USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=22 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 1 ARG N :NH3+ 179:sc= -1.05 (180deg=-1.13) USER MOD Set 1.2: A 91 LYS NZ :NH3+ -152:sc= -1.36 (180deg=-3.31!) USER MOD Set 2.1: A 82 SER OG : rot 180:sc= -0.213 USER MOD Set 2.2: A 86 THR OG1 : rot 97:sc= -0.899 USER MOD Single : A 3 SER OG : rot -117:sc= 0.889 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -4.19! C(o=-4.2!,f=-5.8!) USER MOD Single : A 20 ASN : amide:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 170:sc= -1.51 (180deg=-1.57) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00856 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0495 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 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0847) USER MOD Single : A 52 SER OG : rot 180:sc= -1.85 USER MOD Single : A 60 ASN :FLIP amide:sc= -3.11! C(o=-4.5!,f=-3.1!) USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= -0.0305 (180deg=-0.251) USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00254) USER MOD Single : A 67 ASN : amide:sc= -3.13! C(o=-3.1!,f=-2.9!) USER MOD Single : A 69 THR OG1 : rot 100:sc= 1.04 USER MOD Single : A 73 SER OG : rot 7:sc= 0.205 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 31:sc= -0.247 USER MOD Single : A 77 ASN : amide:sc= -0.472 K(o=-0.47,f=-1.3) USER MOD Single : A 79 THR OG1 : rot 154:sc=0.000553 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0263 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 90 ASN : amide:sc= -2.84 K(o=-2.8,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 0.499 14.186 -4.449 1.00 0.00 N ATOM 2 CA ARG A 1 1.595 14.565 -5.379 1.00 0.00 C ATOM 3 C ARG A 1 2.877 14.887 -4.618 1.00 0.00 C ATOM 4 O ARG A 1 3.469 15.952 -4.798 1.00 0.00 O ATOM 5 CB ARG A 1 1.142 15.778 -6.196 1.00 0.00 C ATOM 6 CG ARG A 1 0.480 15.411 -7.514 1.00 0.00 C ATOM 7 CD ARG A 1 0.788 16.433 -8.599 1.00 0.00 C ATOM 8 NE ARG A 1 -0.379 17.245 -8.935 1.00 0.00 N ATOM 9 CZ ARG A 1 -0.786 18.291 -8.220 1.00 0.00 C ATOM 10 NH1 ARG A 1 -0.124 18.657 -7.129 1.00 0.00 N ATOM 11 NH2 ARG A 1 -1.858 18.974 -8.597 1.00 0.00 N ATOM 0 H1 ARG A 1 -0.365 13.989 -4.993 1.00 0.00 H new ATOM 0 H2 ARG A 1 0.774 13.336 -3.916 1.00 0.00 H new ATOM 0 H3 ARG A 1 0.320 14.967 -3.786 1.00 0.00 H new ATOM 0 HA ARG A 1 1.811 13.726 -6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 1 0.445 16.367 -5.600 1.00 0.00 H new ATOM 0 HB3 ARG A 1 2.005 16.413 -6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 1 0.823 14.427 -7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -0.599 15.343 -7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 1 1.597 17.082 -8.266 1.00 0.00 H new ATOM 0 HD3 ARG A 1 1.140 15.918 -9.493 1.00 0.00 H new ATOM 0 HE ARG A 1 -0.914 16.995 -9.767 1.00 0.00 H new ATOM 0 HH11 ARG A 1 0.702 18.136 -6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -0.441 19.460 -6.585 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -2.370 18.698 -9.435 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -2.170 19.776 -8.049 1.00 0.00 H new ATOM 27 N ASP A 2 3.302 13.960 -3.765 1.00 0.00 N ATOM 28 CA ASP A 2 4.514 14.146 -2.977 1.00 0.00 C ATOM 29 C ASP A 2 5.336 12.861 -2.924 1.00 0.00 C ATOM 30 O ASP A 2 6.063 12.618 -1.961 1.00 0.00 O ATOM 31 CB ASP A 2 4.161 14.601 -1.559 1.00 0.00 C ATOM 32 CG ASP A 2 5.016 15.765 -1.095 1.00 0.00 C ATOM 33 OD1 ASP A 2 6.257 15.619 -1.074 1.00 0.00 O ATOM 34 OD2 ASP A 2 4.445 16.822 -0.754 1.00 0.00 O ATOM 0 H ASP A 2 2.825 13.073 -3.602 1.00 0.00 H new ATOM 0 HA ASP A 2 5.115 14.917 -3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.110 14.889 -1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.286 13.765 -0.871 1.00 0.00 H new ATOM 39 N SER A 3 5.218 12.043 -3.965 1.00 0.00 N ATOM 40 CA SER A 3 5.954 10.785 -4.035 1.00 0.00 C ATOM 41 C SER A 3 7.457 11.038 -4.013 1.00 0.00 C ATOM 42 O SER A 3 7.915 12.132 -4.341 1.00 0.00 O ATOM 43 CB SER A 3 5.567 10.013 -5.299 1.00 0.00 C ATOM 44 OG SER A 3 5.123 8.705 -4.981 1.00 0.00 O ATOM 0 H SER A 3 4.621 12.228 -4.771 1.00 0.00 H new ATOM 0 HA SER A 3 5.692 10.186 -3.163 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.780 10.549 -5.830 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.423 9.957 -5.971 1.00 0.00 H new ATOM 0 HG SER A 3 5.727 8.047 -5.385 1.00 0.00 H new ATOM 50 N GLY A 4 8.221 10.022 -3.623 1.00 0.00 N ATOM 51 CA GLY A 4 9.662 10.165 -3.567 1.00 0.00 C ATOM 52 C GLY A 4 10.387 8.834 -3.542 1.00 0.00 C ATOM 53 O GLY A 4 9.900 7.840 -4.082 1.00 0.00 O ATOM 0 H GLY A 4 7.868 9.106 -3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.999 10.740 -4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.931 10.736 -2.678 1.00 0.00 H new ATOM 57 N THR A 5 11.557 8.821 -2.916 1.00 0.00 N ATOM 58 CA THR A 5 12.369 7.612 -2.818 1.00 0.00 C ATOM 59 C THR A 5 12.585 7.219 -1.368 1.00 0.00 C ATOM 60 O THR A 5 12.607 8.065 -0.474 1.00 0.00 O ATOM 61 CB THR A 5 13.717 7.830 -3.507 1.00 0.00 C ATOM 62 OG1 THR A 5 13.540 8.442 -4.773 1.00 0.00 O ATOM 63 CG2 THR A 5 14.490 6.551 -3.721 1.00 0.00 C ATOM 0 H THR A 5 11.968 9.639 -2.466 1.00 0.00 H new ATOM 0 HA THR A 5 11.837 6.802 -3.316 1.00 0.00 H new ATOM 0 HB THR A 5 14.286 8.472 -2.834 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.413 8.575 -5.197 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.436 6.776 -4.214 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.686 6.079 -2.758 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.907 5.874 -4.346 1.00 0.00 H new ATOM 71 N VAL A 6 12.731 5.922 -1.148 1.00 0.00 N ATOM 72 CA VAL A 6 12.932 5.392 0.187 1.00 0.00 C ATOM 73 C VAL A 6 14.149 4.470 0.235 1.00 0.00 C ATOM 74 O VAL A 6 14.449 3.771 -0.736 1.00 0.00 O ATOM 75 CB VAL A 6 11.691 4.608 0.646 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.798 3.188 0.188 1.00 0.00 C ATOM 77 CG2 VAL A 6 11.504 4.688 2.156 1.00 0.00 C ATOM 0 H VAL A 6 12.714 5.215 -1.883 1.00 0.00 H new ATOM 0 HA VAL A 6 13.100 6.237 0.854 1.00 0.00 H new ATOM 0 HB VAL A 6 10.808 5.060 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.918 2.633 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.862 3.160 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.692 2.734 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.618 4.122 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.379 4.269 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.382 5.730 2.453 1.00 0.00 H new ATOM 87 N TRP A 7 14.832 4.458 1.371 1.00 0.00 N ATOM 88 CA TRP A 7 16.000 3.609 1.549 1.00 0.00 C ATOM 89 C TRP A 7 15.785 2.638 2.704 1.00 0.00 C ATOM 90 O TRP A 7 15.383 3.038 3.797 1.00 0.00 O ATOM 91 CB TRP A 7 17.244 4.464 1.792 1.00 0.00 C ATOM 92 CG TRP A 7 17.554 5.379 0.646 1.00 0.00 C ATOM 93 CD1 TRP A 7 17.024 6.616 0.419 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.458 5.124 -0.434 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.543 7.146 -0.737 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.427 6.250 -1.279 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.293 4.055 -0.770 1.00 0.00 C ATOM 98 CZ2 TRP A 7 19.198 6.336 -2.435 1.00 0.00 C ATOM 99 CZ3 TRP A 7 20.057 4.140 -1.918 1.00 0.00 C ATOM 100 CH2 TRP A 7 20.005 5.274 -2.739 1.00 0.00 C ATOM 0 H TRP A 7 14.597 5.028 2.184 1.00 0.00 H new ATOM 0 HA TRP A 7 16.149 3.029 0.638 1.00 0.00 H new ATOM 0 HB2 TRP A 7 17.101 5.057 2.696 1.00 0.00 H new ATOM 0 HB3 TRP A 7 18.098 3.811 1.971 1.00 0.00 H new ATOM 0 HD1 TRP A 7 16.302 7.106 1.055 1.00 0.00 H new ATOM 0 HE1 TRP A 7 17.309 8.058 -1.128 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.340 3.177 -0.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 19.160 7.210 -3.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.705 3.319 -2.187 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.614 5.311 -3.630 1.00 0.00 H new ATOM 111 N GLY A 8 16.053 1.362 2.455 1.00 0.00 N ATOM 112 CA GLY A 8 15.877 0.352 3.493 1.00 0.00 C ATOM 113 C GLY A 8 16.938 -0.728 3.437 1.00 0.00 C ATOM 114 O GLY A 8 17.843 -0.669 2.607 1.00 0.00 O ATOM 0 H GLY A 8 16.387 1.005 1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.903 0.832 4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.893 -0.104 3.388 1.00 0.00 H new ATOM 118 N ALA A 9 16.834 -1.715 4.323 1.00 0.00 N ATOM 119 CA ALA A 9 17.806 -2.802 4.358 1.00 0.00 C ATOM 120 C ALA A 9 17.123 -4.163 4.369 1.00 0.00 C ATOM 121 O ALA A 9 16.179 -4.393 5.122 1.00 0.00 O ATOM 122 CB ALA A 9 18.718 -2.664 5.566 1.00 0.00 C ATOM 0 H ALA A 9 16.093 -1.784 5.020 1.00 0.00 H new ATOM 0 HA ALA A 9 18.406 -2.735 3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.436 -3.484 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.251 -1.715 5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.121 -2.694 6.478 1.00 0.00 H new ATOM 128 N LEU A 10 17.621 -5.064 3.533 1.00 0.00 N ATOM 129 CA LEU A 10 17.073 -6.415 3.440 1.00 0.00 C ATOM 130 C LEU A 10 17.037 -7.079 4.809 1.00 0.00 C ATOM 131 O LEU A 10 18.022 -7.055 5.549 1.00 0.00 O ATOM 132 CB LEU A 10 17.918 -7.251 2.476 1.00 0.00 C ATOM 133 CG LEU A 10 17.278 -8.553 1.984 1.00 0.00 C ATOM 134 CD1 LEU A 10 16.945 -8.456 0.506 1.00 0.00 C ATOM 135 CD2 LEU A 10 18.203 -9.731 2.246 1.00 0.00 C ATOM 0 H LEU A 10 18.406 -4.885 2.907 1.00 0.00 H new ATOM 0 HA LEU A 10 16.052 -6.350 3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.160 -6.637 1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.860 -7.494 2.967 1.00 0.00 H new ATOM 0 HG LEU A 10 16.351 -8.713 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 10 16.491 -9.390 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.247 -7.635 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.858 -8.274 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.734 -10.648 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.145 -9.578 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.394 -9.812 3.316 1.00 0.00 H new ATOM 147 N GLY A 11 15.896 -7.666 5.143 1.00 0.00 N ATOM 148 CA GLY A 11 15.754 -8.321 6.426 1.00 0.00 C ATOM 149 C GLY A 11 15.213 -7.393 7.497 1.00 0.00 C ATOM 150 O GLY A 11 14.851 -7.839 8.586 1.00 0.00 O ATOM 0 H GLY A 11 15.068 -7.700 4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.087 -9.177 6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.723 -8.708 6.741 1.00 0.00 H new ATOM 154 N HIS A 12 15.155 -6.096 7.194 1.00 0.00 N ATOM 155 CA HIS A 12 14.656 -5.118 8.140 1.00 0.00 C ATOM 156 C HIS A 12 13.272 -4.633 7.703 1.00 0.00 C ATOM 157 O HIS A 12 12.828 -4.928 6.591 1.00 0.00 O ATOM 158 CB HIS A 12 15.667 -3.965 8.249 1.00 0.00 C ATOM 159 CG HIS A 12 15.070 -2.609 8.430 1.00 0.00 C ATOM 160 ND1 HIS A 12 14.762 -1.797 7.369 1.00 0.00 N ATOM 161 CD2 HIS A 12 14.752 -1.913 9.546 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.282 -0.650 7.818 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.264 -0.696 9.138 1.00 0.00 N ATOM 0 H HIS A 12 15.449 -5.706 6.299 1.00 0.00 H new ATOM 0 HA HIS A 12 14.545 -5.565 9.128 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.333 -4.166 9.088 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.282 -3.956 7.349 1.00 0.00 H new ATOM 0 HD2 HIS A 12 14.861 -2.251 10.566 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.960 0.182 7.210 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.941 0.050 9.753 1.00 0.00 H new ATOM 172 N GLY A 13 12.590 -3.907 8.584 1.00 0.00 N ATOM 173 CA GLY A 13 11.260 -3.412 8.265 1.00 0.00 C ATOM 174 C GLY A 13 11.288 -2.266 7.274 1.00 0.00 C ATOM 175 O GLY A 13 12.323 -1.986 6.678 1.00 0.00 O ATOM 0 H GLY A 13 12.932 -3.653 9.511 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.661 -4.226 7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.769 -3.084 9.181 1.00 0.00 H new ATOM 179 N ILE A 14 10.142 -1.607 7.102 1.00 0.00 N ATOM 180 CA ILE A 14 10.011 -0.475 6.181 1.00 0.00 C ATOM 181 C ILE A 14 8.537 -0.228 5.860 1.00 0.00 C ATOM 182 O ILE A 14 7.772 -1.172 5.650 1.00 0.00 O ATOM 183 CB ILE A 14 10.798 -0.699 4.869 1.00 0.00 C ATOM 184 CG1 ILE A 14 10.743 0.542 3.978 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.272 -1.915 4.127 1.00 0.00 C ATOM 186 CD1 ILE A 14 12.005 1.376 4.039 1.00 0.00 C ATOM 0 H ILE A 14 9.280 -1.841 7.595 1.00 0.00 H new ATOM 0 HA ILE A 14 10.434 0.398 6.678 1.00 0.00 H new ATOM 0 HB ILE A 14 11.841 -0.881 5.130 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.568 0.234 2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.894 1.157 4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.840 -2.054 3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.378 -2.799 4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.220 -1.766 3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.901 2.241 3.384 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.169 1.713 5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.854 0.775 3.714 1.00 0.00 H new ATOM 198 N ASP A 15 8.137 1.041 5.846 1.00 0.00 N ATOM 199 CA ASP A 15 6.748 1.395 5.571 1.00 0.00 C ATOM 200 C ASP A 15 6.625 2.302 4.349 1.00 0.00 C ATOM 201 O ASP A 15 7.228 3.373 4.293 1.00 0.00 O ATOM 202 CB ASP A 15 6.133 2.085 6.790 1.00 0.00 C ATOM 203 CG ASP A 15 4.675 1.719 6.992 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.362 0.510 7.002 1.00 0.00 O ATOM 205 OD2 ASP A 15 3.846 2.641 7.141 1.00 0.00 O ATOM 0 H ASP A 15 8.751 1.837 6.021 1.00 0.00 H new ATOM 0 HA ASP A 15 6.209 0.472 5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.699 1.813 7.681 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.220 3.165 6.674 1.00 0.00 H new ATOM 210 N LEU A 16 5.821 1.869 3.382 1.00 0.00 N ATOM 211 CA LEU A 16 5.589 2.643 2.164 1.00 0.00 C ATOM 212 C LEU A 16 4.527 3.709 2.432 1.00 0.00 C ATOM 213 O LEU A 16 3.344 3.396 2.560 1.00 0.00 O ATOM 214 CB LEU A 16 5.124 1.713 1.027 1.00 0.00 C ATOM 215 CG LEU A 16 6.062 1.533 -0.190 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.383 2.275 -0.038 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.324 0.055 -0.437 1.00 0.00 C ATOM 0 H LEU A 16 5.317 0.983 3.418 1.00 0.00 H new ATOM 0 HA LEU A 16 6.519 3.126 1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.939 0.728 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.168 2.086 0.660 1.00 0.00 H new ATOM 0 HG LEU A 16 5.549 1.969 -1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.997 2.110 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.190 3.342 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.909 1.905 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.985 -0.059 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.794 -0.383 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.381 -0.454 -0.636 1.00 0.00 H new ATOM 229 N ASP A 17 4.954 4.964 2.539 1.00 0.00 N ATOM 230 CA ASP A 17 4.027 6.058 2.820 1.00 0.00 C ATOM 231 C ASP A 17 3.475 6.691 1.546 1.00 0.00 C ATOM 232 O ASP A 17 4.223 7.171 0.695 1.00 0.00 O ATOM 233 CB ASP A 17 4.710 7.128 3.669 1.00 0.00 C ATOM 234 CG ASP A 17 5.115 6.612 5.035 1.00 0.00 C ATOM 235 OD1 ASP A 17 4.252 6.038 5.733 1.00 0.00 O ATOM 236 OD2 ASP A 17 6.295 6.781 5.408 1.00 0.00 O ATOM 0 H ASP A 17 5.928 5.248 2.436 1.00 0.00 H new ATOM 0 HA ASP A 17 3.188 5.631 3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.593 7.494 3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.037 7.977 3.789 1.00 0.00 H new ATOM 241 N ILE A 18 2.150 6.694 1.440 1.00 0.00 N ATOM 242 CA ILE A 18 1.457 7.272 0.296 1.00 0.00 C ATOM 243 C ILE A 18 1.354 8.792 0.423 1.00 0.00 C ATOM 244 O ILE A 18 0.775 9.299 1.385 1.00 0.00 O ATOM 245 CB ILE A 18 0.036 6.691 0.181 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.098 5.168 0.078 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.703 7.282 -1.014 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.115 4.566 -0.586 1.00 0.00 C ATOM 0 H ILE A 18 1.528 6.296 2.144 1.00 0.00 H new ATOM 0 HA ILE A 18 2.035 7.025 -0.595 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.518 6.959 1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.989 4.884 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.203 4.747 1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.704 6.854 -1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.777 8.363 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.157 7.052 -1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.007 3.482 -0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.007 4.820 -0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.209 4.960 -1.598 1.00 0.00 H new ATOM 260 N PRO A 19 1.915 9.546 -0.539 1.00 0.00 N ATOM 261 CA PRO A 19 1.876 11.014 -0.509 1.00 0.00 C ATOM 262 C PRO A 19 0.453 11.572 -0.497 1.00 0.00 C ATOM 263 O PRO A 19 -0.385 11.193 -1.315 1.00 0.00 O ATOM 264 CB PRO A 19 2.599 11.423 -1.797 1.00 0.00 C ATOM 265 CG PRO A 19 3.427 10.240 -2.165 1.00 0.00 C ATOM 266 CD PRO A 19 2.640 9.042 -1.721 1.00 0.00 C ATOM 0 HA PRO A 19 2.336 11.405 0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.890 11.670 -2.587 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.219 12.305 -1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.613 10.211 -3.239 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.399 10.274 -1.674 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.957 8.696 -2.497 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.288 8.203 -1.470 1.00 0.00 H new ATOM 274 N ASN A 20 0.202 12.492 0.431 1.00 0.00 N ATOM 275 CA ASN A 20 -1.102 13.146 0.568 1.00 0.00 C ATOM 276 C ASN A 20 -2.278 12.171 0.433 1.00 0.00 C ATOM 277 O ASN A 20 -3.075 12.276 -0.500 1.00 0.00 O ATOM 278 CB ASN A 20 -1.237 14.261 -0.470 1.00 0.00 C ATOM 279 CG ASN A 20 -0.667 15.578 0.020 1.00 0.00 C ATOM 280 OD1 ASN A 20 -1.367 16.589 0.076 1.00 0.00 O ATOM 281 ND2 ASN A 20 0.612 15.572 0.378 1.00 0.00 N ATOM 0 H ASN A 20 0.895 12.807 1.110 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.143 13.560 1.576 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.726 13.965 -1.386 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.289 14.394 -0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.051 16.429 0.716 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.155 14.711 0.315 1.00 0.00 H new ATOM 288 N PHE A 21 -2.394 11.235 1.373 1.00 0.00 N ATOM 289 CA PHE A 21 -3.478 10.267 1.358 1.00 0.00 C ATOM 290 C PHE A 21 -3.968 9.990 2.779 1.00 0.00 C ATOM 291 O PHE A 21 -3.195 10.053 3.736 1.00 0.00 O ATOM 292 CB PHE A 21 -3.007 8.980 0.689 1.00 0.00 C ATOM 293 CG PHE A 21 -3.791 7.761 1.067 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.112 7.626 0.686 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.205 6.757 1.812 1.00 0.00 C ATOM 296 CE1 PHE A 21 -5.838 6.505 1.043 1.00 0.00 C ATOM 297 CE2 PHE A 21 -3.921 5.632 2.172 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.240 5.505 1.788 1.00 0.00 C ATOM 0 H PHE A 21 -1.747 11.130 2.154 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.313 10.675 0.788 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.057 9.108 -0.392 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.960 8.816 0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.582 8.404 0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.173 6.853 2.117 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.870 6.410 0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.449 4.853 2.753 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.804 4.627 2.068 1.00 0.00 H new ATOM 308 N GLN A 22 -5.254 9.682 2.908 1.00 0.00 N ATOM 309 CA GLN A 22 -5.844 9.396 4.211 1.00 0.00 C ATOM 310 C GLN A 22 -6.862 8.264 4.112 1.00 0.00 C ATOM 311 O GLN A 22 -7.878 8.387 3.426 1.00 0.00 O ATOM 312 CB GLN A 22 -6.512 10.650 4.777 1.00 0.00 C ATOM 313 CG GLN A 22 -5.578 11.514 5.609 1.00 0.00 C ATOM 314 CD GLN A 22 -6.318 12.558 6.422 1.00 0.00 C ATOM 315 OE1 GLN A 22 -7.168 13.280 5.899 1.00 0.00 O ATOM 316 NE2 GLN A 22 -5.999 12.643 7.708 1.00 0.00 N ATOM 0 H GLN A 22 -5.907 9.624 2.127 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.045 9.083 4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.906 11.245 3.953 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.362 10.353 5.391 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.002 10.877 6.281 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.865 12.010 4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.289 12.024 8.099 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.464 13.327 8.305 1.00 0.00 H new ATOM 325 N MET A 23 -6.583 7.162 4.800 1.00 0.00 N ATOM 326 CA MET A 23 -7.474 6.009 4.789 1.00 0.00 C ATOM 327 C MET A 23 -8.692 6.254 5.674 1.00 0.00 C ATOM 328 O MET A 23 -8.747 5.791 6.814 1.00 0.00 O ATOM 329 CB MET A 23 -6.729 4.758 5.261 1.00 0.00 C ATOM 330 CG MET A 23 -7.525 3.474 5.085 1.00 0.00 C ATOM 331 SD MET A 23 -8.281 2.909 6.621 1.00 0.00 S ATOM 332 CE MET A 23 -10.018 3.129 6.243 1.00 0.00 C ATOM 0 H MET A 23 -5.747 7.044 5.372 1.00 0.00 H new ATOM 0 HA MET A 23 -7.816 5.855 3.766 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.792 4.673 4.710 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.471 4.874 6.314 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.303 3.633 4.339 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.868 2.694 4.699 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.622 2.661 7.020 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.248 4.193 6.196 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.243 2.667 5.282 1.00 0.00 H new ATOM 342 N THR A 24 -9.667 6.982 5.141 1.00 0.00 N ATOM 343 CA THR A 24 -10.886 7.289 5.881 1.00 0.00 C ATOM 344 C THR A 24 -12.079 6.541 5.297 1.00 0.00 C ATOM 345 O THR A 24 -11.930 5.734 4.380 1.00 0.00 O ATOM 346 CB THR A 24 -11.153 8.795 5.861 1.00 0.00 C ATOM 347 OG1 THR A 24 -10.605 9.386 4.695 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.577 9.521 7.057 1.00 0.00 C ATOM 0 H THR A 24 -9.637 7.371 4.199 1.00 0.00 H new ATOM 0 HA THR A 24 -10.747 6.965 6.913 1.00 0.00 H new ATOM 0 HB THR A 24 -12.238 8.896 5.883 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.787 10.349 4.700 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.802 10.585 6.980 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.017 9.122 7.971 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.496 9.380 7.083 1.00 0.00 H new ATOM 356 N ASP A 25 -13.264 6.812 5.835 1.00 0.00 N ATOM 357 CA ASP A 25 -14.484 6.163 5.367 1.00 0.00 C ATOM 358 C ASP A 25 -14.703 6.423 3.880 1.00 0.00 C ATOM 359 O ASP A 25 -15.235 5.576 3.164 1.00 0.00 O ATOM 360 CB ASP A 25 -15.689 6.660 6.166 1.00 0.00 C ATOM 361 CG ASP A 25 -15.456 6.601 7.663 1.00 0.00 C ATOM 362 OD1 ASP A 25 -14.442 7.164 8.128 1.00 0.00 O ATOM 363 OD2 ASP A 25 -16.286 5.993 8.371 1.00 0.00 O ATOM 0 H ASP A 25 -13.405 7.477 6.596 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.375 5.089 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.915 7.686 5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.562 6.058 5.913 1.00 0.00 H new ATOM 368 N ASP A 26 -14.288 7.600 3.423 1.00 0.00 N ATOM 369 CA ASP A 26 -14.438 7.972 2.020 1.00 0.00 C ATOM 370 C ASP A 26 -13.698 6.993 1.114 1.00 0.00 C ATOM 371 O ASP A 26 -14.064 6.809 -0.048 1.00 0.00 O ATOM 372 CB ASP A 26 -13.918 9.392 1.789 1.00 0.00 C ATOM 373 CG ASP A 26 -14.917 10.450 2.214 1.00 0.00 C ATOM 374 OD1 ASP A 26 -15.364 10.410 3.380 1.00 0.00 O ATOM 375 OD2 ASP A 26 -15.251 11.319 1.381 1.00 0.00 O ATOM 0 H ASP A 26 -13.845 8.313 4.003 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.499 7.936 1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.989 9.530 2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.682 9.522 0.733 1.00 0.00 H new ATOM 380 N ILE A 27 -12.655 6.366 1.650 1.00 0.00 N ATOM 381 CA ILE A 27 -11.865 5.410 0.896 1.00 0.00 C ATOM 382 C ILE A 27 -12.579 4.051 0.840 1.00 0.00 C ATOM 383 O ILE A 27 -12.990 3.526 1.875 1.00 0.00 O ATOM 384 CB ILE A 27 -10.469 5.250 1.536 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.712 6.583 1.497 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.666 4.163 0.838 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.736 7.261 0.141 1.00 0.00 C ATOM 0 H ILE A 27 -12.339 6.507 2.610 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.746 5.784 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.605 4.951 2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.143 7.257 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.676 6.410 1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.688 4.073 1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.195 3.213 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.539 4.423 -0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.180 8.197 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.278 6.607 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.768 7.467 -0.145 1.00 0.00 H new ATOM 399 N ASP A 28 -12.746 3.486 -0.363 1.00 0.00 N ATOM 400 CA ASP A 28 -13.428 2.210 -0.514 1.00 0.00 C ATOM 401 C ASP A 28 -12.472 1.105 -0.946 1.00 0.00 C ATOM 402 O ASP A 28 -12.531 -0.006 -0.422 1.00 0.00 O ATOM 403 CB ASP A 28 -14.560 2.339 -1.534 1.00 0.00 C ATOM 404 CG ASP A 28 -15.796 1.562 -1.126 1.00 0.00 C ATOM 405 OD1 ASP A 28 -16.338 1.839 -0.034 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.223 0.678 -1.897 1.00 0.00 O ATOM 0 H ASP A 28 -12.417 3.896 -1.237 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.837 1.938 0.459 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.819 3.391 -1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.214 1.983 -2.504 1.00 0.00 H new ATOM 411 N GLU A 29 -11.603 1.392 -1.917 1.00 0.00 N ATOM 412 CA GLU A 29 -10.674 0.370 -2.398 1.00 0.00 C ATOM 413 C GLU A 29 -9.227 0.869 -2.451 1.00 0.00 C ATOM 414 O GLU A 29 -8.900 1.776 -3.215 1.00 0.00 O ATOM 415 CB GLU A 29 -11.113 -0.115 -3.784 1.00 0.00 C ATOM 416 CG GLU A 29 -10.221 -1.197 -4.373 1.00 0.00 C ATOM 417 CD GLU A 29 -10.654 -1.613 -5.765 1.00 0.00 C ATOM 418 OE1 GLU A 29 -10.742 -0.733 -6.648 1.00 0.00 O ATOM 419 OE2 GLU A 29 -10.905 -2.819 -5.974 1.00 0.00 O ATOM 0 H GLU A 29 -11.523 2.300 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.701 -0.456 -1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.132 -0.495 -3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.133 0.735 -4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.193 -0.836 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.231 -2.068 -3.718 1.00 0.00 H new ATOM 426 N VAL A 30 -8.357 0.243 -1.652 1.00 0.00 N ATOM 427 CA VAL A 30 -6.937 0.595 -1.627 1.00 0.00 C ATOM 428 C VAL A 30 -6.109 -0.556 -2.193 1.00 0.00 C ATOM 429 O VAL A 30 -6.055 -1.635 -1.605 1.00 0.00 O ATOM 430 CB VAL A 30 -6.436 0.918 -0.200 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.119 1.676 -0.258 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.482 1.710 0.572 1.00 0.00 C ATOM 0 H VAL A 30 -8.613 -0.510 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.818 1.491 -2.237 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.268 -0.022 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.781 1.895 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.371 1.068 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.260 2.609 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.109 1.926 1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.688 2.645 0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.400 1.126 0.645 1.00 0.00 H new ATOM 442 N ARG A 31 -5.484 -0.335 -3.347 1.00 0.00 N ATOM 443 CA ARG A 31 -4.689 -1.381 -3.988 1.00 0.00 C ATOM 444 C ARG A 31 -3.197 -1.061 -3.975 1.00 0.00 C ATOM 445 O ARG A 31 -2.779 0.037 -4.340 1.00 0.00 O ATOM 446 CB ARG A 31 -5.152 -1.603 -5.434 1.00 0.00 C ATOM 447 CG ARG A 31 -6.604 -1.224 -5.684 1.00 0.00 C ATOM 448 CD ARG A 31 -6.951 -1.292 -7.163 1.00 0.00 C ATOM 449 NE ARG A 31 -6.475 -2.527 -7.780 1.00 0.00 N ATOM 450 CZ ARG A 31 -6.335 -2.692 -9.094 1.00 0.00 C ATOM 451 NH1 ARG A 31 -6.634 -1.705 -9.930 1.00 0.00 N ATOM 452 NH2 ARG A 31 -5.895 -3.848 -9.573 1.00 0.00 N ATOM 0 H ARG A 31 -5.511 0.550 -3.854 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.843 -2.292 -3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.516 -1.022 -6.102 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.011 -2.653 -5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.257 -1.894 -5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.787 -0.216 -5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.032 -1.218 -7.286 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.513 -0.437 -7.678 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.236 -3.308 -7.169 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.973 -0.814 -9.567 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.525 -1.838 -10.935 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.664 -4.610 -8.935 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.787 -3.975 -10.579 1.00 0.00 H new ATOM 466 N TRP A 32 -2.403 -2.051 -3.579 1.00 0.00 N ATOM 467 CA TRP A 32 -0.952 -1.923 -3.541 1.00 0.00 C ATOM 468 C TRP A 32 -0.346 -2.855 -4.581 1.00 0.00 C ATOM 469 O TRP A 32 -0.016 -4.003 -4.281 1.00 0.00 O ATOM 470 CB TRP A 32 -0.414 -2.275 -2.150 1.00 0.00 C ATOM 471 CG TRP A 32 -0.584 -1.184 -1.133 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.664 -0.967 -0.325 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.368 -0.164 -0.811 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.440 0.125 0.480 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.200 0.637 0.199 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.645 0.150 -1.279 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.468 1.729 0.747 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.306 1.235 -0.736 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.717 2.012 0.269 1.00 0.00 C ATOM 0 H TRP A 32 -2.747 -2.962 -3.276 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.678 -0.891 -3.761 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.920 -3.172 -1.793 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.645 -2.518 -2.233 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.563 -1.566 -0.319 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.091 0.494 1.173 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.108 -0.445 -2.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.016 2.331 1.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.293 1.488 -1.093 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.261 2.852 0.675 1.00 0.00 H new ATOM 490 N GLU A 33 -0.232 -2.371 -5.814 1.00 0.00 N ATOM 491 CA GLU A 33 0.299 -3.189 -6.899 1.00 0.00 C ATOM 492 C GLU A 33 1.743 -2.838 -7.234 1.00 0.00 C ATOM 493 O GLU A 33 2.164 -1.686 -7.123 1.00 0.00 O ATOM 494 CB GLU A 33 -0.571 -3.039 -8.148 1.00 0.00 C ATOM 495 CG GLU A 33 -2.022 -3.435 -7.929 1.00 0.00 C ATOM 496 CD GLU A 33 -2.944 -2.888 -9.002 1.00 0.00 C ATOM 497 OE1 GLU A 33 -3.314 -1.698 -8.915 1.00 0.00 O ATOM 498 OE2 GLU A 33 -3.294 -3.649 -9.928 1.00 0.00 O ATOM 0 H GLU A 33 -0.498 -1.424 -6.085 1.00 0.00 H new ATOM 0 HA GLU A 33 0.281 -4.224 -6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.533 -2.003 -8.485 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.153 -3.650 -8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.099 -4.522 -7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.350 -3.074 -6.954 1.00 0.00 H new ATOM 505 N ARG A 34 2.485 -3.852 -7.664 1.00 0.00 N ATOM 506 CA ARG A 34 3.880 -3.689 -8.046 1.00 0.00 C ATOM 507 C ARG A 34 4.166 -4.516 -9.293 1.00 0.00 C ATOM 508 O ARG A 34 4.030 -5.740 -9.280 1.00 0.00 O ATOM 509 CB ARG A 34 4.804 -4.120 -6.905 1.00 0.00 C ATOM 510 CG ARG A 34 6.099 -3.326 -6.839 1.00 0.00 C ATOM 511 CD ARG A 34 7.303 -4.235 -6.644 1.00 0.00 C ATOM 512 NE ARG A 34 7.802 -4.762 -7.912 1.00 0.00 N ATOM 513 CZ ARG A 34 9.023 -5.265 -8.078 1.00 0.00 C ATOM 514 NH1 ARG A 34 9.873 -5.311 -7.059 1.00 0.00 N ATOM 515 NH2 ARG A 34 9.395 -5.723 -9.265 1.00 0.00 N ATOM 0 H ARG A 34 2.137 -4.806 -7.757 1.00 0.00 H new ATOM 0 HA ARG A 34 4.067 -2.637 -8.259 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.273 -4.014 -5.959 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.041 -5.178 -7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.221 -2.751 -7.757 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.046 -2.610 -6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.098 -3.682 -6.144 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.030 -5.063 -5.990 1.00 0.00 H new ATOM 0 HE ARG A 34 7.177 -4.743 -8.718 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.591 -4.960 -6.144 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.808 -5.697 -7.192 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.746 -5.690 -10.051 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.331 -6.109 -9.393 1.00 0.00 H new ATOM 529 N GLY A 35 4.539 -3.845 -10.378 1.00 0.00 N ATOM 530 CA GLY A 35 4.810 -4.551 -11.615 1.00 0.00 C ATOM 531 C GLY A 35 3.613 -5.351 -12.078 1.00 0.00 C ATOM 532 O GLY A 35 2.558 -4.791 -12.378 1.00 0.00 O ATOM 0 H GLY A 35 4.658 -2.833 -10.423 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.090 -3.836 -12.388 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.661 -5.218 -11.474 1.00 0.00 H new ATOM 536 N SER A 36 3.774 -6.663 -12.126 1.00 0.00 N ATOM 537 CA SER A 36 2.698 -7.553 -12.543 1.00 0.00 C ATOM 538 C SER A 36 2.302 -8.491 -11.404 1.00 0.00 C ATOM 539 O SER A 36 2.109 -9.689 -11.613 1.00 0.00 O ATOM 540 CB SER A 36 3.126 -8.366 -13.766 1.00 0.00 C ATOM 541 OG SER A 36 2.011 -8.690 -14.579 1.00 0.00 O ATOM 0 H SER A 36 4.642 -7.139 -11.881 1.00 0.00 H new ATOM 0 HA SER A 36 1.834 -6.944 -12.807 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.852 -7.798 -14.348 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.622 -9.281 -13.443 1.00 0.00 H new ATOM 0 HG SER A 36 2.311 -9.208 -15.355 1.00 0.00 H new ATOM 547 N THR A 37 2.188 -7.940 -10.197 1.00 0.00 N ATOM 548 CA THR A 37 1.824 -8.736 -9.028 1.00 0.00 C ATOM 549 C THR A 37 1.112 -7.884 -7.978 1.00 0.00 C ATOM 550 O THR A 37 1.238 -6.659 -7.968 1.00 0.00 O ATOM 551 CB THR A 37 3.081 -9.363 -8.419 1.00 0.00 C ATOM 552 OG1 THR A 37 3.711 -10.225 -9.350 1.00 0.00 O ATOM 553 CG2 THR A 37 2.814 -10.166 -7.162 1.00 0.00 C ATOM 0 H THR A 37 2.342 -6.950 -10.004 1.00 0.00 H new ATOM 0 HA THR A 37 1.140 -9.521 -9.350 1.00 0.00 H new ATOM 0 HB THR A 37 3.720 -8.520 -8.158 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.513 -10.615 -8.944 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.751 -10.579 -6.788 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.375 -9.519 -6.403 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.124 -10.979 -7.389 1.00 0.00 H new ATOM 561 N LEU A 38 0.380 -8.544 -7.082 1.00 0.00 N ATOM 562 CA LEU A 38 -0.330 -7.848 -6.012 1.00 0.00 C ATOM 563 C LEU A 38 0.425 -8.010 -4.703 1.00 0.00 C ATOM 564 O LEU A 38 1.045 -9.044 -4.457 1.00 0.00 O ATOM 565 CB LEU A 38 -1.756 -8.386 -5.832 1.00 0.00 C ATOM 566 CG LEU A 38 -2.874 -7.528 -6.428 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.223 -8.165 -6.133 1.00 0.00 C ATOM 568 CD2 LEU A 38 -2.815 -6.114 -5.868 1.00 0.00 C ATOM 0 H LEU A 38 0.264 -9.557 -7.076 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.391 -6.796 -6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.808 -9.379 -6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.946 -8.507 -4.766 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.740 -7.471 -7.508 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.016 -7.551 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.259 -9.161 -6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.362 -8.240 -5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.617 -5.517 -6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.932 -6.146 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.853 -5.665 -6.115 1.00 0.00 H new ATOM 580 N VAL A 39 0.362 -6.992 -3.862 1.00 0.00 N ATOM 581 CA VAL A 39 1.032 -7.034 -2.577 1.00 0.00 C ATOM 582 C VAL A 39 0.013 -6.918 -1.449 1.00 0.00 C ATOM 583 O VAL A 39 0.085 -7.642 -0.454 1.00 0.00 O ATOM 584 CB VAL A 39 2.083 -5.910 -2.463 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.584 -5.781 -1.035 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.241 -6.170 -3.422 1.00 0.00 C ATOM 0 H VAL A 39 -0.146 -6.127 -4.047 1.00 0.00 H new ATOM 0 HA VAL A 39 1.548 -7.991 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 39 1.611 -4.967 -2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.324 -4.982 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.748 -5.547 -0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.040 -6.721 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.975 -5.370 -3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.710 -7.122 -3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.866 -6.204 -4.445 1.00 0.00 H new ATOM 596 N ALA A 40 -0.940 -6.011 -1.620 1.00 0.00 N ATOM 597 CA ALA A 40 -1.983 -5.806 -0.622 1.00 0.00 C ATOM 598 C ALA A 40 -3.129 -4.964 -1.174 1.00 0.00 C ATOM 599 O ALA A 40 -2.970 -3.771 -1.434 1.00 0.00 O ATOM 600 CB ALA A 40 -1.404 -5.155 0.623 1.00 0.00 C ATOM 0 H ALA A 40 -1.013 -5.406 -2.438 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.385 -6.784 -0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.195 -5.009 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.631 -5.798 1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.970 -4.190 0.361 1.00 0.00 H new ATOM 606 N GLU A 41 -4.286 -5.592 -1.345 1.00 0.00 N ATOM 607 CA GLU A 41 -5.463 -4.902 -1.862 1.00 0.00 C ATOM 608 C GLU A 41 -6.596 -4.920 -0.844 1.00 0.00 C ATOM 609 O GLU A 41 -7.132 -5.978 -0.511 1.00 0.00 O ATOM 610 CB GLU A 41 -5.924 -5.538 -3.175 1.00 0.00 C ATOM 611 CG GLU A 41 -5.895 -4.576 -4.348 1.00 0.00 C ATOM 612 CD GLU A 41 -6.174 -5.260 -5.672 1.00 0.00 C ATOM 613 OE1 GLU A 41 -6.868 -6.298 -5.668 1.00 0.00 O ATOM 614 OE2 GLU A 41 -5.697 -4.759 -6.712 1.00 0.00 O ATOM 0 H GLU A 41 -4.435 -6.579 -1.133 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.188 -3.864 -2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.288 -6.394 -3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.938 -5.919 -3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.633 -3.790 -4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.919 -4.092 -4.392 1.00 0.00 H new ATOM 621 N PHE A 42 -6.955 -3.740 -0.355 1.00 0.00 N ATOM 622 CA PHE A 42 -8.025 -3.609 0.623 1.00 0.00 C ATOM 623 C PHE A 42 -9.317 -3.149 -0.044 1.00 0.00 C ATOM 624 O PHE A 42 -9.296 -2.558 -1.124 1.00 0.00 O ATOM 625 CB PHE A 42 -7.618 -2.622 1.722 1.00 0.00 C ATOM 626 CG PHE A 42 -8.756 -2.210 2.614 1.00 0.00 C ATOM 627 CD1 PHE A 42 -9.574 -1.149 2.260 1.00 0.00 C ATOM 628 CD2 PHE A 42 -9.010 -2.883 3.798 1.00 0.00 C ATOM 629 CE1 PHE A 42 -10.623 -0.765 3.071 1.00 0.00 C ATOM 630 CE2 PHE A 42 -10.059 -2.503 4.614 1.00 0.00 C ATOM 631 CZ PHE A 42 -10.867 -1.443 4.250 1.00 0.00 C ATOM 0 H PHE A 42 -6.518 -2.857 -0.621 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.201 -4.587 1.071 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.835 -3.073 2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.190 -1.733 1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.389 -0.616 1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.382 -3.713 4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.252 0.065 2.784 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.247 -3.034 5.535 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.688 -1.145 4.886 1.00 0.00 H new ATOM 641 N LYS A 43 -10.438 -3.421 0.612 1.00 0.00 N ATOM 642 CA LYS A 43 -11.741 -3.033 0.090 1.00 0.00 C ATOM 643 C LYS A 43 -12.743 -2.845 1.223 1.00 0.00 C ATOM 644 O LYS A 43 -12.759 -3.610 2.188 1.00 0.00 O ATOM 645 CB LYS A 43 -12.256 -4.080 -0.898 1.00 0.00 C ATOM 646 CG LYS A 43 -11.448 -4.150 -2.183 1.00 0.00 C ATOM 647 CD LYS A 43 -11.956 -5.250 -3.100 1.00 0.00 C ATOM 648 CE LYS A 43 -13.338 -4.927 -3.646 1.00 0.00 C ATOM 649 NZ LYS A 43 -13.832 -5.985 -4.569 1.00 0.00 N ATOM 0 H LYS A 43 -10.470 -3.909 1.507 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.627 -2.083 -0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.245 -5.058 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.295 -3.857 -1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.500 -3.191 -2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.399 -4.328 -1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.259 -5.386 -3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.991 -6.193 -2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.038 -4.812 -2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.307 -3.973 -4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.777 -5.727 -4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.178 -6.078 -5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.887 -6.891 -4.061 1.00 0.00 H new ATOM 663 N ARG A 44 -13.577 -1.820 1.097 1.00 0.00 N ATOM 664 CA ARG A 44 -14.580 -1.514 2.087 1.00 0.00 C ATOM 665 C ARG A 44 -15.478 -2.713 2.334 1.00 0.00 C ATOM 666 O ARG A 44 -16.457 -2.946 1.626 1.00 0.00 O ATOM 667 CB ARG A 44 -15.405 -0.318 1.638 1.00 0.00 C ATOM 668 CG ARG A 44 -15.172 0.942 2.459 1.00 0.00 C ATOM 669 CD ARG A 44 -15.254 0.672 3.953 1.00 0.00 C ATOM 670 NE ARG A 44 -13.986 0.950 4.624 1.00 0.00 N ATOM 671 CZ ARG A 44 -13.788 0.795 5.931 1.00 0.00 C ATOM 672 NH1 ARG A 44 -14.772 0.363 6.712 1.00 0.00 N ATOM 673 NH2 ARG A 44 -12.604 1.070 6.459 1.00 0.00 N ATOM 0 H ARG A 44 -13.570 -1.182 0.301 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.079 -1.268 3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.178 -0.105 0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.462 -0.580 1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -14.192 1.355 2.219 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.911 1.695 2.186 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.040 1.287 4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.533 -0.368 4.120 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.206 1.283 4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.685 0.148 6.311 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.615 0.246 7.713 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.844 1.400 5.864 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.452 0.951 7.461 1.00 0.00 H new ATOM 687 N LYS A 45 -15.106 -3.462 3.345 1.00 0.00 N ATOM 688 CA LYS A 45 -15.828 -4.669 3.757 1.00 0.00 C ATOM 689 C LYS A 45 -15.440 -5.865 2.896 1.00 0.00 C ATOM 690 O LYS A 45 -15.165 -6.948 3.411 1.00 0.00 O ATOM 691 CB LYS A 45 -17.345 -4.453 3.700 1.00 0.00 C ATOM 692 CG LYS A 45 -17.806 -3.163 4.360 1.00 0.00 C ATOM 693 CD LYS A 45 -17.309 -3.062 5.793 1.00 0.00 C ATOM 694 CE LYS A 45 -18.239 -2.215 6.647 1.00 0.00 C ATOM 695 NZ LYS A 45 -17.720 -2.044 8.032 1.00 0.00 N ATOM 0 H LYS A 45 -14.287 -3.259 3.918 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.545 -4.879 4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.663 -4.451 2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.841 -5.295 4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.443 -2.310 3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -18.895 -3.115 4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.228 -4.061 6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.309 -2.629 5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.367 -1.237 6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -19.224 -2.681 6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.383 -1.461 8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.622 -2.976 8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.792 -1.576 8.000 1.00 0.00 H new ATOM 709 N MET A 46 -15.420 -5.667 1.582 1.00 0.00 N ATOM 710 CA MET A 46 -15.064 -6.739 0.654 1.00 0.00 C ATOM 711 C MET A 46 -13.742 -7.393 1.052 1.00 0.00 C ATOM 712 O MET A 46 -12.823 -6.723 1.520 1.00 0.00 O ATOM 713 CB MET A 46 -14.970 -6.200 -0.776 1.00 0.00 C ATOM 714 CG MET A 46 -16.306 -6.157 -1.499 1.00 0.00 C ATOM 715 SD MET A 46 -17.318 -4.749 -1.007 1.00 0.00 S ATOM 716 CE MET A 46 -18.530 -4.725 -2.325 1.00 0.00 C ATOM 0 H MET A 46 -15.645 -4.778 1.135 1.00 0.00 H new ATOM 0 HA MET A 46 -15.849 -7.494 0.698 1.00 0.00 H new ATOM 0 HB2 MET A 46 -14.548 -5.195 -0.750 1.00 0.00 H new ATOM 0 HB3 MET A 46 -14.278 -6.821 -1.345 1.00 0.00 H new ATOM 0 HG2 MET A 46 -16.131 -6.116 -2.574 1.00 0.00 H new ATOM 0 HG3 MET A 46 -16.852 -7.079 -1.300 1.00 0.00 H new ATOM 0 HE1 MET A 46 -19.230 -3.905 -2.161 1.00 0.00 H new ATOM 0 HE2 MET A 46 -18.025 -4.586 -3.281 1.00 0.00 H new ATOM 0 HE3 MET A 46 -19.074 -5.669 -2.336 1.00 0.00 H new ATOM 726 N LYS A 47 -13.660 -8.708 0.869 1.00 0.00 N ATOM 727 CA LYS A 47 -12.456 -9.458 1.215 1.00 0.00 C ATOM 728 C LYS A 47 -11.232 -8.910 0.478 1.00 0.00 C ATOM 729 O LYS A 47 -11.240 -8.791 -0.747 1.00 0.00 O ATOM 730 CB LYS A 47 -12.642 -10.939 0.880 1.00 0.00 C ATOM 731 CG LYS A 47 -13.242 -11.749 2.017 1.00 0.00 C ATOM 732 CD LYS A 47 -14.761 -11.709 1.990 1.00 0.00 C ATOM 733 CE LYS A 47 -15.342 -11.656 3.393 1.00 0.00 C ATOM 734 NZ LYS A 47 -16.734 -11.126 3.398 1.00 0.00 N ATOM 0 H LYS A 47 -14.414 -9.277 0.483 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.289 -9.348 2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.285 -11.027 0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.676 -11.366 0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.903 -12.783 1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.884 -11.360 2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.093 -10.838 1.425 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.140 -12.590 1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.333 -12.655 3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.712 -11.028 4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.094 -11.106 4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.740 -10.162 3.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.341 -11.739 2.817 1.00 0.00 H new ATOM 748 N PRO A 48 -10.160 -8.566 1.218 1.00 0.00 N ATOM 749 CA PRO A 48 -8.935 -8.029 0.629 1.00 0.00 C ATOM 750 C PRO A 48 -7.994 -9.125 0.134 1.00 0.00 C ATOM 751 O PRO A 48 -8.356 -10.300 0.101 1.00 0.00 O ATOM 752 CB PRO A 48 -8.309 -7.274 1.798 1.00 0.00 C ATOM 753 CG PRO A 48 -8.719 -8.046 3.005 1.00 0.00 C ATOM 754 CD PRO A 48 -10.059 -8.668 2.688 1.00 0.00 C ATOM 0 HA PRO A 48 -9.131 -7.415 -0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.224 -7.229 1.706 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.668 -6.246 1.844 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.982 -8.814 3.242 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.791 -7.394 3.875 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.107 -9.705 3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.873 -8.137 3.182 1.00 0.00 H new ATOM 762 N PHE A 49 -6.783 -8.728 -0.248 1.00 0.00 N ATOM 763 CA PHE A 49 -5.786 -9.672 -0.741 1.00 0.00 C ATOM 764 C PHE A 49 -4.407 -9.376 -0.161 1.00 0.00 C ATOM 765 O PHE A 49 -3.733 -8.441 -0.592 1.00 0.00 O ATOM 766 CB PHE A 49 -5.712 -9.626 -2.269 1.00 0.00 C ATOM 767 CG PHE A 49 -4.573 -10.435 -2.835 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.709 -11.799 -3.039 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.361 -9.833 -3.147 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.662 -12.546 -3.546 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.312 -10.576 -3.650 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.462 -11.933 -3.851 1.00 0.00 C ATOM 0 H PHE A 49 -6.469 -7.758 -0.225 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.094 -10.668 -0.421 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.651 -9.994 -2.683 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.607 -8.590 -2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.644 -12.284 -2.799 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.238 -8.771 -2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.782 -13.608 -3.703 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.374 -10.095 -3.886 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.643 -12.515 -4.246 1.00 0.00 H new ATOM 782 N LEU A 50 -3.985 -10.187 0.799 1.00 0.00 N ATOM 783 CA LEU A 50 -2.680 -10.021 1.414 1.00 0.00 C ATOM 784 C LEU A 50 -1.680 -10.989 0.785 1.00 0.00 C ATOM 785 O LEU A 50 -1.785 -12.202 0.966 1.00 0.00 O ATOM 786 CB LEU A 50 -2.775 -10.268 2.922 1.00 0.00 C ATOM 787 CG LEU A 50 -2.935 -9.011 3.781 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.901 -9.366 5.258 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.850 -7.998 3.448 1.00 0.00 C ATOM 0 H LEU A 50 -4.530 -10.967 1.168 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.337 -9.000 1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.621 -10.929 3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.878 -10.797 3.244 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.904 -8.563 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.016 -8.460 5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.714 -10.055 5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.948 -9.838 5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.978 -7.110 4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.871 -8.437 3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.922 -7.720 2.397 1.00 0.00 H new ATOM 801 N LYS A 51 -0.717 -10.452 0.035 1.00 0.00 N ATOM 802 CA LYS A 51 0.291 -11.277 -0.629 1.00 0.00 C ATOM 803 C LYS A 51 0.832 -12.358 0.304 1.00 0.00 C ATOM 804 O LYS A 51 0.807 -13.544 -0.024 1.00 0.00 O ATOM 805 CB LYS A 51 1.440 -10.404 -1.134 1.00 0.00 C ATOM 806 CG LYS A 51 2.540 -11.187 -1.833 1.00 0.00 C ATOM 807 CD LYS A 51 2.120 -11.610 -3.232 1.00 0.00 C ATOM 808 CE LYS A 51 2.841 -12.874 -3.671 1.00 0.00 C ATOM 809 NZ LYS A 51 4.319 -12.739 -3.559 1.00 0.00 N ATOM 0 H LYS A 51 -0.614 -9.450 -0.127 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.188 -11.769 -1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.043 -9.659 -1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.871 -9.862 -0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.441 -10.577 -1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.790 -12.070 -1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.043 -11.777 -3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.333 -10.805 -3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.506 -13.713 -3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.575 -13.104 -4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.777 -13.558 -4.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.625 -11.867 -4.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.589 -12.698 -2.555 1.00 0.00 H new ATOM 823 N SER A 52 1.321 -11.943 1.468 1.00 0.00 N ATOM 824 CA SER A 52 1.865 -12.881 2.443 1.00 0.00 C ATOM 825 C SER A 52 1.993 -12.233 3.818 1.00 0.00 C ATOM 826 O SER A 52 1.917 -11.011 3.949 1.00 0.00 O ATOM 827 CB SER A 52 3.231 -13.397 1.982 1.00 0.00 C ATOM 828 OG SER A 52 3.426 -13.162 0.598 1.00 0.00 O ATOM 0 H SER A 52 1.352 -10.966 1.759 1.00 0.00 H new ATOM 0 HA SER A 52 1.173 -13.720 2.521 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.020 -12.906 2.552 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.308 -14.465 2.187 1.00 0.00 H new ATOM 0 HG SER A 52 4.306 -13.499 0.330 1.00 0.00 H new ATOM 834 N GLY A 53 2.181 -13.063 4.839 1.00 0.00 N ATOM 835 CA GLY A 53 2.310 -12.552 6.201 1.00 0.00 C ATOM 836 C GLY A 53 3.413 -11.508 6.347 1.00 0.00 C ATOM 837 O GLY A 53 3.497 -10.842 7.379 1.00 0.00 O ATOM 0 H GLY A 53 2.247 -14.077 4.753 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.361 -12.114 6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.513 -13.383 6.877 1.00 0.00 H new ATOM 841 N ALA A 54 4.268 -11.359 5.326 1.00 0.00 N ATOM 842 CA ALA A 54 5.357 -10.389 5.386 1.00 0.00 C ATOM 843 C ALA A 54 4.864 -8.956 5.190 1.00 0.00 C ATOM 844 O ALA A 54 5.662 -8.018 5.176 1.00 0.00 O ATOM 845 CB ALA A 54 6.418 -10.726 4.349 1.00 0.00 C ATOM 0 H ALA A 54 4.224 -11.894 4.459 1.00 0.00 H new ATOM 0 HA ALA A 54 5.792 -10.450 6.383 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.225 -9.995 4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.816 -11.722 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.974 -10.703 3.354 1.00 0.00 H new ATOM 851 N PHE A 55 3.554 -8.785 5.044 1.00 0.00 N ATOM 852 CA PHE A 55 2.980 -7.458 4.856 1.00 0.00 C ATOM 853 C PHE A 55 1.792 -7.231 5.780 1.00 0.00 C ATOM 854 O PHE A 55 1.143 -8.177 6.226 1.00 0.00 O ATOM 855 CB PHE A 55 2.532 -7.258 3.408 1.00 0.00 C ATOM 856 CG PHE A 55 3.617 -7.491 2.401 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.578 -6.525 2.182 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.671 -8.667 1.670 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.579 -6.720 1.252 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.670 -8.872 0.738 1.00 0.00 C ATOM 861 CZ PHE A 55 5.626 -7.896 0.529 1.00 0.00 C ATOM 0 H PHE A 55 2.873 -9.545 5.052 1.00 0.00 H new ATOM 0 HA PHE A 55 3.759 -6.736 5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.703 -7.933 3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.153 -6.243 3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.546 -5.604 2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.925 -9.431 1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.324 -5.955 1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.704 -9.793 0.174 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.409 -8.053 -0.199 1.00 0.00 H new ATOM 871 N GLU A 56 1.511 -5.964 6.048 1.00 0.00 N ATOM 872 CA GLU A 56 0.397 -5.587 6.902 1.00 0.00 C ATOM 873 C GLU A 56 -0.113 -4.202 6.523 1.00 0.00 C ATOM 874 O GLU A 56 0.629 -3.219 6.578 1.00 0.00 O ATOM 875 CB GLU A 56 0.816 -5.610 8.373 1.00 0.00 C ATOM 876 CG GLU A 56 -0.317 -5.289 9.335 1.00 0.00 C ATOM 877 CD GLU A 56 0.151 -4.506 10.546 1.00 0.00 C ATOM 878 OE1 GLU A 56 1.212 -4.855 11.105 1.00 0.00 O ATOM 879 OE2 GLU A 56 -0.543 -3.544 10.935 1.00 0.00 O ATOM 0 H GLU A 56 2.044 -5.175 5.683 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.407 -6.309 6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.216 -6.595 8.612 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.623 -4.893 8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.083 -4.717 8.811 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.783 -6.218 9.665 1.00 0.00 H new ATOM 886 N ILE A 57 -1.379 -4.132 6.126 1.00 0.00 N ATOM 887 CA ILE A 57 -1.983 -2.867 5.727 1.00 0.00 C ATOM 888 C ILE A 57 -2.290 -1.991 6.940 1.00 0.00 C ATOM 889 O ILE A 57 -3.290 -2.188 7.630 1.00 0.00 O ATOM 890 CB ILE A 57 -3.272 -3.089 4.907 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.780 -1.759 4.347 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.348 -3.765 5.749 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.560 -1.907 3.058 1.00 0.00 C ATOM 0 H ILE A 57 -2.005 -4.935 6.072 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.255 -2.354 5.098 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.036 -3.751 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.413 -1.278 5.093 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.931 -1.098 4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.245 -3.909 5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.984 -4.732 6.096 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.585 -3.138 6.608 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.890 -0.925 2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.924 -2.360 2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.429 -2.542 3.229 1.00 0.00 H new ATOM 905 N LEU A 58 -1.417 -1.021 7.195 1.00 0.00 N ATOM 906 CA LEU A 58 -1.584 -0.110 8.323 1.00 0.00 C ATOM 907 C LEU A 58 -2.987 0.496 8.340 1.00 0.00 C ATOM 908 O LEU A 58 -3.736 0.382 7.370 1.00 0.00 O ATOM 909 CB LEU A 58 -0.532 1.002 8.263 1.00 0.00 C ATOM 910 CG LEU A 58 0.456 1.029 9.432 1.00 0.00 C ATOM 911 CD1 LEU A 58 0.992 -0.366 9.719 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.599 1.987 9.135 1.00 0.00 C ATOM 0 H LEU A 58 -0.584 -0.845 6.634 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.450 -0.681 9.242 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.031 0.898 7.335 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.045 1.963 8.219 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.072 1.379 10.319 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.692 -0.322 10.553 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.165 -1.028 9.974 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.504 -0.748 8.836 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.294 1.996 9.975 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.122 1.662 8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.202 2.991 8.982 1.00 0.00 H new ATOM 924 N ALA A 59 -3.335 1.134 9.453 1.00 0.00 N ATOM 925 CA ALA A 59 -4.646 1.753 9.604 1.00 0.00 C ATOM 926 C ALA A 59 -4.814 2.952 8.672 1.00 0.00 C ATOM 927 O ALA A 59 -5.934 3.321 8.320 1.00 0.00 O ATOM 928 CB ALA A 59 -4.864 2.176 11.049 1.00 0.00 C ATOM 0 H ALA A 59 -2.726 1.236 10.265 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.397 1.012 9.330 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.847 2.637 11.149 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.806 1.301 11.697 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.096 2.893 11.338 1.00 0.00 H new ATOM 934 N ASN A 60 -3.698 3.559 8.277 1.00 0.00 N ATOM 935 CA ASN A 60 -3.734 4.716 7.389 1.00 0.00 C ATOM 936 C ASN A 60 -3.515 4.303 5.936 1.00 0.00 C ATOM 937 O ASN A 60 -2.927 5.049 5.151 1.00 0.00 O ATOM 938 CB ASN A 60 -2.681 5.744 7.809 1.00 0.00 C ATOM 939 CG ASN A 60 -1.265 5.222 7.661 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.802 4.473 8.655 1.00 0.00 O flip ATOM 941 ND2 ASN A 60 -0.592 5.492 6.665 1.00 0.00 N flip ATOM 0 H ASN A 60 -2.761 3.270 8.557 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.722 5.168 7.468 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.797 6.645 7.206 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.852 6.031 8.847 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.987 6.071 5.924 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.360 5.136 6.581 1.00 0.00 H new ATOM 948 N GLY A 61 -3.990 3.113 5.582 1.00 0.00 N ATOM 949 CA GLY A 61 -3.838 2.624 4.223 1.00 0.00 C ATOM 950 C GLY A 61 -2.387 2.556 3.788 1.00 0.00 C ATOM 951 O GLY A 61 -2.073 2.768 2.616 1.00 0.00 O ATOM 0 H GLY A 61 -4.478 2.477 6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.284 1.632 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.388 3.275 3.543 1.00 0.00 H new ATOM 955 N ASP A 62 -1.500 2.260 4.732 1.00 0.00 N ATOM 956 CA ASP A 62 -0.075 2.163 4.438 1.00 0.00 C ATOM 957 C ASP A 62 0.366 0.705 4.337 1.00 0.00 C ATOM 958 O ASP A 62 -0.353 -0.202 4.756 1.00 0.00 O ATOM 959 CB ASP A 62 0.745 2.885 5.512 1.00 0.00 C ATOM 960 CG ASP A 62 1.759 3.842 4.917 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.340 4.878 4.358 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.971 3.557 5.009 1.00 0.00 O ATOM 0 H ASP A 62 -1.743 2.083 5.707 1.00 0.00 H new ATOM 0 HA ASP A 62 0.101 2.643 3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.073 3.435 6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.262 2.149 6.127 1.00 0.00 H new ATOM 967 N LEU A 63 1.556 0.490 3.783 1.00 0.00 N ATOM 968 CA LEU A 63 2.098 -0.865 3.632 1.00 0.00 C ATOM 969 C LEU A 63 3.197 -1.117 4.658 1.00 0.00 C ATOM 970 O LEU A 63 4.194 -0.397 4.698 1.00 0.00 O ATOM 971 CB LEU A 63 2.665 -1.055 2.224 1.00 0.00 C ATOM 972 CG LEU A 63 2.918 -2.506 1.814 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.621 -3.183 1.398 1.00 0.00 C ATOM 974 CD2 LEU A 63 3.934 -2.558 0.685 1.00 0.00 C ATOM 0 H LEU A 63 2.164 1.230 3.432 1.00 0.00 H new ATOM 0 HA LEU A 63 1.288 -1.576 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.975 -0.607 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.603 -0.505 2.150 1.00 0.00 H new ATOM 0 HG LEU A 63 3.319 -3.045 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.825 -4.214 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.920 -3.171 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.187 -2.650 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.108 -3.595 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.553 -2.005 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.871 -2.111 1.018 1.00 0.00 H new ATOM 986 N LYS A 64 3.014 -2.138 5.490 1.00 0.00 N ATOM 987 CA LYS A 64 4.000 -2.467 6.509 1.00 0.00 C ATOM 988 C LYS A 64 4.749 -3.747 6.156 1.00 0.00 C ATOM 989 O LYS A 64 4.182 -4.841 6.198 1.00 0.00 O ATOM 990 CB LYS A 64 3.324 -2.619 7.873 1.00 0.00 C ATOM 991 CG LYS A 64 4.149 -2.071 9.026 1.00 0.00 C ATOM 992 CD LYS A 64 5.034 -3.144 9.637 1.00 0.00 C ATOM 993 CE LYS A 64 5.896 -2.585 10.758 1.00 0.00 C ATOM 994 NZ LYS A 64 5.075 -1.968 11.835 1.00 0.00 N ATOM 0 H LYS A 64 2.196 -2.748 5.478 1.00 0.00 H new ATOM 0 HA LYS A 64 4.720 -1.650 6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.361 -2.108 7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.120 -3.675 8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.767 -1.246 8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.485 -1.667 9.790 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.413 -3.953 10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.673 -3.573 8.865 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.506 -3.384 11.179 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.581 -1.841 10.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.670 -1.799 12.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.685 -1.064 11.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.296 -2.609 12.088 1.00 0.00 H new ATOM 1008 N ILE A 65 6.028 -3.604 5.816 1.00 0.00 N ATOM 1009 CA ILE A 65 6.861 -4.750 5.466 1.00 0.00 C ATOM 1010 C ILE A 65 7.550 -5.299 6.716 1.00 0.00 C ATOM 1011 O ILE A 65 8.012 -4.532 7.562 1.00 0.00 O ATOM 1012 CB ILE A 65 7.927 -4.377 4.418 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.360 -3.357 3.416 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.426 -5.629 3.707 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.268 -3.082 2.233 1.00 0.00 C ATOM 0 H ILE A 65 6.509 -2.706 5.776 1.00 0.00 H new ATOM 0 HA ILE A 65 6.210 -5.511 5.037 1.00 0.00 H new ATOM 0 HB ILE A 65 8.774 -3.914 4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.401 -3.720 3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.167 -2.420 3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.179 -5.353 2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.865 -6.311 4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.591 -6.121 3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.796 -2.353 1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.220 -2.687 2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.442 -4.008 1.685 1.00 0.00 H new ATOM 1027 N LYS A 66 7.601 -6.621 6.843 1.00 0.00 N ATOM 1028 CA LYS A 66 8.218 -7.250 8.010 1.00 0.00 C ATOM 1029 C LYS A 66 9.685 -7.586 7.772 1.00 0.00 C ATOM 1030 O LYS A 66 10.528 -7.398 8.649 1.00 0.00 O ATOM 1031 CB LYS A 66 7.451 -8.517 8.396 1.00 0.00 C ATOM 1032 CG LYS A 66 7.954 -9.167 9.674 1.00 0.00 C ATOM 1033 CD LYS A 66 7.027 -10.280 10.135 1.00 0.00 C ATOM 1034 CE LYS A 66 7.427 -10.808 11.502 1.00 0.00 C ATOM 1035 NZ LYS A 66 7.023 -9.882 12.596 1.00 0.00 N ATOM 0 H LYS A 66 7.225 -7.276 6.157 1.00 0.00 H new ATOM 0 HA LYS A 66 8.172 -6.530 8.827 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.396 -8.271 8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.521 -9.237 7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.954 -9.569 9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.038 -8.414 10.458 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.003 -9.909 10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.045 -11.094 9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.967 -11.783 11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.506 -10.956 11.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.284 -10.295 13.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.508 -8.970 12.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.994 -9.734 12.563 1.00 0.00 H new ATOM 1049 N ASN A 67 9.976 -8.091 6.588 1.00 0.00 N ATOM 1050 CA ASN A 67 11.336 -8.468 6.225 1.00 0.00 C ATOM 1051 C ASN A 67 11.631 -8.083 4.782 1.00 0.00 C ATOM 1052 O ASN A 67 11.127 -8.710 3.849 1.00 0.00 O ATOM 1053 CB ASN A 67 11.532 -9.974 6.416 1.00 0.00 C ATOM 1054 CG ASN A 67 12.969 -10.406 6.210 1.00 0.00 C ATOM 1055 OD1 ASN A 67 13.691 -10.681 7.168 1.00 0.00 O ATOM 1056 ND2 ASN A 67 13.394 -10.468 4.952 1.00 0.00 N ATOM 0 H ASN A 67 9.286 -8.252 5.854 1.00 0.00 H new ATOM 0 HA ASN A 67 12.028 -7.933 6.875 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.213 -10.254 7.420 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.891 -10.511 5.717 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.353 -10.752 4.751 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.761 -10.231 4.188 1.00 0.00 H new ATOM 1063 N LEU A 68 12.440 -7.046 4.599 1.00 0.00 N ATOM 1064 CA LEU A 68 12.786 -6.579 3.268 1.00 0.00 C ATOM 1065 C LEU A 68 13.422 -7.682 2.440 1.00 0.00 C ATOM 1066 O LEU A 68 14.174 -8.511 2.954 1.00 0.00 O ATOM 1067 CB LEU A 68 13.718 -5.379 3.360 1.00 0.00 C ATOM 1068 CG LEU A 68 13.008 -4.069 3.669 1.00 0.00 C ATOM 1069 CD1 LEU A 68 13.916 -3.137 4.454 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.530 -3.410 2.387 1.00 0.00 C ATOM 0 H LEU A 68 12.867 -6.515 5.358 1.00 0.00 H new ATOM 0 HA LEU A 68 11.866 -6.278 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.463 -5.568 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.256 -5.276 2.418 1.00 0.00 H new ATOM 0 HG LEU A 68 12.136 -4.286 4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.388 -2.207 4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.201 -3.612 5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.811 -2.923 3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.024 -2.474 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.385 -3.206 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.837 -4.076 1.872 1.00 0.00 H new ATOM 1082 N THR A 69 13.107 -7.677 1.153 1.00 0.00 N ATOM 1083 CA THR A 69 13.633 -8.673 0.226 1.00 0.00 C ATOM 1084 C THR A 69 13.897 -8.059 -1.146 1.00 0.00 C ATOM 1085 O THR A 69 13.344 -7.013 -1.486 1.00 0.00 O ATOM 1086 CB THR A 69 12.657 -9.844 0.101 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.321 -9.379 0.032 1.00 0.00 O ATOM 1088 CG2 THR A 69 12.746 -10.821 1.252 1.00 0.00 C ATOM 0 H THR A 69 12.486 -6.991 0.723 1.00 0.00 H new ATOM 0 HA THR A 69 14.580 -9.039 0.622 1.00 0.00 H new ATOM 0 HB THR A 69 12.941 -10.361 -0.816 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.024 -9.373 -0.902 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.028 -11.627 1.101 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.753 -11.236 1.300 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.522 -10.305 2.186 1.00 0.00 H new ATOM 1096 N ARG A 70 14.745 -8.718 -1.931 1.00 0.00 N ATOM 1097 CA ARG A 70 15.088 -8.235 -3.272 1.00 0.00 C ATOM 1098 C ARG A 70 13.832 -7.937 -4.084 1.00 0.00 C ATOM 1099 O ARG A 70 13.647 -6.823 -4.573 1.00 0.00 O ATOM 1100 CB ARG A 70 15.952 -9.263 -4.015 1.00 0.00 C ATOM 1101 CG ARG A 70 16.965 -9.986 -3.133 1.00 0.00 C ATOM 1102 CD ARG A 70 16.553 -11.428 -2.879 1.00 0.00 C ATOM 1103 NE ARG A 70 17.708 -12.296 -2.665 1.00 0.00 N ATOM 1104 CZ ARG A 70 17.622 -13.611 -2.473 1.00 0.00 C ATOM 1105 NH1 ARG A 70 16.438 -14.211 -2.467 1.00 0.00 N ATOM 1106 NH2 ARG A 70 18.722 -14.328 -2.287 1.00 0.00 N ATOM 0 H ARG A 70 15.208 -9.587 -1.665 1.00 0.00 H new ATOM 0 HA ARG A 70 15.656 -7.312 -3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.299 -10.002 -4.479 1.00 0.00 H new ATOM 0 HB3 ARG A 70 16.485 -8.758 -4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 70 17.945 -9.965 -3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 70 17.062 -9.461 -2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.901 -11.471 -2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.975 -11.795 -3.727 1.00 0.00 H new ATOM 0 HE ARG A 70 18.635 -11.870 -2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.589 -13.665 -2.610 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.378 -15.218 -2.320 1.00 0.00 H new ATOM 0 HH21 ARG A 70 19.635 -13.872 -2.291 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.656 -15.335 -2.140 1.00 0.00 H new ATOM 1120 N ASP A 71 12.971 -8.939 -4.224 1.00 0.00 N ATOM 1121 CA ASP A 71 11.735 -8.794 -4.970 1.00 0.00 C ATOM 1122 C ASP A 71 10.909 -7.615 -4.458 1.00 0.00 C ATOM 1123 O ASP A 71 10.061 -7.086 -5.178 1.00 0.00 O ATOM 1124 CB ASP A 71 10.925 -10.084 -4.872 1.00 0.00 C ATOM 1125 CG ASP A 71 10.870 -10.634 -3.459 1.00 0.00 C ATOM 1126 OD1 ASP A 71 10.854 -9.825 -2.507 1.00 0.00 O ATOM 1127 OD2 ASP A 71 10.843 -11.873 -3.306 1.00 0.00 O ATOM 0 H ASP A 71 13.112 -9.867 -3.825 1.00 0.00 H new ATOM 0 HA ASP A 71 11.985 -8.596 -6.012 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.911 -9.899 -5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.361 -10.833 -5.533 1.00 0.00 H new ATOM 1132 N ASP A 72 11.157 -7.205 -3.216 1.00 0.00 N ATOM 1133 CA ASP A 72 10.428 -6.088 -2.625 1.00 0.00 C ATOM 1134 C ASP A 72 10.980 -4.747 -3.108 1.00 0.00 C ATOM 1135 O ASP A 72 10.341 -3.710 -2.938 1.00 0.00 O ATOM 1136 CB ASP A 72 10.486 -6.162 -1.099 1.00 0.00 C ATOM 1137 CG ASP A 72 9.170 -5.777 -0.451 1.00 0.00 C ATOM 1138 OD1 ASP A 72 8.289 -6.654 -0.329 1.00 0.00 O ATOM 1139 OD2 ASP A 72 9.020 -4.598 -0.067 1.00 0.00 O ATOM 0 H ASP A 72 11.854 -7.628 -2.603 1.00 0.00 H new ATOM 0 HA ASP A 72 9.389 -6.161 -2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.754 -7.174 -0.797 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.274 -5.502 -0.736 1.00 0.00 H new ATOM 1144 N SER A 73 12.166 -4.771 -3.712 1.00 0.00 N ATOM 1145 CA SER A 73 12.787 -3.552 -4.216 1.00 0.00 C ATOM 1146 C SER A 73 12.194 -3.171 -5.568 1.00 0.00 C ATOM 1147 O SER A 73 12.117 -3.999 -6.475 1.00 0.00 O ATOM 1148 CB SER A 73 14.301 -3.736 -4.343 1.00 0.00 C ATOM 1149 OG SER A 73 14.974 -2.491 -4.277 1.00 0.00 O ATOM 0 H SER A 73 12.713 -5.618 -3.863 1.00 0.00 H new ATOM 0 HA SER A 73 12.589 -2.749 -3.506 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.659 -4.389 -3.547 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.533 -4.228 -5.288 1.00 0.00 H new ATOM 0 HG SER A 73 14.334 -1.784 -4.051 1.00 0.00 H new ATOM 1155 N GLY A 74 11.768 -1.919 -5.698 1.00 0.00 N ATOM 1156 CA GLY A 74 11.186 -1.464 -6.933 1.00 0.00 C ATOM 1157 C GLY A 74 10.178 -0.356 -6.714 1.00 0.00 C ATOM 1158 O GLY A 74 10.128 0.252 -5.645 1.00 0.00 O ATOM 0 H GLY A 74 11.819 -1.214 -4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.975 -1.110 -7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.700 -2.301 -7.434 1.00 0.00 H new ATOM 1162 N THR A 75 9.383 -0.095 -7.735 1.00 0.00 N ATOM 1163 CA THR A 75 8.366 0.950 -7.686 1.00 0.00 C ATOM 1164 C THR A 75 7.008 0.386 -7.266 1.00 0.00 C ATOM 1165 O THR A 75 6.506 -0.559 -7.872 1.00 0.00 O ATOM 1166 CB THR A 75 8.253 1.588 -9.067 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.465 1.441 -9.787 1.00 0.00 O ATOM 1168 CG2 THR A 75 7.928 3.058 -9.023 1.00 0.00 C ATOM 0 H THR A 75 9.420 -0.598 -8.622 1.00 0.00 H new ATOM 0 HA THR A 75 8.661 1.693 -6.946 1.00 0.00 H new ATOM 0 HB THR A 75 7.432 1.065 -9.558 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.373 1.855 -10.671 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.863 3.447 -10.039 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.974 3.205 -8.516 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.712 3.588 -8.482 1.00 0.00 H new ATOM 1176 N TYR A 76 6.412 0.985 -6.236 1.00 0.00 N ATOM 1177 CA TYR A 76 5.105 0.552 -5.750 1.00 0.00 C ATOM 1178 C TYR A 76 4.027 1.535 -6.196 1.00 0.00 C ATOM 1179 O TYR A 76 4.180 2.745 -6.039 1.00 0.00 O ATOM 1180 CB TYR A 76 5.103 0.442 -4.224 1.00 0.00 C ATOM 1181 CG TYR A 76 5.849 -0.763 -3.697 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.224 -0.869 -3.850 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.180 -1.791 -3.043 1.00 0.00 C ATOM 1184 CE1 TYR A 76 7.913 -1.965 -3.367 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.863 -2.891 -2.555 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.229 -2.972 -2.719 1.00 0.00 C ATOM 1187 OH TYR A 76 7.909 -4.069 -2.237 1.00 0.00 O ATOM 0 H TYR A 76 6.813 1.770 -5.723 1.00 0.00 H new ATOM 0 HA TYR A 76 4.893 -0.431 -6.171 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.547 1.345 -3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.072 0.401 -3.874 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.765 -0.082 -4.355 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.110 -1.730 -2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.983 -2.033 -3.496 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.329 -3.681 -2.049 1.00 0.00 H new ATOM 0 HH TYR A 76 8.816 -3.804 -1.978 1.00 0.00 H new ATOM 1197 N ASN A 77 2.946 1.012 -6.763 1.00 0.00 N ATOM 1198 CA ASN A 77 1.855 1.854 -7.239 1.00 0.00 C ATOM 1199 C ASN A 77 0.587 1.648 -6.417 1.00 0.00 C ATOM 1200 O ASN A 77 0.100 0.523 -6.275 1.00 0.00 O ATOM 1201 CB ASN A 77 1.570 1.550 -8.711 1.00 0.00 C ATOM 1202 CG ASN A 77 2.572 2.202 -9.644 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.307 3.256 -10.220 1.00 0.00 O ATOM 1204 ND2 ASN A 77 3.731 1.573 -9.797 1.00 0.00 N ATOM 0 H ASN A 77 2.802 0.012 -6.904 1.00 0.00 H new ATOM 0 HA ASN A 77 2.162 2.894 -7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.584 0.471 -8.865 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.567 1.895 -8.962 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.445 1.962 -10.413 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.907 0.701 -9.299 1.00 0.00 H new ATOM 1211 N VAL A 78 0.045 2.746 -5.889 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.179 2.682 -5.098 1.00 0.00 C ATOM 1213 C VAL A 78 -2.354 3.299 -5.852 1.00 0.00 C ATOM 1214 O VAL A 78 -2.263 4.426 -6.346 1.00 0.00 O ATOM 1215 CB VAL A 78 -1.065 3.402 -3.732 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.862 2.644 -2.679 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.389 3.580 -3.294 1.00 0.00 C ATOM 0 H VAL A 78 0.433 3.683 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.345 1.620 -4.919 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.483 4.402 -3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.777 3.156 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.910 2.601 -2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.470 1.631 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.419 4.090 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.864 2.603 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.922 4.175 -4.036 1.00 0.00 H new ATOM 1227 N THR A 79 -3.461 2.561 -5.912 1.00 0.00 N ATOM 1228 CA THR A 79 -4.668 3.034 -6.577 1.00 0.00 C ATOM 1229 C THR A 79 -5.791 3.179 -5.556 1.00 0.00 C ATOM 1230 O THR A 79 -6.436 2.200 -5.183 1.00 0.00 O ATOM 1231 CB THR A 79 -5.084 2.073 -7.695 1.00 0.00 C ATOM 1232 OG1 THR A 79 -4.091 1.086 -7.909 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.331 2.769 -9.016 1.00 0.00 C ATOM 0 H THR A 79 -3.544 1.629 -5.505 1.00 0.00 H new ATOM 0 HA THR A 79 -4.464 4.006 -7.026 1.00 0.00 H new ATOM 0 HB THR A 79 -6.017 1.623 -7.356 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.505 0.283 -8.289 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.622 2.034 -9.766 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.129 3.502 -8.897 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.420 3.274 -9.337 1.00 0.00 H new ATOM 1241 N VAL A 80 -6.000 4.405 -5.093 1.00 0.00 N ATOM 1242 CA VAL A 80 -7.027 4.683 -4.096 1.00 0.00 C ATOM 1243 C VAL A 80 -8.353 5.061 -4.747 1.00 0.00 C ATOM 1244 O VAL A 80 -8.425 6.011 -5.527 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.576 5.817 -3.145 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.683 6.191 -2.171 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.312 5.423 -2.389 1.00 0.00 C ATOM 0 H VAL A 80 -5.471 5.224 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.173 3.768 -3.522 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.353 6.691 -3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.336 6.990 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.557 6.531 -2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.950 5.321 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.015 6.237 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.505 4.527 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.510 5.223 -3.100 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.405 4.315 -4.413 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.730 4.579 -4.955 1.00 0.00 C ATOM 1259 C TYR A 81 -11.703 4.974 -3.856 1.00 0.00 C ATOM 1260 O TYR A 81 -11.554 4.575 -2.696 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.276 3.363 -5.685 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.470 2.963 -6.901 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -10.684 3.575 -8.130 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -9.500 1.973 -6.822 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -9.954 3.213 -9.245 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -8.765 1.605 -7.933 1.00 0.00 C ATOM 1267 CZ TYR A 81 -8.995 2.227 -9.141 1.00 0.00 C ATOM 1268 OH TYR A 81 -8.265 1.863 -10.250 1.00 0.00 O ATOM 0 H TYR A 81 -9.362 3.524 -3.770 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.628 5.405 -5.659 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.312 2.522 -4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.302 3.567 -5.992 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.434 4.347 -8.215 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.317 1.483 -5.877 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.133 3.699 -10.193 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.014 0.833 -7.855 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.631 1.156 -10.007 1.00 0.00 H new ATOM 1278 N SER A 82 -12.701 5.748 -4.249 1.00 0.00 N ATOM 1279 CA SER A 82 -13.730 6.228 -3.333 1.00 0.00 C ATOM 1280 C SER A 82 -14.912 5.269 -3.268 1.00 0.00 C ATOM 1281 O SER A 82 -14.990 4.304 -4.030 1.00 0.00 O ATOM 1282 CB SER A 82 -14.211 7.616 -3.759 1.00 0.00 C ATOM 1283 OG SER A 82 -13.617 8.013 -4.985 1.00 0.00 O ATOM 0 H SER A 82 -12.823 6.063 -5.211 1.00 0.00 H new ATOM 0 HA SER A 82 -13.287 6.287 -2.339 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.296 7.611 -3.863 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.968 8.342 -2.983 1.00 0.00 H new ATOM 0 HG SER A 82 -13.944 8.903 -5.234 1.00 0.00 H new ATOM 1289 N THR A 83 -15.831 5.549 -2.352 1.00 0.00 N ATOM 1290 CA THR A 83 -17.022 4.723 -2.174 1.00 0.00 C ATOM 1291 C THR A 83 -17.822 4.619 -3.471 1.00 0.00 C ATOM 1292 O THR A 83 -18.594 3.680 -3.658 1.00 0.00 O ATOM 1293 CB THR A 83 -17.903 5.298 -1.065 1.00 0.00 C ATOM 1294 OG1 THR A 83 -17.999 6.707 -1.180 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.395 4.986 0.326 1.00 0.00 C ATOM 0 H THR A 83 -15.775 6.346 -1.717 1.00 0.00 H new ATOM 0 HA THR A 83 -16.696 3.722 -1.893 1.00 0.00 H new ATOM 0 HB THR A 83 -18.876 4.823 -1.195 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.568 7.056 -0.463 1.00 0.00 H new ATOM 0 HG21 THR A 83 -18.066 5.423 1.065 1.00 0.00 H new ATOM 0 HG22 THR A 83 -17.356 3.906 0.465 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.396 5.404 0.451 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.634 5.589 -4.362 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.343 5.599 -5.637 1.00 0.00 C ATOM 1305 C ASN A 84 -17.492 4.985 -6.745 1.00 0.00 C ATOM 1306 O ASN A 84 -17.660 5.310 -7.921 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.734 7.029 -6.013 1.00 0.00 C ATOM 1308 CG ASN A 84 -20.090 7.099 -6.689 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -20.459 6.211 -7.458 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -20.839 8.157 -6.405 1.00 0.00 N ATOM 0 H ASN A 84 -16.999 6.375 -4.225 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.245 4.997 -5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -18.746 7.647 -5.115 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -17.978 7.447 -6.678 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -21.761 8.258 -6.830 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -20.493 8.869 -5.762 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.578 4.095 -6.366 1.00 0.00 N ATOM 1318 CA GLY A 85 -15.719 3.450 -7.343 1.00 0.00 C ATOM 1319 C GLY A 85 -14.983 4.443 -8.222 1.00 0.00 C ATOM 1320 O GLY A 85 -14.606 4.124 -9.350 1.00 0.00 O ATOM 0 H GLY A 85 -16.418 3.810 -5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.994 2.823 -6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.320 2.791 -7.970 1.00 0.00 H new ATOM 1324 N THR A 86 -14.779 5.651 -7.706 1.00 0.00 N ATOM 1325 CA THR A 86 -14.085 6.694 -8.454 1.00 0.00 C ATOM 1326 C THR A 86 -12.594 6.695 -8.128 1.00 0.00 C ATOM 1327 O THR A 86 -12.180 6.224 -7.070 1.00 0.00 O ATOM 1328 CB THR A 86 -14.689 8.064 -8.141 1.00 0.00 C ATOM 1329 OG1 THR A 86 -16.006 7.929 -7.637 1.00 0.00 O ATOM 1330 CG2 THR A 86 -14.750 8.980 -9.344 1.00 0.00 C ATOM 0 H THR A 86 -15.084 5.932 -6.774 1.00 0.00 H new ATOM 0 HA THR A 86 -14.207 6.487 -9.517 1.00 0.00 H new ATOM 0 HB THR A 86 -14.026 8.509 -7.399 1.00 0.00 H new ATOM 0 HG1 THR A 86 -15.986 7.959 -6.658 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.189 9.934 -9.053 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.743 9.145 -9.727 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.363 8.521 -10.120 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.795 7.228 -9.046 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.349 7.292 -8.855 1.00 0.00 C ATOM 1340 C ARG A 87 -9.978 8.448 -7.933 1.00 0.00 C ATOM 1341 O ARG A 87 -10.060 9.614 -8.320 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.633 7.452 -10.201 1.00 0.00 C ATOM 1343 CG ARG A 87 -10.369 6.815 -11.372 1.00 0.00 C ATOM 1344 CD ARG A 87 -9.400 6.219 -12.381 1.00 0.00 C ATOM 1345 NE ARG A 87 -8.479 5.269 -11.762 1.00 0.00 N ATOM 1346 CZ ARG A 87 -7.531 4.613 -12.428 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -7.376 4.803 -13.732 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -6.736 3.767 -11.788 1.00 0.00 N ATOM 0 H ARG A 87 -12.122 7.621 -9.928 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.029 6.357 -8.394 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.497 8.514 -10.405 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.639 7.012 -10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.037 6.036 -11.003 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.992 7.563 -11.862 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.961 5.718 -13.170 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.831 7.020 -12.854 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.567 5.098 -10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.985 5.454 -14.228 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.648 4.298 -14.238 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.851 3.619 -10.785 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.010 3.264 -12.298 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.576 8.120 -6.709 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.198 9.137 -5.735 1.00 0.00 C ATOM 1364 C ILE A 88 -7.760 9.602 -5.947 1.00 0.00 C ATOM 1365 O ILE A 88 -7.522 10.733 -6.370 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.350 8.623 -4.287 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -10.796 8.193 -4.024 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -8.918 9.695 -3.291 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -11.059 7.784 -2.590 1.00 0.00 C ATOM 0 H ILE A 88 -9.504 7.161 -6.369 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.875 9.978 -5.887 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.703 7.755 -4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.463 9.014 -4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.043 7.359 -4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.032 9.315 -2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.874 9.955 -3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.539 10.582 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.104 7.493 -2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.418 6.942 -2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.845 8.623 -1.927 1.00 0.00 H new ATOM 1381 N LEU A 89 -6.805 8.732 -5.635 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.396 9.075 -5.780 1.00 0.00 C ATOM 1383 C LEU A 89 -4.573 7.896 -6.294 1.00 0.00 C ATOM 1384 O LEU A 89 -4.607 6.803 -5.730 1.00 0.00 O ATOM 1385 CB LEU A 89 -4.837 9.560 -4.437 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.308 9.582 -4.328 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -2.849 10.779 -3.508 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -2.794 8.284 -3.713 1.00 0.00 C ATOM 0 H LEU A 89 -6.980 7.791 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.323 9.874 -6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.212 10.566 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.231 8.921 -3.647 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.894 9.673 -5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.761 10.779 -3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.183 11.699 -3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.274 10.718 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.707 8.319 -3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.217 8.161 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.091 7.442 -4.339 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.811 8.147 -7.353 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.942 7.138 -7.943 1.00 0.00 C ATOM 1402 C ASN A 90 -1.492 7.573 -7.770 1.00 0.00 C ATOM 1403 O ASN A 90 -1.038 8.512 -8.424 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.267 6.945 -9.425 1.00 0.00 C ATOM 1405 CG ASN A 90 -3.393 5.482 -9.805 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -4.280 5.101 -10.568 1.00 0.00 O ATOM 1407 ND2 ASN A 90 -2.502 4.654 -9.272 1.00 0.00 N ATOM 0 H ASN A 90 -3.779 9.051 -7.824 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.101 6.185 -7.439 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.199 7.460 -9.660 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.486 7.408 -10.028 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.536 3.658 -9.491 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.783 5.014 -8.644 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.778 6.917 -6.863 1.00 0.00 N ATOM 1415 CA LYS A 91 0.610 7.286 -6.590 1.00 0.00 C ATOM 1416 C LYS A 91 1.591 6.165 -6.919 1.00 0.00 C ATOM 1417 O LYS A 91 1.216 4.999 -7.042 1.00 0.00 O ATOM 1418 CB LYS A 91 0.770 7.691 -5.124 1.00 0.00 C ATOM 1419 CG LYS A 91 -0.044 8.913 -4.737 1.00 0.00 C ATOM 1420 CD LYS A 91 0.702 10.201 -5.047 1.00 0.00 C ATOM 1421 CE LYS A 91 -0.238 11.281 -5.559 1.00 0.00 C ATOM 1422 NZ LYS A 91 0.319 11.985 -6.746 1.00 0.00 N ATOM 0 H LYS A 91 -1.129 6.136 -6.309 1.00 0.00 H new ATOM 0 HA LYS A 91 0.846 8.129 -7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.476 6.854 -4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.823 7.888 -4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.993 8.903 -5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.278 8.874 -3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.209 10.554 -4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.473 10.006 -5.792 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.197 10.834 -5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.428 12.003 -4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.056 12.954 -6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.356 12.017 -6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.047 11.476 -7.611 1.00 0.00 H new ATOM 1436 N ALA A 92 2.860 6.547 -7.043 1.00 0.00 N ATOM 1437 CA ALA A 92 3.934 5.611 -7.341 1.00 0.00 C ATOM 1438 C ALA A 92 5.212 6.029 -6.618 1.00 0.00 C ATOM 1439 O ALA A 92 5.710 7.136 -6.815 1.00 0.00 O ATOM 1440 CB ALA A 92 4.173 5.539 -8.840 1.00 0.00 C ATOM 0 H ALA A 92 3.169 7.513 -6.939 1.00 0.00 H new ATOM 0 HA ALA A 92 3.642 4.621 -6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.979 4.835 -9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.263 5.205 -9.338 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.449 6.526 -9.212 1.00 0.00 H new ATOM 1446 N LEU A 93 5.730 5.146 -5.772 1.00 0.00 N ATOM 1447 CA LEU A 93 6.942 5.440 -5.011 1.00 0.00 C ATOM 1448 C LEU A 93 8.076 4.492 -5.383 1.00 0.00 C ATOM 1449 O LEU A 93 7.844 3.420 -5.937 1.00 0.00 O ATOM 1450 CB LEU A 93 6.665 5.341 -3.507 1.00 0.00 C ATOM 1451 CG LEU A 93 5.250 5.733 -3.073 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.261 4.629 -3.412 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.219 6.037 -1.584 1.00 0.00 C ATOM 0 H LEU A 93 5.333 4.223 -5.595 1.00 0.00 H new ATOM 0 HA LEU A 93 7.247 6.457 -5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.854 4.317 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.377 5.976 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 93 4.959 6.632 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.261 4.926 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.265 4.455 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.547 3.713 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.207 6.314 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.530 5.154 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.898 6.861 -1.367 1.00 0.00 H new ATOM 1465 N ASP A 94 9.304 4.894 -5.061 1.00 0.00 N ATOM 1466 CA ASP A 94 10.478 4.080 -5.347 1.00 0.00 C ATOM 1467 C ASP A 94 11.052 3.510 -4.053 1.00 0.00 C ATOM 1468 O ASP A 94 11.565 4.250 -3.212 1.00 0.00 O ATOM 1469 CB ASP A 94 11.539 4.910 -6.070 1.00 0.00 C ATOM 1470 CG ASP A 94 10.985 5.620 -7.290 1.00 0.00 C ATOM 1471 OD1 ASP A 94 10.118 6.503 -7.121 1.00 0.00 O ATOM 1472 OD2 ASP A 94 11.418 5.293 -8.416 1.00 0.00 O ATOM 0 H ASP A 94 9.509 5.781 -4.601 1.00 0.00 H new ATOM 0 HA ASP A 94 10.179 3.255 -5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.952 5.646 -5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.360 4.261 -6.373 1.00 0.00 H new ATOM 1477 N LEU A 95 10.956 2.193 -3.893 1.00 0.00 N ATOM 1478 CA LEU A 95 11.458 1.536 -2.694 1.00 0.00 C ATOM 1479 C LEU A 95 12.800 0.854 -2.956 1.00 0.00 C ATOM 1480 O LEU A 95 12.847 -0.233 -3.535 1.00 0.00 O ATOM 1481 CB LEU A 95 10.444 0.500 -2.195 1.00 0.00 C ATOM 1482 CG LEU A 95 10.227 0.469 -0.679 1.00 0.00 C ATOM 1483 CD1 LEU A 95 9.339 -0.700 -0.289 1.00 0.00 C ATOM 1484 CD2 LEU A 95 11.554 0.395 0.060 1.00 0.00 C ATOM 0 H LEU A 95 10.536 1.563 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 95 11.604 2.301 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.486 0.693 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.771 -0.488 -2.518 1.00 0.00 H new ATOM 0 HG LEU A 95 9.728 1.395 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.197 -0.704 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.372 -0.602 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.810 -1.633 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.371 0.374 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.085 -0.510 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.158 1.268 -0.189 1.00 0.00 H new ATOM 1496 N ARG A 96 13.888 1.490 -2.523 1.00 0.00 N ATOM 1497 CA ARG A 96 15.222 0.928 -2.709 1.00 0.00 C ATOM 1498 C ARG A 96 15.690 0.221 -1.441 1.00 0.00 C ATOM 1499 O ARG A 96 15.788 0.829 -0.373 1.00 0.00 O ATOM 1500 CB ARG A 96 16.226 2.012 -3.118 1.00 0.00 C ATOM 1501 CG ARG A 96 15.582 3.298 -3.618 1.00 0.00 C ATOM 1502 CD ARG A 96 14.788 3.061 -4.894 1.00 0.00 C ATOM 1503 NE ARG A 96 15.515 2.224 -5.848 1.00 0.00 N ATOM 1504 CZ ARG A 96 14.932 1.530 -6.822 1.00 0.00 C ATOM 1505 NH1 ARG A 96 13.615 1.573 -6.982 1.00 0.00 N ATOM 1506 NH2 ARG A 96 15.668 0.793 -7.643 1.00 0.00 N ATOM 0 H ARG A 96 13.871 2.390 -2.044 1.00 0.00 H new ATOM 0 HA ARG A 96 15.167 0.196 -3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 96 16.861 2.245 -2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 96 16.875 1.615 -3.899 1.00 0.00 H new ATOM 0 HG2 ARG A 96 14.924 3.701 -2.848 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.354 4.046 -3.801 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.838 2.587 -4.646 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.554 4.019 -5.358 1.00 0.00 H new ATOM 0 HE ARG A 96 16.530 2.169 -5.761 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.043 2.141 -6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.175 1.039 -7.731 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.681 0.758 -7.528 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.221 0.261 -8.390 1.00 0.00 H new ATOM 1520 N ILE A 97 15.959 -1.074 -1.566 1.00 0.00 N ATOM 1521 CA ILE A 97 16.395 -1.878 -0.432 1.00 0.00 C ATOM 1522 C ILE A 97 17.837 -2.346 -0.593 1.00 0.00 C ATOM 1523 O ILE A 97 18.161 -3.084 -1.524 1.00 0.00 O ATOM 1524 CB ILE A 97 15.497 -3.115 -0.242 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.026 -2.758 -0.472 1.00 0.00 C ATOM 1526 CG2 ILE A 97 15.696 -3.702 1.147 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.186 -3.932 -0.924 1.00 0.00 C ATOM 0 H ILE A 97 15.882 -1.589 -2.443 1.00 0.00 H new ATOM 0 HA ILE A 97 16.322 -1.235 0.445 1.00 0.00 H new ATOM 0 HB ILE A 97 15.782 -3.865 -0.980 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.609 -2.356 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 97 13.964 -1.967 -1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.055 -4.576 1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.738 -3.996 1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.437 -2.956 1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.155 -3.608 -1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.579 -4.320 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.218 -4.715 -0.166 1.00 0.00 H new ATOM 1539 N LEU A 98 18.693 -1.923 0.328 1.00 0.00 N ATOM 1540 CA LEU A 98 20.087 -2.297 0.312 1.00 0.00 C ATOM 1541 C LEU A 98 20.252 -3.774 0.650 1.00 0.00 C ATOM 1542 O LEU A 98 19.881 -4.220 1.738 1.00 0.00 O ATOM 1543 CB LEU A 98 20.835 -1.434 1.319 1.00 0.00 C ATOM 1544 CG LEU A 98 21.500 -0.190 0.735 1.00 0.00 C ATOM 1545 CD1 LEU A 98 22.251 0.573 1.815 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.435 -0.570 -0.404 1.00 0.00 C ATOM 0 H LEU A 98 18.434 -1.312 1.103 1.00 0.00 H new ATOM 0 HA LEU A 98 20.496 -2.137 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.138 -1.123 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.599 -2.044 1.801 1.00 0.00 H new ATOM 0 HG LEU A 98 20.722 0.461 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 98 22.718 1.456 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 98 21.554 0.879 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 98 23.020 -0.068 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 98 22.900 0.329 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.208 -1.242 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 98 21.868 -1.069 -1.189 1.00 0.00 H new ATOM 1558 N GLU A 99 20.805 -4.528 -0.290 1.00 0.00 N ATOM 1559 CA GLU A 99 21.018 -5.958 -0.100 1.00 0.00 C ATOM 1560 C GLU A 99 22.155 -6.211 0.886 1.00 0.00 C ATOM 1561 O GLU A 99 21.877 -6.729 1.988 1.00 0.00 O ATOM 1562 CB GLU A 99 21.328 -6.631 -1.437 1.00 0.00 C ATOM 1563 CG GLU A 99 20.202 -6.517 -2.452 1.00 0.00 C ATOM 1564 CD GLU A 99 20.708 -6.240 -3.854 1.00 0.00 C ATOM 1565 OE1 GLU A 99 21.521 -5.306 -4.019 1.00 0.00 O ATOM 1566 OE2 GLU A 99 20.289 -6.955 -4.789 1.00 0.00 O ATOM 1567 OXT GLU A 99 23.314 -5.890 0.547 1.00 0.00 O ATOM 0 H GLU A 99 21.115 -4.173 -1.194 1.00 0.00 H new ATOM 0 HA GLU A 99 20.103 -6.386 0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 99 22.231 -6.187 -1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 99 21.543 -7.685 -1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.624 -7.441 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.524 -5.718 -2.150 1.00 0.00 H new TER 1574 GLU A 99 HETATM 1575 CA CA A 100 2.103 4.836 7.075 1.00 0.00 CA