12.297 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.385 -12.294 11.113 1.00 0.00 H new ATOM 1420 N ARG A 92 4.139 -9.778 9.862 1.00 0.00 N ATOM 1421 CA ARG A 92 4.904 -8.622 9.321 1.00 0.00 C ATOM 1422 C ARG A 92 3.934 -7.492 8.976 1.00 0.00 C ATOM 1423 O ARG A 92 4.220 -6.327 9.171 1.00 0.00 O ATOM 1424 CB ARG A 92 5.638 -9.074 8.056 1.00 0.00 C ATOM 1425 CG ARG A 92 6.785 -10.036 8.421 1.00 0.00 C ATOM 1426 CD ARG A 92 8.059 -9.246 8.741 1.00 0.00 C ATOM 1427 NE ARG A 92 8.584 -8.649 7.483 1.00 0.00 N ATOM 1428 CZ ARG A 92 9.653 -7.902 7.506 1.00 0.00 C ATOM 1429 NH1 ARG A 92 10.259 -7.657 8.635 1.00 0.00 N ATOM 1430 NH2 ARG A 92 10.113 -7.395 6.395 1.00 0.00 N ATOM 0 H ARG A 92 4.160 -10.616 9.281 1.00 0.00 H new ATOM 0 HA ARG A 92 5.622 -8.265 10.060 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.941 -9.568 7.379 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.035 -8.207 7.528 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.500 -10.643 9.280 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.972 -10.721 7.594 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.845 -8.464 9.469 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.807 -9.901 9.188 1.00 0.00 H new ATOM 0 HE ARG A 92 8.106 -8.825 6.599 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.897 -8.050 9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.095 -7.072 8.649 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.637 -7.583 5.513 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.949 -6.810 6.409 1.00 0.00 H new ATOM 1444 N PHE A 93 2.792 -7.834 8.455 1.00 0.00 N ATOM 1445 CA PHE A 93 1.792 -6.797 8.086 1.00 0.00 C ATOM 1446 C PHE A 93 1.357 -6.036 9.342 1.00 0.00 C ATOM 1447 O PHE A 93 1.241 -4.827 9.340 1.00 0.00 O ATOM 1448 CB PHE A 93 0.579 -7.474 7.453 1.00 0.00 C ATOM 1449 CG PHE A 93 -0.338 -6.420 6.888 1.00 0.00 C ATOM 1450 CD1 PHE A 93 -0.116 -5.925 5.598 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -1.405 -5.937 7.650 1.00 0.00 C ATOM 1452 CE1 PHE A 93 -0.962 -4.947 5.070 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -2.254 -4.956 7.123 1.00 0.00 C ATOM 1454 CZ PHE A 93 -2.032 -4.460 5.833 1.00 0.00 C ATOM 0 H PHE A 93 2.506 -8.795 8.267 1.00 0.00 H new ATOM 0 HA PHE A 93 2.233 -6.097 7.376 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.898 -8.156 6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.052 -8.071 8.197 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.709 -6.299 5.011 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.575 -6.320 8.645 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.792 -4.566 4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -3.079 -4.582 7.711 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.685 -3.702 5.426 1.00 0.00 H new ATOM 1464 N MET A 94 1.108 -6.741 10.412 1.00 0.00 N ATOM 1465 CA MET A 94 0.673 -6.073 11.671 1.00 0.00 C ATOM 1466 C MET A 94 1.772 -5.117 12.140 1.00 0.00 C ATOM 1467 O MET A 94 1.504 -4.043 12.639 1.00 0.00 O ATOM 1468 CB MET A 94 0.423 -7.133 12.746 1.00 0.00 C ATOM 1469 CG MET A 94 -0.083 -6.456 14.023 1.00 0.00 C ATOM 1470 SD MET A 94 -0.516 -7.721 15.244 1.00 0.00 S ATOM 1471 CE MET A 94 -2.268 -7.866 14.811 1.00 0.00 C ATOM 0 H MET A 94 1.188 -7.756 10.468 1.00 0.00 H new ATOM 0 HA MET A 94 -0.245 -5.513 11.493 1.00 0.00 H new ATOM 0 HB2 MET A 94 -0.309 -7.859 12.392 1.00 0.00 H new ATOM 0 HB3 MET A 94 1.342 -7.681 12.952 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.684 -5.794 14.425 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.952 -5.838 13.800 1.00 0.00 H new ATOM 0 HE1 MET A 94 -2.741 -8.608 15.454 1.00 0.00 H new ATOM 0 HE2 MET A 94 -2.758 -6.902 14.948 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.361 -8.175 13.770 1.00 0.00 H new ATOM 1481 N ARG A 95 3.006 -5.506 11.987 1.00 0.00 N ATOM 1482 CA ARG A 95 4.130 -4.629 12.420 1.00 0.00 C ATOM 1483 C ARG A 95 4.106 -3.335 11.599 1.00 0.00 C ATOM 1484 O ARG A 95 4.357 -2.260 12.104 1.00 0.00 O ATOM 1485 CB ARG A 95 5.457 -5.359 12.194 1.00 0.00 C ATOM 1486 CG ARG A 95 5.598 -6.502 13.202 1.00 0.00 C ATOM 1487 CD ARG A 95 6.898 -7.270 12.935 1.00 0.00 C ATOM 1488 NE ARG A 95 8.060 -6.364 13.169 1.00 0.00 N ATOM 1489 CZ ARG A 95 9.278 -6.768 12.917 1.00 0.00 C ATOM 1490 NH1 ARG A 95 9.493 -7.970 12.457 1.00 0.00 N ATOM 1491 NH2 ARG A 95 10.283 -5.964 13.129 1.00 0.00 N ATOM 0 H ARG A 95 3.286 -6.398 11.579 1.00 0.00 H new ATOM 0 HA ARG A 95 4.025 -4.389 13.478 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.499 -5.751 11.178 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.289 -4.663 12.301 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.601 -6.106 14.217 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.744 -7.175 13.125 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.962 -8.139 13.589 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.911 -7.641 11.910 1.00 0.00 H new ATOM 0 HE ARG A 95 7.903 -5.422 13.528 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.709 -8.601 12.292 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.445 -8.279 12.263 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.117 -5.025 13.490 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.235 -6.275 12.934 1.00 0.00 H new ATOM 1505 N PHE A 96 3.799 -3.433 10.332 1.00 0.00 N ATOM 1506 CA PHE A 96 3.742 -2.216 9.470 1.00 0.00 C ATOM 1507 C PHE A 96 2.672 -1.263 10.007 1.00 0.00 C ATOM 1508 O PHE A 96 2.877 -0.070 10.105 1.00 0.00 O ATOM 1509 CB PHE A 96 3.385 -2.631 8.039 1.00 0.00 C ATOM 1510 CG PHE A 96 3.136 -1.402 7.191 1.00 0.00 C ATOM 1511 CD1 PHE A 96 4.201 -0.757 6.553 1.00 0.00 C ATOM 1512 CD2 PHE A 96 1.834 -0.905 7.053 1.00 0.00 C ATOM 1513 CE1 PHE A 96 3.965 0.384 5.774 1.00 0.00 C ATOM 1514 CE2 PHE A 96 1.597 0.233 6.275 1.00 0.00 C ATOM 1515 CZ PHE A 96 2.662 0.878 5.637 1.00 0.00 C ATOM 0 H PHE A 96 3.584 -4.309 9.855 1.00 0.00 H new ATOM 0 HA PHE A 96 4.710 -1.714 9.476 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.195 -3.221 7.610 1.00 0.00 H new ATOM 0 HB3 PHE A 96 2.498 -3.264 8.046 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.206 -1.139 6.661 1.00 0.00 H new ATOM 0 HD2 PHE A 96 1.012 -1.401 7.548 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.787 0.881 5.280 1.00 0.00 H new ATOM 0 HE2 PHE A 96 0.592 0.614 6.167 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.479 1.758 5.038 1.00 0.00 H new ATOM 1525 N MET A 97 1.526 -1.786 10.340 1.00 0.00 N ATOM 1526 CA MET A 97 0.429 -0.923 10.858 1.00 0.00 C ATOM 1527 C MET A 97 0.857 -0.290 12.183 1.00 0.00 C ATOM 1528 O MET A 97 0.599 0.869 12.441 1.00 0.00 O ATOM 1529 CB MET A 97 -0.814 -1.786 11.090 1.00 0.00 C ATOM 1530 CG MET A 97 -1.459 -2.130 9.748 1.00 0.00 C ATOM 1531 SD MET A 97 -2.887 -3.209 10.027 1.00 0.00 S ATOM 1532 CE MET A 97 -3.914 -2.015 10.921 1.00 0.00 C ATOM 0 H MET A 97 1.301 -2.779 10.275 1.00 0.00 H new ATOM 0 HA MET A 97 0.208 -0.137 10.136 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.541 -2.700 11.618 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.526 -1.254 11.721 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.772 -1.219 9.238 1.00 0.00 H new ATOM 0 HG3 MET A 97 -0.736 -2.626 9.101 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.956 -2.332 10.884 1.00 0.00 H new ATOM 0 HE2 MET A 97 -3.588 -1.960 11.960 1.00 0.00 H new ATOM 0 HE3 MET A 97 -3.817 -1.033 10.458 1.00 0.00 H new ATOM 1542 N GLU A 98 1.501 -1.045 13.025 1.00 0.00 N ATOM 1543 CA GLU A 98 1.941 -0.493 14.337 1.00 0.00 C ATOM 1544 C GLU A 98 3.091 0.492 14.120 1.00 0.00 C ATOM 1545 O GLU A 98 3.112 1.572 14.672 1.00 0.00 O ATOM 1546 CB GLU A 98 2.429 -1.639 15.226 1.00 0.00 C ATOM 1547 CG GLU A 98 2.778 -1.095 16.613 1.00 0.00 C ATOM 1548 CD GLU A 98 3.205 -2.248 17.526 1.00 0.00 C ATOM 1549 OE1 GLU A 98 3.431 -3.331 17.014 1.00 0.00 O ATOM 1550 OE2 GLU A 98 3.300 -2.025 18.722 1.00 0.00 O ATOM 0 H GLU A 98 1.743 -2.022 12.863 1.00 0.00 H new ATOM 0 HA GLU A 98 1.105 0.020 14.813 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.657 -2.404 15.307 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.303 -2.113 14.779 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.582 -0.363 16.536 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.917 -0.580 17.040 1.00 0.00 H new ATOM 1557 N ARG A 99 4.054 0.114 13.328 1.00 0.00 N ATOM 1558 CA ARG A 99 5.218 1.007 13.077 1.00 0.00 C ATOM 1559 C ARG A 99 4.775 2.240 12.286 1.00 0.00 C ATOM 1560 O ARG A 99 5.197 3.347 12.552 1.00 0.00 O ATOM 1561 CB ARG A 99 6.275 0.246 12.274 1.00 0.00 C ATOM 1562 CG ARG A 99 7.608 1.021 12.286 1.00 0.00 C ATOM 1563 CD ARG A 99 8.435 0.613 13.511 1.00 0.00 C ATOM 1564 NE ARG A 99 9.676 1.437 13.569 1.00 0.00 N ATOM 1565 CZ ARG A 99 10.746 1.068 12.917 1.00 0.00 C ATOM 1566 NH1 ARG A 99 10.738 -0.023 12.201 1.00 0.00 N ATOM 1567 NH2 ARG A 99 11.824 1.795 12.987 1.00 0.00 N ATOM 0 H ARG A 99 4.085 -0.781 12.840 1.00 0.00 H new ATOM 0 HA ARG A 99 5.635 1.326 14.032 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.419 -0.748 12.698 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.934 0.109 11.248 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.167 0.815 11.373 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.415 2.094 12.307 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.851 0.752 14.420 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.690 -0.445 13.455 1.00 0.00 H new ATOM 0 HE ARG A 99 9.690 2.294 14.121 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.893 -0.592 12.148 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.576 -0.306 11.694 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.829 2.647 13.548 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.663 1.513 12.480 1.00 0.00 H new ATOM 1581 N TYR A 100 3.935 2.055 11.305 1.00 0.00 N ATOM 1582 CA TYR A 100 3.471 3.214 10.491 1.00 0.00 C ATOM 1583 C TYR A 100 2.762 4.214 11.402 1.00 0.00 C ATOM 1584 O TYR A 100 3.003 5.403 11.349 1.00 0.00 O ATOM 1585 CB TYR A 100 2.496 2.719 9.421 1.00 0.00 C ATOM 1586 CG TYR A 100 1.921 3.900 8.677 1.00 0.00 C ATOM 1587 CD1 TYR A 100 2.563 4.391 7.535 1.00 0.00 C ATOM 1588 CD2 TYR A 100 0.746 4.505 9.137 1.00 0.00 C ATOM 1589 CE1 TYR A 100 2.028 5.492 6.852 1.00 0.00 C ATOM 1590 CE2 TYR A 100 0.211 5.603 8.455 1.00 0.00 C ATOM 1591 CZ TYR A 100 0.853 6.097 7.311 1.00 0.00 C ATOM 1592 OH TYR A 100 0.326 7.181 6.639 1.00 0.00 O ATOM 0 H TYR A 100 3.550 1.151 11.032 1.00 0.00 H new ATOM 0 HA TYR A 100 4.324 3.696 10.013 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.009 2.053 8.727 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.695 2.142 9.883 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.469 3.923 7.180 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.252 4.124 10.019 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.523 5.873 5.971 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.696 6.070 8.810 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.492 7.479 7.089 1.00 0.00 H new ATOM 1602 N GLY A 101 1.884 3.736 12.235 1.00 0.00 N ATOM 1603 CA GLY A 101 1.153 4.647 13.156 1.00 0.00 C ATOM 1604 C GLY A 101 2.128 5.188 14.206 1.00 0.00 C ATOM 1605 O GLY A 101 1.956 6.269 14.732 1.00 0.00 O ATOM 0 H GLY A 101 1.640 2.749 12.318 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.709 5.470 12.596 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.336 4.114 13.642 1.00 0.00 H new ATOM 1609 N ALA A 102 3.142 4.429 14.522 1.00 0.00 N ATOM 1610 CA ALA A 102 4.131 4.873 15.546 1.00 0.00 C ATOM 1611 C ALA A 102 4.830 6.154 15.084 1.00 0.00 C ATOM 1612 O ALA A 102 4.920 7.122 15.813 1.00 0.00 O ATOM 1613 CB ALA A 102 5.176 3.773 15.731 1.00 0.00 C ATOM 0 H ALA A 102 3.329 3.514 14.112 1.00 0.00 H new ATOM 0 HA ALA A 102 3.614 5.069 16.486 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.905 4.086 16.478 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.686 2.858 16.063 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.683 3.590 14.784 1.00 0.00 H new ATOM 1619 N GLU A 103 5.334 6.160 13.882 1.00 0.00 N ATOM 1620 CA GLU A 103 6.036 7.372 13.373 1.00 0.00 C ATOM 1621 C GLU A 103 5.019 8.483 13.106 1.00 0.00 C ATOM 1622 O GLU A 103 5.200 9.607 13.526 1.00 0.00 O ATOM 1623 CB GLU A 103 6.781 7.028 12.073 1.00 0.00 C ATOM 1624 CG GLU A 103 5.828 6.352 11.078 1.00 0.00 C ATOM 1625 CD GLU A 103 6.615 5.836 9.873 1.00 0.00 C ATOM 1626 OE1 GLU A 103 7.141 6.657 9.139 1.00 0.00 O ATOM 1627 OE2 GLU A 103 6.669 4.630 9.699 1.00 0.00 O ATOM 0 H GLU A 103 5.290 5.378 13.229 1.00 0.00 H new ATOM 0 HA GLU A 103 6.753 7.714 14.120 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.195 7.935 11.632 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.620 6.367 12.290 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.307 5.527 11.563 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.068 7.061 10.750 1.00 0.00 H new ATOM 1634 N ASN A 104 3.953 8.174 12.412 1.00 0.00 N ATOM 1635 CA ASN A 104 2.921 9.207 12.104 1.00 0.00 C ATOM 1636 C ASN A 104 1.828 8.599 11.217 1.00 0.00 C ATOM 1637 O ASN A 104 1.743 7.398 11.044 1.00 0.00 O ATOM 1638 CB ASN A 104 3.569 10.393 11.370 1.00 0.00 C ATOM 1639 CG ASN A 104 4.528 9.878 10.292 1.00 0.00 C ATOM 1640 OD1 ASN A 104 5.592 9.377 10.598 1.00 0.00 O ATOM 1641 ND2 ASN A 104 4.195 9.984 9.034 1.00 0.00 N ATOM 0 H ASN A 104 3.753 7.244 12.044 1.00 0.00 H new ATOM 0 HA ASN A 104 2.481 9.556 13.038 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.798 11.016 10.916 1.00 0.00 H new ATOM 0 HB3 ASN A 104 4.109 11.020 12.080 1.00 0.00 H new ATOM 0 HD21 ASN A 104 4.828 9.646 8.309 1.00 0.00 H new ATOM 0 HD22 ASN A 104 3.302 10.404 8.776 1.00 0.00 H new