USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=12 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 Single : A 1 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 146:sc= -0.0167 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -3.29! C(o=-3.3!,f=-6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -150:sc= -0.142 USER MOD Single : A 26 SER OG : rot -23:sc= 0.353 USER MOD Single : A 31 HIS : no HD1:sc= -5.5! K(o=-5.5!,f=-3.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -4.16! K(o=-4.2!,f=-0.21) USER MOD Single : A 38 MET CE :methyl 174:sc= -1.76 (180deg=-1.95) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 47 SER OG : rot 39:sc= 0.291 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -131:sc= 0.558 (180deg=-0.243) USER MOD Single : A 55 ASN : amide:sc= -0.31 K(o=-0.31,f=-1.9!) USER MOD Single : A 64 ASN : amide:sc= -0.0796 X(o=-0.08,f=-0.08) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.653 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -2.78 K(o=-2.8,f=-4.8!) USER MOD Single : A 90 ASN : amide:sc= 0.252 K(o=0.25,f=-0.7) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 1.928 0.907 0.450 1.00 52.55 N ATOM 2 CA TYR A 1 2.737 0.918 -0.763 1.00 50.13 C ATOM 3 C TYR A 1 3.694 -0.269 -0.790 1.00 24.31 C ATOM 4 O TYR A 1 4.319 -0.599 0.218 1.00 71.02 O ATOM 5 CB TYR A 1 3.525 2.225 -0.864 1.00 51.34 C ATOM 6 CG TYR A 1 4.093 2.485 -2.241 1.00 61.13 C ATOM 7 CD1 TYR A 1 3.266 2.540 -3.357 1.00 25.14 C ATOM 8 CD2 TYR A 1 5.457 2.676 -2.427 1.00 12.44 C ATOM 9 CE1 TYR A 1 3.781 2.776 -4.616 1.00 45.14 C ATOM 10 CE2 TYR A 1 5.980 2.915 -3.683 1.00 25.34 C ATOM 11 CZ TYR A 1 5.139 2.963 -4.774 1.00 51.13 C ATOM 12 OH TYR A 1 5.656 3.200 -6.028 1.00 14.05 O ATOM 0 H1 TYR A 1 1.285 1.724 0.446 1.00 52.55 H new ATOM 0 H2 TYR A 1 1.372 0.029 0.489 1.00 52.55 H new ATOM 0 H3 TYR A 1 2.549 0.960 1.282 1.00 52.55 H new ATOM 0 HA TYR A 1 2.065 0.840 -1.618 1.00 50.13 H new ATOM 0 HB2 TYR A 1 2.874 3.054 -0.586 1.00 51.34 H new ATOM 0 HB3 TYR A 1 4.341 2.204 -0.142 1.00 51.34 H new ATOM 0 HD1 TYR A 1 2.202 2.396 -3.237 1.00 25.14 H new ATOM 0 HD2 TYR A 1 6.119 2.637 -1.575 1.00 12.44 H new ATOM 0 HE1 TYR A 1 3.124 2.814 -5.473 1.00 45.14 H new ATOM 0 HE2 TYR A 1 7.042 3.063 -3.809 1.00 25.34 H new ATOM 0 HH TYR A 1 6.420 3.809 -5.957 1.00 14.05 H new ATOM 22 N GLU A 2 3.804 -0.907 -1.951 1.00 41.13 N ATOM 23 CA GLU A 2 4.685 -2.058 -2.110 1.00 1.02 C ATOM 24 C GLU A 2 5.371 -2.035 -3.473 1.00 55.20 C ATOM 25 O GLU A 2 4.994 -2.775 -4.381 1.00 40.34 O ATOM 26 CB GLU A 2 3.896 -3.359 -1.945 1.00 41.34 C ATOM 27 CG GLU A 2 3.378 -3.582 -0.535 1.00 14.12 C ATOM 28 CD GLU A 2 4.470 -4.005 0.428 1.00 11.22 C ATOM 29 OE1 GLU A 2 5.240 -4.926 0.083 1.00 0.33 O ATOM 30 OE2 GLU A 2 4.555 -3.416 1.526 1.00 53.21 O ATOM 0 H GLU A 2 3.294 -0.646 -2.795 1.00 41.13 H new ATOM 0 HA GLU A 2 5.451 -2.006 -1.337 1.00 1.02 H new ATOM 0 HB2 GLU A 2 3.053 -3.353 -2.636 1.00 41.34 H new ATOM 0 HB3 GLU A 2 4.532 -4.198 -2.226 1.00 41.34 H new ATOM 0 HG2 GLU A 2 2.915 -2.664 -0.173 1.00 14.12 H new ATOM 0 HG3 GLU A 2 2.600 -4.345 -0.554 1.00 14.12 H new ATOM 37 N ALA A 3 6.379 -1.179 -3.607 1.00 75.24 N ATOM 38 CA ALA A 3 7.118 -1.060 -4.858 1.00 53.11 C ATOM 39 C ALA A 3 6.197 -0.649 -6.003 1.00 25.24 C ATOM 40 O ALA A 3 5.050 -1.087 -6.096 1.00 44.53 O ATOM 41 CB ALA A 3 7.817 -2.371 -5.185 1.00 31.10 C ATOM 0 H ALA A 3 6.702 -0.558 -2.865 1.00 75.24 H new ATOM 0 HA ALA A 3 7.870 -0.281 -4.734 1.00 53.11 H new ATOM 0 HB1 ALA A 3 8.365 -2.267 -6.122 1.00 31.10 H new ATOM 0 HB2 ALA A 3 8.512 -2.622 -4.384 1.00 31.10 H new ATOM 0 HB3 ALA A 3 7.076 -3.164 -5.284 1.00 31.10 H new ATOM 47 N PRO A 4 6.709 0.212 -6.895 1.00 23.14 N ATOM 48 CA PRO A 4 5.950 0.701 -8.049 1.00 74.41 C ATOM 49 C PRO A 4 5.712 -0.388 -9.090 1.00 20.42 C ATOM 50 O PRO A 4 6.340 -1.447 -9.070 1.00 63.02 O ATOM 51 CB PRO A 4 6.845 1.802 -8.622 1.00 73.03 C ATOM 52 CG PRO A 4 8.222 1.436 -8.187 1.00 14.13 C ATOM 53 CD PRO A 4 8.069 0.774 -6.845 1.00 43.31 C ATOM 0 HA PRO A 4 4.955 1.046 -7.766 1.00 74.41 H new ATOM 0 HB2 PRO A 4 6.772 1.846 -9.709 1.00 73.03 H new ATOM 0 HB3 PRO A 4 6.558 2.783 -8.243 1.00 73.03 H new ATOM 0 HG2 PRO A 4 8.692 0.762 -8.904 1.00 14.13 H new ATOM 0 HG3 PRO A 4 8.857 2.319 -8.117 1.00 14.13 H new ATOM 0 HD2 PRO A 4 8.819 -0.002 -6.692 1.00 43.31 H new ATOM 0 HD3 PRO A 4 8.179 1.489 -6.029 1.00 43.31 H new ATOM 61 N PRO A 5 4.784 -0.125 -10.022 1.00 21.02 N ATOM 62 CA PRO A 5 4.443 -1.071 -11.089 1.00 3.41 C ATOM 63 C PRO A 5 5.566 -1.222 -12.109 1.00 62.43 C ATOM 64 O PRO A 5 6.136 -0.234 -12.571 1.00 21.14 O ATOM 65 CB PRO A 5 3.210 -0.440 -11.741 1.00 20.43 C ATOM 66 CG PRO A 5 3.331 1.016 -11.450 1.00 75.24 C ATOM 67 CD PRO A 5 3.996 1.116 -10.106 1.00 5.31 C ATOM 0 HA PRO A 5 4.271 -2.076 -10.704 1.00 3.41 H new ATOM 0 HB2 PRO A 5 3.189 -0.629 -12.814 1.00 20.43 H new ATOM 0 HB3 PRO A 5 2.289 -0.851 -11.327 1.00 20.43 H new ATOM 0 HG2 PRO A 5 3.921 1.519 -12.216 1.00 75.24 H new ATOM 0 HG3 PRO A 5 2.352 1.494 -11.437 1.00 75.24 H new ATOM 0 HD2 PRO A 5 4.630 2.000 -10.036 1.00 5.31 H new ATOM 0 HD3 PRO A 5 3.265 1.183 -9.300 1.00 5.31 H new ATOM 75 N ALA A 6 5.879 -2.466 -12.458 1.00 32.23 N ATOM 76 CA ALA A 6 6.932 -2.747 -13.426 1.00 11.43 C ATOM 77 C ALA A 6 6.420 -2.595 -14.854 1.00 14.41 C ATOM 78 O ALA A 6 5.269 -2.918 -15.150 1.00 13.10 O ATOM 79 CB ALA A 6 7.489 -4.146 -13.209 1.00 1.22 C ATOM 0 H ALA A 6 5.418 -3.295 -12.084 1.00 32.23 H new ATOM 0 HA ALA A 6 7.732 -2.022 -13.276 1.00 11.43 H new ATOM 0 HB1 ALA A 6 8.274 -4.342 -13.939 1.00 1.22 H new ATOM 0 HB2 ALA A 6 7.902 -4.221 -12.203 1.00 1.22 H new ATOM 0 HB3 ALA A 6 6.691 -4.878 -13.330 1.00 1.22 H new ATOM 85 N THR A 7 7.281 -2.100 -15.737 1.00 50.33 N ATOM 86 CA THR A 7 6.915 -1.903 -17.134 1.00 50.12 C ATOM 87 C THR A 7 7.439 -3.039 -18.005 1.00 44.32 C ATOM 88 O THR A 7 8.436 -2.883 -18.712 1.00 25.53 O ATOM 89 CB THR A 7 7.456 -0.565 -17.674 1.00 20.53 C ATOM 90 OG1 THR A 7 7.033 0.511 -16.829 1.00 73.32 O ATOM 91 CG2 THR A 7 6.974 -0.321 -19.096 1.00 11.24 C ATOM 0 H THR A 7 8.237 -1.828 -15.509 1.00 50.33 H new ATOM 0 HA THR A 7 5.826 -1.889 -17.176 1.00 50.12 H new ATOM 0 HB THR A 7 8.545 -0.614 -17.680 1.00 20.53 H new ATOM 0 HG1 THR A 7 7.382 1.358 -17.178 1.00 73.32 H new ATOM 0 HG21 THR A 7 7.369 0.629 -19.456 1.00 11.24 H new ATOM 0 HG22 THR A 7 7.323 -1.127 -19.742 1.00 11.24 H new ATOM 0 HG23 THR A 7 5.885 -0.290 -19.111 1.00 11.24 H new ATOM 99 N LEU A 8 6.762 -4.180 -17.951 1.00 64.34 N ATOM 100 CA LEU A 8 7.160 -5.343 -18.737 1.00 30.51 C ATOM 101 C LEU A 8 6.835 -5.141 -20.213 1.00 52.53 C ATOM 102 O LEU A 8 5.669 -5.136 -20.606 1.00 72.34 O ATOM 103 CB LEU A 8 6.458 -6.599 -18.216 1.00 64.13 C ATOM 104 CG LEU A 8 6.603 -6.877 -16.720 1.00 24.42 C ATOM 105 CD1 LEU A 8 5.284 -6.639 -16.002 1.00 71.12 C ATOM 106 CD2 LEU A 8 7.090 -8.300 -16.487 1.00 22.24 C ATOM 0 H LEU A 8 5.935 -4.325 -17.372 1.00 64.34 H new ATOM 0 HA LEU A 8 8.238 -5.467 -18.636 1.00 30.51 H new ATOM 0 HB2 LEU A 8 5.396 -6.521 -18.449 1.00 64.13 H new ATOM 0 HB3 LEU A 8 6.842 -7.459 -18.764 1.00 64.13 H new ATOM 0 HG LEU A 8 7.344 -6.189 -16.312 1.00 24.42 H new ATOM 0 HD11 LEU A 8 5.407 -6.842 -14.938 1.00 71.12 H new ATOM 0 HD12 LEU A 8 4.976 -5.603 -16.140 1.00 71.12 H new ATOM 0 HD13 LEU A 8 4.522 -7.302 -16.412 1.00 71.12 H new ATOM 0 HD21 LEU A 8 7.188 -8.480 -15.416 1.00 22.24 H new ATOM 0 HD22 LEU A 8 6.373 -9.004 -16.910 1.00 22.24 H new ATOM 0 HD23 LEU A 8 8.059 -8.436 -16.968 1.00 22.24 H new ATOM 118 N GLU A 9 7.874 -4.975 -21.026 1.00 0.24 N ATOM 119 CA GLU A 9 7.698 -4.773 -22.459 1.00 33.00 C ATOM 120 C GLU A 9 7.597 -6.110 -23.188 1.00 42.33 C ATOM 121 O GLU A 9 7.536 -7.167 -22.562 1.00 74.32 O ATOM 122 CB GLU A 9 8.859 -3.955 -23.028 1.00 30.10 C ATOM 123 CG GLU A 9 8.883 -2.515 -22.545 1.00 4.24 C ATOM 124 CD GLU A 9 8.189 -1.566 -23.502 1.00 73.32 C ATOM 125 OE1 GLU A 9 7.199 -1.984 -24.138 1.00 73.03 O ATOM 126 OE2 GLU A 9 8.636 -0.405 -23.615 1.00 34.50 O ATOM 0 H GLU A 9 8.846 -4.976 -20.716 1.00 0.24 H new ATOM 0 HA GLU A 9 6.768 -4.225 -22.611 1.00 33.00 H new ATOM 0 HB2 GLU A 9 9.799 -4.436 -22.757 1.00 30.10 H new ATOM 0 HB3 GLU A 9 8.799 -3.963 -24.116 1.00 30.10 H new ATOM 0 HG2 GLU A 9 8.403 -2.455 -21.568 1.00 4.24 H new ATOM 0 HG3 GLU A 9 9.917 -2.198 -22.411 1.00 4.24 H new ATOM 133 N ALA A 10 7.581 -6.053 -24.516 1.00 13.20 N ATOM 134 CA ALA A 10 7.489 -7.258 -25.331 1.00 42.31 C ATOM 135 C ALA A 10 8.556 -7.266 -26.421 1.00 2.15 C ATOM 136 O ALA A 10 8.280 -6.939 -27.575 1.00 71.12 O ATOM 137 CB ALA A 10 6.103 -7.374 -25.947 1.00 33.43 C ATOM 0 H ALA A 10 7.631 -5.185 -25.050 1.00 13.20 H new ATOM 0 HA ALA A 10 7.660 -8.118 -24.684 1.00 42.31 H new ATOM 0 HB1 ALA A 10 6.049 -8.278 -26.553 1.00 33.43 H new ATOM 0 HB2 ALA A 10 5.356 -7.422 -25.155 1.00 33.43 H new ATOM 0 HB3 ALA A 10 5.910 -6.504 -26.575 1.00 33.43 H new ATOM 143 N ILE A 11 9.775 -7.640 -26.046 1.00 33.22 N ATOM 144 CA ILE A 11 10.882 -7.691 -26.992 1.00 5.21 C ATOM 145 C ILE A 11 10.705 -8.834 -27.985 1.00 62.13 C ATOM 146 O ILE A 11 9.802 -9.659 -27.844 1.00 22.40 O ATOM 147 CB ILE A 11 12.232 -7.858 -26.270 1.00 4.14 C ATOM 148 CG1 ILE A 11 12.332 -6.881 -25.097 1.00 4.34 C ATOM 149 CG2 ILE A 11 13.383 -7.646 -27.242 1.00 61.21 C ATOM 150 CD1 ILE A 11 12.827 -5.508 -25.494 1.00 42.34 C ATOM 0 H ILE A 11 10.020 -7.912 -25.094 1.00 33.22 H new ATOM 0 HA ILE A 11 10.881 -6.743 -27.530 1.00 5.21 H new ATOM 0 HB ILE A 11 12.295 -8.874 -25.879 1.00 4.14 H new ATOM 0 HG12 ILE A 11 11.351 -6.784 -24.631 1.00 4.34 H new ATOM 0 HG13 ILE A 11 13.003 -7.297 -24.345 1.00 4.34 H new ATOM 0 HG21 ILE A 11 14.330 -7.767 -26.716 1.00 61.21 H new ATOM 0 HG22 ILE A 11 13.319 -8.378 -28.047 1.00 61.21 H new ATOM 0 HG23 ILE A 11 13.326 -6.641 -27.660 1.00 61.21 H new ATOM 0 HD11 ILE A 11 12.873 -4.869 -24.612 1.00 42.34 H new ATOM 0 HD12 ILE A 11 13.821 -5.592 -25.933 1.00 42.34 H new ATOM 0 HD13 ILE A 11 12.144 -5.072 -26.223 1.00 42.34 H new ATOM 162 N HIS A 12 11.574 -8.878 -28.990 1.00 43.21 N ATOM 163 CA HIS A 12 11.516 -9.922 -30.007 1.00 34.12 C ATOM 164 C HIS A 12 11.534 -11.306 -29.365 1.00 74.45 C ATOM 165 O HIS A 12 11.738 -11.456 -28.161 1.00 32.44 O ATOM 166 CB HIS A 12 12.687 -9.783 -30.979 1.00 40.35 C ATOM 167 CG HIS A 12 12.278 -9.337 -32.350 1.00 0.35 C ATOM 168 ND1 HIS A 12 11.021 -9.560 -32.870 1.00 32.32 N ATOM 169 CD2 HIS A 12 12.968 -8.675 -33.308 1.00 12.33 C ATOM 170 CE1 HIS A 12 10.955 -9.057 -34.089 1.00 44.24 C ATOM 171 NE2 HIS A 12 12.124 -8.513 -34.379 1.00 32.21 N ATOM 0 H HIS A 12 12.327 -8.203 -29.122 1.00 43.21 H new ATOM 0 HA HIS A 12 10.582 -9.807 -30.557 1.00 34.12 H new ATOM 0 HB2 HIS A 12 13.403 -9.069 -30.572 1.00 40.35 H new ATOM 0 HB3 HIS A 12 13.201 -10.741 -31.056 1.00 40.35 H new ATOM 0 HD2 HIS A 12 13.992 -8.337 -33.242 1.00 12.33 H new ATOM 0 HE1 HIS A 12 10.093 -9.085 -34.738 1.00 44.24 H new ATOM 0 HE2 HIS A 12 12.361 -8.048 -35.256 1.00 32.21 H new ATOM 179 N PRO A 13 11.314 -12.343 -30.188 1.00 21.13 N ATOM 180 CA PRO A 13 11.300 -13.733 -29.723 1.00 32.14 C ATOM 181 C PRO A 13 12.686 -14.223 -29.316 1.00 54.32 C ATOM 182 O PRO A 13 12.940 -15.426 -29.264 1.00 31.22 O ATOM 183 CB PRO A 13 10.794 -14.510 -30.941 1.00 45.31 C ATOM 184 CG PRO A 13 11.161 -13.662 -32.110 1.00 2.54 C ATOM 185 CD PRO A 13 11.063 -12.238 -31.635 1.00 64.10 C ATOM 0 HA PRO A 13 10.682 -13.859 -28.834 1.00 32.14 H new ATOM 0 HB2 PRO A 13 11.259 -15.494 -31.004 1.00 45.31 H new ATOM 0 HB3 PRO A 13 9.717 -14.669 -30.890 1.00 45.31 H new ATOM 0 HG2 PRO A 13 12.169 -13.890 -32.456 1.00 2.54 H new ATOM 0 HG3 PRO A 13 10.488 -13.841 -32.949 1.00 2.54 H new ATOM 0 HD2 PRO A 13 11.798 -11.599 -32.125 1.00 64.10 H new ATOM 0 HD3 PRO A 13 10.082 -11.812 -31.843 1.00 64.10 H new ATOM 193 N LYS A 14 13.579 -13.282 -29.029 1.00 23.44 N ATOM 194 CA LYS A 14 14.940 -13.617 -28.625 1.00 32.23 C ATOM 195 C LYS A 14 15.300 -12.935 -27.309 1.00 30.23 C ATOM 196 O LYS A 14 16.475 -12.732 -27.005 1.00 53.20 O ATOM 197 CB LYS A 14 15.933 -13.205 -29.714 1.00 10.04 C ATOM 198 CG LYS A 14 16.010 -11.704 -29.930 1.00 54.42 C ATOM 199 CD LYS A 14 17.128 -11.335 -30.891 1.00 32.13 C ATOM 200 CE LYS A 14 16.979 -9.909 -31.399 1.00 30.23 C ATOM 201 NZ LYS A 14 17.495 -9.758 -32.787 1.00 62.44 N ATOM 0 H LYS A 14 13.385 -12.281 -29.069 1.00 23.44 H new ATOM 0 HA LYS A 14 14.995 -14.696 -28.481 1.00 32.23 H new ATOM 0 HB2 LYS A 14 16.923 -13.577 -29.451 1.00 10.04 H new ATOM 0 HB3 LYS A 14 15.651 -13.685 -30.651 1.00 10.04 H new ATOM 0 HG2 LYS A 14 15.059 -11.343 -30.321 1.00 54.42 H new ATOM 0 HG3 LYS A 14 16.172 -11.206 -28.974 1.00 54.42 H new ATOM 0 HD2 LYS A 14 18.090 -11.445 -30.391 1.00 32.13 H new ATOM 0 HD3 LYS A 14 17.126 -12.025 -31.735 1.00 32.13 H new ATOM 0 HE2 LYS A 14 15.928 -9.621 -31.369 1.00 30.23 H new ATOM 0 HE3 LYS A 14 17.515 -9.230 -30.736 1.00 30.23 H new ATOM 0 HZ1 LYS A 14 17.375 -8.772 -33.097 1.00 62.44 H new ATOM 0 HZ2 LYS A 14 18.504 -10.009 -32.811 1.00 62.44 H new ATOM 0 HZ3 LYS A 14 16.967 -10.387 -33.424 1.00 62.44 H new ATOM 215 N GLY A 15 14.281 -12.585 -26.530 1.00 35.40 N ATOM 216 CA GLY A 15 14.511 -11.932 -25.255 1.00 42.51 C ATOM 217 C GLY A 15 13.337 -11.077 -24.821 1.00 31.01 C ATOM 218 O GLY A 15 12.314 -11.020 -25.505 1.00 45.44 O ATOM 0 H GLY A 15 13.300 -12.742 -26.760 1.00 35.40 H new ATOM 0 HA2 GLY A 15 14.707 -12.687 -24.494 1.00 42.51 H new ATOM 0 HA3 GLY A 15 15.403 -11.310 -25.325 1.00 42.51 H new ATOM 222 N LEU A 16 13.481 -10.412 -23.680 1.00 20.42 N ATOM 223 CA LEU A 16 12.423 -9.557 -23.153 1.00 73.44 C ATOM 224 C LEU A 16 13.007 -8.400 -22.351 1.00 12.55 C ATOM 225 O LEU A 16 14.157 -8.452 -21.914 1.00 14.22 O ATOM 226 CB LEU A 16 11.471 -10.372 -22.276 1.00 73.32 C ATOM 227 CG LEU A 16 10.195 -9.659 -21.828 1.00 54.00 C ATOM 228 CD1 LEU A 16 9.474 -9.053 -23.022 1.00 44.24 C ATOM 229 CD2 LEU A 16 9.280 -10.620 -21.083 1.00 31.21 C ATOM 0 H LEU A 16 14.320 -10.448 -23.102 1.00 20.42 H new ATOM 0 HA LEU A 16 11.868 -9.146 -23.996 1.00 73.44 H new ATOM 0 HB2 LEU A 16 11.188 -11.272 -22.821 1.00 73.32 H new ATOM 0 HB3 LEU A 16 12.014 -10.695 -21.388 1.00 73.32 H new ATOM 0 HG LEU A 16 10.473 -8.853 -21.149 1.00 54.00 H new ATOM 0 HD11 LEU A 16 8.568 -8.550 -22.683 1.00 44.24 H new ATOM 0 HD12 LEU A 16 10.127 -8.332 -23.514 1.00 44.24 H new ATOM 0 HD13 LEU A 16 9.209 -9.842 -23.726 1.00 44.24 H new ATOM 0 HD21 LEU A 16 8.377 -10.095 -20.772 1.00 31.21 H new ATOM 0 HD22 LEU A 16 9.011 -11.448 -21.739 1.00 31.21 H new ATOM 0 HD23 LEU A 16 9.796 -11.006 -20.204 1.00 31.21 H new ATOM 241 N ARG A 17 12.206 -7.356 -22.158 1.00 61.31 N ATOM 242 CA ARG A 17 12.643 -6.186 -21.407 1.00 24.03 C ATOM 243 C ARG A 17 11.669 -5.871 -20.275 1.00 60.23 C ATOM 244 O ARG A 17 10.453 -5.954 -20.448 1.00 51.31 O ATOM 245 CB ARG A 17 12.772 -4.977 -22.335 1.00 2.44 C ATOM 246 CG ARG A 17 13.166 -3.697 -21.616 1.00 5.33 C ATOM 247 CD ARG A 17 12.789 -2.465 -22.424 1.00 23.11 C ATOM 248 NE ARG A 17 13.811 -1.425 -22.345 1.00 1.52 N ATOM 249 CZ ARG A 17 15.050 -1.575 -22.800 1.00 52.21 C ATOM 250 NH1 ARG A 17 15.418 -2.717 -23.364 1.00 43.44 N ATOM 251 NH2 ARG A 17 15.923 -0.581 -22.692 1.00 31.41 N ATOM 0 H ARG A 17 11.251 -7.297 -22.512 1.00 61.31 H new ATOM 0 HA ARG A 17 13.618 -6.408 -20.973 1.00 24.03 H new ATOM 0 HB2 ARG A 17 13.515 -5.196 -23.102 1.00 2.44 H new ATOM 0 HB3 ARG A 17 11.822 -4.819 -22.846 1.00 2.44 H new ATOM 0 HG2 ARG A 17 12.676 -3.659 -20.643 1.00 5.33 H new ATOM 0 HG3 ARG A 17 14.240 -3.698 -21.432 1.00 5.33 H new ATOM 0 HD2 ARG A 17 12.639 -2.747 -23.466 1.00 23.11 H new ATOM 0 HD3 ARG A 17 11.840 -2.069 -22.061 1.00 23.11 H new ATOM 0 HE ARG A 17 13.560 -0.534 -21.917 1.00 1.52 H new ATOM 0 HH11 ARG A 17 14.749 -3.482 -23.449 1.00 43.44 H new ATOM 0 HH12 ARG A 17 16.370 -2.830 -23.713 1.00 43.44 H new ATOM 0 HH21 ARG A 17 15.643 0.299 -22.259 1.00 31.41 H new ATOM 0 HH22 ARG A 17 16.874 -0.697 -23.042 1.00 31.41 H new ATOM 265 N VAL A 18 12.212 -5.510 -19.117 1.00 30.42 N ATOM 266 CA VAL A 18 11.391 -5.183 -17.957 1.00 44.41 C ATOM 267 C VAL A 18 12.069 -4.134 -17.083 1.00 3.40 C ATOM 268 O VAL A 18 13.006 -4.438 -16.344 1.00 52.52 O ATOM 269 CB VAL A 18 11.098 -6.432 -17.106 1.00 72.30 C ATOM 270 CG1 VAL A 18 10.444 -6.041 -15.790 1.00 2.54 C ATOM 271 CG2 VAL A 18 10.221 -7.407 -17.877 1.00 33.32 C ATOM 0 H VAL A 18 13.217 -5.437 -18.957 1.00 30.42 H new ATOM 0 HA VAL A 18 10.451 -4.783 -18.337 1.00 44.41 H new ATOM 0 HB VAL A 18 12.043 -6.927 -16.881 1.00 72.30 H new ATOM 0 HG11 VAL A 18 10.245 -6.937 -15.202 1.00 2.54 H new ATOM 0 HG12 VAL A 18 11.111 -5.383 -15.233 1.00 2.54 H new ATOM 0 HG13 VAL A 18 9.507 -5.522 -15.990 1.00 2.54 H new ATOM 0 HG21 VAL A 18 10.024 -8.284 -17.261 1.00 33.32 H new ATOM 0 HG22 VAL A 18 9.278 -6.924 -18.133 1.00 33.32 H new ATOM 0 HG23 VAL A 18 10.732 -7.712 -18.790 1.00 33.32 H new ATOM 281 N SER A 19 11.590 -2.897 -17.172 1.00 35.21 N ATOM 282 CA SER A 19 12.151 -1.801 -16.391 1.00 64.23 C ATOM 283 C SER A 19 11.137 -1.280 -15.379 1.00 14.54 C ATOM 284 O SER A 19 9.934 -1.506 -15.514 1.00 61.20 O ATOM 285 CB SER A 19 12.597 -0.666 -17.315 1.00 5.24 C ATOM 286 OG SER A 19 13.089 0.435 -16.569 1.00 34.30 O ATOM 0 H SER A 19 10.814 -2.629 -17.778 1.00 35.21 H new ATOM 0 HA SER A 19 13.017 -2.180 -15.848 1.00 64.23 H new ATOM 0 HB2 SER A 19 13.372 -1.027 -17.991 1.00 5.24 H new ATOM 0 HB3 SER A 19 11.759 -0.345 -17.933 1.00 5.24 H new ATOM 0 HG SER A 19 12.922 1.265 -17.062 1.00 34.30 H new ATOM 292 N VAL A 20 11.630 -0.579 -14.363 1.00 4.15 N ATOM 293 CA VAL A 20 10.768 -0.023 -13.326 1.00 62.34 C ATOM 294 C VAL A 20 11.247 1.358 -12.895 1.00 42.44 C ATOM 295 O VAL A 20 12.433 1.682 -12.967 1.00 20.23 O ATOM 296 CB VAL A 20 10.710 -0.943 -12.092 1.00 1.41 C ATOM 297 CG1 VAL A 20 10.218 -2.328 -12.481 1.00 23.53 C ATOM 298 CG2 VAL A 20 12.073 -1.020 -11.421 1.00 64.24 C ATOM 0 H VAL A 20 12.623 -0.382 -14.236 1.00 4.15 H new ATOM 0 HA VAL A 20 9.770 0.060 -13.755 1.00 62.34 H new ATOM 0 HB VAL A 20 10.003 -0.521 -11.378 1.00 1.41 H new ATOM 0 HG11 VAL A 20 10.184 -2.964 -11.596 1.00 23.53 H new ATOM 0 HG12 VAL A 20 9.220 -2.252 -12.912 1.00 23.53 H new ATOM 0 HG13 VAL A 20 10.897 -2.763 -13.214 1.00 23.53 H new ATOM 0 HG21 VAL A 20 12.014 -1.674 -10.551 1.00 64.24 H new ATOM 0 HG22 VAL A 20 12.803 -1.418 -12.125 1.00 64.24 H new ATOM 0 HG23 VAL A 20 12.380 -0.023 -11.105 1.00 64.24 H new ATOM 308 N PRO A 21 10.305 2.195 -12.436 1.00 75.23 N ATOM 309 CA PRO A 21 10.607 3.556 -11.983 1.00 75.12 C ATOM 310 C PRO A 21 11.395 3.571 -10.678 1.00 35.11 C ATOM 311 O PRO A 21 10.947 3.031 -9.666 1.00 4.24 O ATOM 312 CB PRO A 21 9.222 4.177 -11.780 1.00 5.24 C ATOM 313 CG PRO A 21 8.323 3.020 -11.516 1.00 33.43 C ATOM 314 CD PRO A 21 8.871 1.876 -12.324 1.00 3.15 C ATOM 0 HA PRO A 21 11.230 4.095 -12.697 1.00 75.12 H new ATOM 0 HB2 PRO A 21 9.221 4.878 -10.945 1.00 5.24 H new ATOM 0 HB3 PRO A 21 8.904 4.732 -12.662 1.00 5.24 H new ATOM 0 HG2 PRO A 21 8.305 2.774 -10.454 1.00 33.43 H new ATOM 0 HG3 PRO A 21 7.298 3.248 -11.808 1.00 33.43 H new ATOM 0 HD2 PRO A 21 8.710 0.919 -11.827 1.00 3.15 H new ATOM 0 HD3 PRO A 21 8.396 1.811 -13.303 1.00 3.15 H new ATOM 322 N ASP A 22 12.568 4.192 -10.708 1.00 43.10 N ATOM 323 CA ASP A 22 13.418 4.279 -9.526 1.00 62.31 C ATOM 324 C ASP A 22 13.083 5.521 -8.706 1.00 23.52 C ATOM 325 O ASP A 22 13.391 6.642 -9.108 1.00 13.24 O ATOM 326 CB ASP A 22 14.892 4.303 -9.932 1.00 65.14 C ATOM 327 CG ASP A 22 15.818 4.470 -8.743 1.00 61.34 C ATOM 328 OD1 ASP A 22 15.576 3.817 -7.706 1.00 52.22 O ATOM 329 OD2 ASP A 22 16.785 5.252 -8.850 1.00 43.12 O ATOM 0 H ASP A 22 12.953 4.643 -11.538 1.00 43.10 H new ATOM 0 HA ASP A 22 13.233 3.399 -8.911 1.00 62.31 H new ATOM 0 HB2 ASP A 22 15.137 3.377 -10.453 1.00 65.14 H new ATOM 0 HB3 ASP A 22 15.059 5.118 -10.636 1.00 65.14 H new ATOM 334 N GLU A 23 12.451 5.311 -7.555 1.00 52.04 N ATOM 335 CA GLU A 23 12.073 6.414 -6.680 1.00 52.53 C ATOM 336 C GLU A 23 13.122 6.631 -5.594 1.00 2.22 C ATOM 337 O GLU A 23 13.019 7.558 -4.792 1.00 13.24 O ATOM 338 CB GLU A 23 10.709 6.144 -6.041 1.00 63.41 C ATOM 339 CG GLU A 23 9.538 6.643 -6.870 1.00 42.14 C ATOM 340 CD GLU A 23 8.238 5.945 -6.523 1.00 14.41 C ATOM 341 OE1 GLU A 23 8.001 4.837 -7.048 1.00 21.14 O ATOM 342 OE2 GLU A 23 7.456 6.507 -5.727 1.00 44.21 O ATOM 0 H GLU A 23 12.190 4.388 -7.208 1.00 52.04 H new ATOM 0 HA GLU A 23 12.009 7.318 -7.285 1.00 52.53 H new ATOM 0 HB2 GLU A 23 10.599 5.072 -5.881 1.00 63.41 H new ATOM 0 HB3 GLU A 23 10.677 6.618 -5.060 1.00 63.41 H new ATOM 0 HG2 GLU A 23 9.422 7.716 -6.718 1.00 42.14 H new ATOM 0 HG3 GLU A 23 9.756 6.492 -7.927 1.00 42.14 H new ATOM 349 N GLY A 24 14.133 5.767 -5.574 1.00 51.45 N ATOM 350 CA GLY A 24 15.186 5.880 -4.583 1.00 3.33 C ATOM 351 C GLY A 24 15.676 4.529 -4.100 1.00 53.23 C ATOM 352 O GLY A 24 16.094 4.386 -2.951 1.00 51.32 O ATOM 0 H GLY A 24 14.241 4.991 -6.227 1.00 51.45 H new ATOM 0 HA2 GLY A 24 16.022 6.436 -5.008 1.00 3.33 H new ATOM 0 HA3 GLY A 24 14.820 6.455 -3.733 1.00 3.33 H new ATOM 356 N PHE A 25 15.622 3.534 -4.979 1.00 45.04 N ATOM 357 CA PHE A 25 16.061 2.186 -4.636 1.00 44.41 C ATOM 358 C PHE A 25 17.581 2.072 -4.717 1.00 52.14 C ATOM 359 O PHE A 25 18.249 2.933 -5.289 1.00 42.23 O ATOM 360 CB PHE A 25 15.411 1.162 -5.568 1.00 50.34 C ATOM 361 CG PHE A 25 13.910 1.192 -5.537 1.00 74.31 C ATOM 362 CD1 PHE A 25 13.215 0.659 -4.463 1.00 4.34 C ATOM 363 CD2 PHE A 25 13.193 1.752 -6.582 1.00 15.23 C ATOM 364 CE1 PHE A 25 11.834 0.684 -4.432 1.00 11.42 C ATOM 365 CE2 PHE A 25 11.811 1.781 -6.556 1.00 72.42 C ATOM 366 CZ PHE A 25 11.131 1.247 -5.479 1.00 72.12 C ATOM 0 H PHE A 25 15.279 3.635 -5.934 1.00 45.04 H new ATOM 0 HA PHE A 25 15.753 1.980 -3.611 1.00 44.41 H new ATOM 0 HB2 PHE A 25 15.749 1.345 -6.588 1.00 50.34 H new ATOM 0 HB3 PHE A 25 15.752 0.164 -5.293 1.00 50.34 H new ATOM 0 HD1 PHE A 25 13.759 0.219 -3.641 1.00 4.34 H new ATOM 0 HD2 PHE A 25 13.720 2.171 -7.427 1.00 15.23 H new ATOM 0 HE1 PHE A 25 11.305 0.264 -3.590 1.00 11.42 H new ATOM 0 HE2 PHE A 25 11.264 2.221 -7.377 1.00 72.42 H new ATOM 0 HZ PHE A 25 10.051 1.270 -5.456 1.00 72.12 H new ATOM 376 N SER A 26 18.120 1.003 -4.140 1.00 74.34 N ATOM 377 CA SER A 26 19.560 0.777 -4.143 1.00 62.21 C ATOM 378 C SER A 26 19.893 -0.602 -4.706 1.00 52.41 C ATOM 379 O SER A 26 21.052 -0.906 -4.991 1.00 50.42 O ATOM 380 CB SER A 26 20.121 0.911 -2.726 1.00 64.52 C ATOM 381 OG SER A 26 21.505 0.605 -2.695 1.00 12.24 O ATOM 0 H SER A 26 17.581 0.280 -3.664 1.00 74.34 H new ATOM 0 HA SER A 26 20.020 1.531 -4.781 1.00 62.21 H new ATOM 0 HB2 SER A 26 19.961 1.926 -2.363 1.00 64.52 H new ATOM 0 HB3 SER A 26 19.582 0.243 -2.053 1.00 64.52 H new ATOM 0 HG SER A 26 21.731 0.032 -3.458 1.00 12.24 H new ATOM 387 N LEU A 27 18.868 -1.432 -4.864 1.00 22.24 N ATOM 388 CA LEU A 27 19.050 -2.780 -5.393 1.00 12.53 C ATOM 389 C LEU A 27 17.762 -3.294 -6.027 1.00 55.43 C ATOM 390 O LEU A 27 16.667 -3.054 -5.517 1.00 0.11 O ATOM 391 CB LEU A 27 19.498 -3.729 -4.281 1.00 22.35 C ATOM 392 CG LEU A 27 19.086 -5.193 -4.441 1.00 63.02 C ATOM 393 CD1 LEU A 27 17.586 -5.349 -4.250 1.00 73.40 C ATOM 394 CD2 LEU A 27 19.510 -5.720 -5.805 1.00 12.43 C ATOM 0 H LEU A 27 17.903 -1.196 -4.634 1.00 22.24 H new ATOM 0 HA LEU A 27 19.822 -2.741 -6.162 1.00 12.53 H new ATOM 0 HB2 LEU A 27 20.585 -3.684 -4.208 1.00 22.35 H new ATOM 0 HB3 LEU A 27 19.100 -3.362 -3.335 1.00 22.35 H new ATOM 0 HG LEU A 27 19.592 -5.779 -3.674 1.00 63.02 H new ATOM 0 HD11 LEU A 27 17.311 -6.397 -4.367 1.00 73.40 H new ATOM 0 HD12 LEU A 27 17.309 -5.011 -3.251 1.00 73.40 H new ATOM 0 HD13 LEU A 27 17.060 -4.751 -4.994 1.00 73.40 H new ATOM 0 HD21 LEU A 27 19.209 -6.763 -5.902 1.00 12.43 H new ATOM 0 HD22 LEU A 27 19.032 -5.130 -6.587 1.00 12.43 H new ATOM 0 HD23 LEU A 27 20.593 -5.644 -5.904 1.00 12.43 H new ATOM 406 N PHE A 28 17.900 -4.003 -7.142 1.00 75.33 N ATOM 407 CA PHE A 28 16.747 -4.553 -7.846 1.00 53.13 C ATOM 408 C PHE A 28 16.984 -6.013 -8.222 1.00 41.41 C ATOM 409 O PHE A 28 18.110 -6.414 -8.514 1.00 61.23 O ATOM 410 CB PHE A 28 16.452 -3.732 -9.104 1.00 35.34 C ATOM 411 CG PHE A 28 15.206 -4.164 -9.823 1.00 34.45 C ATOM 412 CD1 PHE A 28 14.036 -4.412 -9.122 1.00 22.20 C ATOM 413 CD2 PHE A 28 15.204 -4.323 -11.199 1.00 30.20 C ATOM 414 CE1 PHE A 28 12.888 -4.810 -9.781 1.00 13.55 C ATOM 415 CE2 PHE A 28 14.059 -4.720 -11.863 1.00 14.11 C ATOM 416 CZ PHE A 28 12.899 -4.965 -11.153 1.00 4.42 C ATOM 0 H PHE A 28 18.799 -4.210 -7.578 1.00 75.33 H new ATOM 0 HA PHE A 28 15.887 -4.504 -7.178 1.00 53.13 H new ATOM 0 HB2 PHE A 28 16.357 -2.682 -8.829 1.00 35.34 H new ATOM 0 HB3 PHE A 28 17.300 -3.808 -9.785 1.00 35.34 H new ATOM 0 HD1 PHE A 28 14.021 -4.293 -8.049 1.00 22.20 H new ATOM 0 HD2 PHE A 28 16.108 -4.135 -11.759 1.00 30.20 H new ATOM 0 HE1 PHE A 28 11.983 -5.000 -9.223 1.00 13.55 H new ATOM 0 HE2 PHE A 28 14.071 -4.839 -12.936 1.00 14.11 H new ATOM 0 HZ PHE A 28 12.003 -5.277 -11.670 1.00 4.42 H new ATOM 426 N ALA A 29 15.915 -6.802 -8.211 1.00 53.54 N ATOM 427 CA ALA A 29 16.005 -8.216 -8.552 1.00 43.22 C ATOM 428 C ALA A 29 14.896 -8.620 -9.517 1.00 61.24 C ATOM 429 O ALA A 29 13.846 -7.980 -9.576 1.00 4.50 O ATOM 430 CB ALA A 29 15.948 -9.067 -7.292 1.00 74.04 C ATOM 0 H ALA A 29 14.976 -6.486 -7.969 1.00 53.54 H new ATOM 0 HA ALA A 29 16.961 -8.385 -9.048 1.00 43.22 H new ATOM 0 HB1 ALA A 29 16.016 -10.121 -7.561 1.00 74.04 H new ATOM 0 HB2 ALA A 29 16.780 -8.805 -6.638 1.00 74.04 H new ATOM 0 HB3 ALA A 29 15.007 -8.885 -6.773 1.00 74.04 H new ATOM 436 N PHE A 30 15.136 -9.686 -10.274 1.00 32.33 N ATOM 437 CA PHE A 30 14.157 -10.175 -11.238 1.00 62.01 C ATOM 438 C PHE A 30 14.127 -11.700 -11.257 1.00 31.54 C ATOM 439 O PHE A 30 15.150 -12.350 -11.475 1.00 72.52 O ATOM 440 CB PHE A 30 14.478 -9.643 -12.636 1.00 61.04 C ATOM 441 CG PHE A 30 13.405 -9.928 -13.647 1.00 75.33 C ATOM 442 CD1 PHE A 30 13.081 -11.233 -13.984 1.00 51.22 C ATOM 443 CD2 PHE A 30 12.719 -8.892 -14.260 1.00 74.22 C ATOM 444 CE1 PHE A 30 12.094 -11.498 -14.915 1.00 10.13 C ATOM 445 CE2 PHE A 30 11.730 -9.151 -15.191 1.00 63.32 C ATOM 446 CZ PHE A 30 11.417 -10.456 -15.518 1.00 30.00 C ATOM 0 H PHE A 30 16.000 -10.227 -10.238 1.00 32.33 H new ATOM 0 HA PHE A 30 13.174 -9.814 -10.935 1.00 62.01 H new ATOM 0 HB2 PHE A 30 14.635 -8.566 -12.579 1.00 61.04 H new ATOM 0 HB3 PHE A 30 15.414 -10.084 -12.978 1.00 61.04 H new ATOM 0 HD1 PHE A 30 13.605 -12.052 -13.514 1.00 51.22 H new ATOM 0 HD2 PHE A 30 12.960 -7.870 -14.008 1.00 74.22 H new ATOM 0 HE1 PHE A 30 11.852 -12.519 -15.171 1.00 10.13 H new ATOM 0 HE2 PHE A 30 11.203 -8.334 -15.662 1.00 63.32 H new ATOM 0 HZ PHE A 30 10.644 -10.661 -16.244 1.00 30.00 H new ATOM 456 N HIS A 31 12.946 -12.266 -11.025 1.00 43.21 N ATOM 457 CA HIS A 31 12.781 -13.715 -11.015 1.00 25.10 C ATOM 458 C HIS A 31 11.351 -14.102 -11.379 1.00 42.32 C ATOM 459 O HIS A 31 10.476 -14.164 -10.517 1.00 72.31 O ATOM 460 CB HIS A 31 13.141 -14.281 -9.641 1.00 12.23 C ATOM 461 CG HIS A 31 14.598 -14.586 -9.481 1.00 64.22 C ATOM 462 ND1 HIS A 31 15.103 -15.870 -9.479 1.00 15.45 N ATOM 463 CD2 HIS A 31 15.662 -13.765 -9.320 1.00 65.31 C ATOM 464 CE1 HIS A 31 16.413 -15.825 -9.321 1.00 24.12 C ATOM 465 NE2 HIS A 31 16.778 -14.560 -9.223 1.00 4.53 N ATOM 0 H HIS A 31 12.090 -11.743 -10.842 1.00 43.21 H new ATOM 0 HA HIS A 31 13.454 -14.137 -11.761 1.00 25.10 H new ATOM 0 HB2 HIS A 31 12.841 -13.567 -8.874 1.00 12.23 H new ATOM 0 HB3 HIS A 31 12.567 -15.192 -9.471 1.00 12.23 H new ATOM 0 HD2 HIS A 31 15.638 -12.686 -9.276 1.00 65.31 H new ATOM 0 HE1 HIS A 31 17.074 -16.678 -9.279 1.00 24.12 H new ATOM 0 HE2 HIS A 31 17.734 -14.227 -9.096 1.00 4.53 H new ATOM 473 N GLY A 32 11.122 -14.360 -12.663 1.00 55.43 N ATOM 474 CA GLY A 32 9.796 -14.736 -13.119 1.00 0.22 C ATOM 475 C GLY A 32 9.836 -15.725 -14.267 1.00 4.21 C ATOM 476 O GLY A 32 10.909 -16.166 -14.679 1.00 44.22 O ATOM 0 H GLY A 32 11.831 -14.315 -13.395 1.00 55.43 H new ATOM 0 HA2 GLY A 32 9.239 -15.170 -12.289 1.00 0.22 H new ATOM 0 HA3 GLY A 32 9.256 -13.842 -13.432 1.00 0.22 H new ATOM 480 N LYS A 33 8.664 -16.076 -14.784 1.00 62.24 N ATOM 481 CA LYS A 33 8.568 -17.020 -15.892 1.00 3.03 C ATOM 482 C LYS A 33 7.576 -16.529 -16.941 1.00 12.23 C ATOM 483 O LYS A 33 7.119 -15.386 -16.891 1.00 43.23 O ATOM 484 CB LYS A 33 8.144 -18.398 -15.379 1.00 24.20 C ATOM 485 CG LYS A 33 8.850 -18.815 -14.100 1.00 43.13 C ATOM 486 CD LYS A 33 7.964 -19.697 -13.236 1.00 43.52 C ATOM 487 CE LYS A 33 7.773 -21.072 -13.856 1.00 21.32 C ATOM 488 NZ LYS A 33 8.679 -22.086 -13.247 1.00 50.53 N ATOM 0 H LYS A 33 7.767 -15.721 -14.454 1.00 62.24 H new ATOM 0 HA LYS A 33 9.551 -17.098 -16.356 1.00 3.03 H new ATOM 0 HB2 LYS A 33 7.068 -18.397 -15.206 1.00 24.20 H new ATOM 0 HB3 LYS A 33 8.342 -19.141 -16.152 1.00 24.20 H new ATOM 0 HG2 LYS A 33 9.767 -19.350 -14.347 1.00 43.13 H new ATOM 0 HG3 LYS A 33 9.140 -17.928 -13.538 1.00 43.13 H new ATOM 0 HD2 LYS A 33 8.408 -19.802 -12.246 1.00 43.52 H new ATOM 0 HD3 LYS A 33 6.994 -19.219 -13.102 1.00 43.52 H new ATOM 0 HE2 LYS A 33 6.737 -21.387 -13.729 1.00 21.32 H new ATOM 0 HE3 LYS A 33 7.959 -21.016 -14.928 1.00 21.32 H new ATOM 0 HZ1 LYS A 33 8.518 -23.010 -13.697 1.00 50.53 H new ATOM 0 HZ2 LYS A 33 9.668 -21.799 -13.391 1.00 50.53 H new ATOM 0 HZ3 LYS A 33 8.484 -22.158 -12.228 1.00 50.53 H new ATOM 502 N LEU A 34 7.245 -17.399 -17.888 1.00 75.02 N ATOM 503 CA LEU A 34 6.304 -17.054 -18.949 1.00 21.22 C ATOM 504 C LEU A 34 5.247 -18.142 -19.114 1.00 43.52 C ATOM 505 O LEU A 34 5.537 -19.329 -18.974 1.00 0.21 O ATOM 506 CB LEU A 34 7.048 -16.845 -20.269 1.00 21.11 C ATOM 507 CG LEU A 34 6.187 -16.452 -21.470 1.00 10.43 C ATOM 508 CD1 LEU A 34 6.264 -14.952 -21.713 1.00 35.40 C ATOM 509 CD2 LEU A 34 6.620 -17.218 -22.711 1.00 24.12 C ATOM 0 H LEU A 34 7.614 -18.348 -17.944 1.00 75.02 H new ATOM 0 HA LEU A 34 5.804 -16.127 -18.670 1.00 21.22 H new ATOM 0 HB2 LEU A 34 7.802 -16.072 -20.120 1.00 21.11 H new ATOM 0 HB3 LEU A 34 7.579 -17.765 -20.513 1.00 21.11 H new ATOM 0 HG LEU A 34 5.151 -16.712 -21.251 1.00 10.43 H new ATOM 0 HD11 LEU A 34 5.645 -14.690 -22.571 1.00 35.40 H new ATOM 0 HD12 LEU A 34 5.904 -14.422 -20.831 1.00 35.40 H new ATOM 0 HD13 LEU A 34 7.298 -14.668 -21.911 1.00 35.40 H new ATOM 0 HD21 LEU A 34 5.996 -16.925 -23.555 1.00 24.12 H new ATOM 0 HD22 LEU A 34 7.662 -16.990 -22.934 1.00 24.12 H new ATOM 0 HD23 LEU A 34 6.512 -18.288 -22.534 1.00 24.12 H new ATOM 521 N ASN A 35 4.021 -17.727 -19.416 1.00 0.35 N ATOM 522 CA ASN A 35 2.921 -18.666 -19.602 1.00 52.31 C ATOM 523 C ASN A 35 3.021 -19.824 -18.614 1.00 53.10 C ATOM 524 O ASN A 35 2.720 -20.968 -18.952 1.00 72.11 O ATOM 525 CB ASN A 35 2.918 -19.202 -21.035 1.00 51.10 C ATOM 526 CG ASN A 35 2.492 -18.153 -22.044 1.00 41.10 C ATOM 527 OD1 ASN A 35 1.305 -17.859 -22.188 1.00 22.52 O ATOM 528 ND2 ASN A 35 3.462 -17.582 -22.749 1.00 61.30 N ATOM 0 H ASN A 35 3.764 -16.747 -19.537 1.00 0.35 H new ATOM 0 HA ASN A 35 1.987 -18.135 -19.418 1.00 52.31 H new ATOM 0 HB2 ASN A 35 3.916 -19.561 -21.288 1.00 51.10 H new ATOM 0 HB3 ASN A 35 2.246 -20.058 -21.099 1.00 51.10 H new ATOM 0 HD21 ASN A 35 3.236 -16.869 -23.443 1.00 61.30 H new ATOM 0 HD22 ASN A 35 4.433 -17.856 -22.597 1.00 61.30 H new ATOM 535 N GLU A 36 3.445 -19.517 -17.392 1.00 32.31 N ATOM 536 CA GLU A 36 3.584 -20.533 -16.355 1.00 62.22 C ATOM 537 C GLU A 36 3.578 -19.899 -14.967 1.00 55.34 C ATOM 538 O GLU A 36 4.168 -18.840 -14.755 1.00 74.04 O ATOM 539 CB GLU A 36 4.876 -21.327 -16.559 1.00 22.33 C ATOM 540 CG GLU A 36 5.064 -22.453 -15.555 1.00 55.40 C ATOM 541 CD GLU A 36 4.385 -23.738 -15.987 1.00 23.32 C ATOM 542 OE1 GLU A 36 3.328 -23.658 -16.647 1.00 45.25 O ATOM 543 OE2 GLU A 36 4.911 -24.824 -15.664 1.00 74.11 O ATOM 0 H GLU A 36 3.698 -18.574 -17.096 1.00 32.31 H new ATOM 0 HA GLU A 36 2.733 -21.210 -16.429 1.00 62.22 H new ATOM 0 HB2 GLU A 36 4.881 -21.745 -17.566 1.00 22.33 H new ATOM 0 HB3 GLU A 36 5.725 -20.647 -16.492 1.00 22.33 H new ATOM 0 HG2 GLU A 36 6.129 -22.638 -15.417 1.00 55.40 H new ATOM 0 HG3 GLU A 36 4.666 -22.143 -14.588 1.00 55.40 H new ATOM 550 N GLU A 37 2.905 -20.554 -14.027 1.00 31.44 N ATOM 551 CA GLU A 37 2.820 -20.054 -12.660 1.00 1.43 C ATOM 552 C GLU A 37 3.963 -20.600 -11.808 1.00 75.13 C ATOM 553 O GLU A 37 4.398 -21.736 -11.991 1.00 61.41 O ATOM 554 CB GLU A 37 1.476 -20.435 -12.035 1.00 63.45 C ATOM 555 CG GLU A 37 1.235 -21.935 -11.981 1.00 12.54 C ATOM 556 CD GLU A 37 0.107 -22.310 -11.039 1.00 10.41 C ATOM 557 OE1 GLU A 37 0.203 -21.979 -9.838 1.00 71.42 O ATOM 558 OE2 GLU A 37 -0.871 -22.933 -11.502 1.00 22.11 O ATOM 0 H GLU A 37 2.411 -21.432 -14.187 1.00 31.44 H new ATOM 0 HA GLU A 37 2.901 -18.968 -12.693 1.00 1.43 H new ATOM 0 HB2 GLU A 37 1.427 -20.031 -11.024 1.00 63.45 H new ATOM 0 HB3 GLU A 37 0.674 -19.967 -12.605 1.00 63.45 H new ATOM 0 HG2 GLU A 37 1.004 -22.299 -12.982 1.00 12.54 H new ATOM 0 HG3 GLU A 37 2.150 -22.435 -11.664 1.00 12.54 H new ATOM 565 N MET A 38 4.443 -19.782 -10.878 1.00 10.32 N ATOM 566 CA MET A 38 5.534 -20.183 -9.998 1.00 2.15 C ATOM 567 C MET A 38 5.013 -20.521 -8.604 1.00 53.15 C ATOM 568 O MET A 38 3.819 -20.400 -8.333 1.00 54.14 O ATOM 569 CB MET A 38 6.580 -19.070 -9.907 1.00 64.31 C ATOM 570 CG MET A 38 6.021 -17.750 -9.401 1.00 64.24 C ATOM 571 SD MET A 38 7.311 -16.607 -8.873 1.00 4.32 S ATOM 572 CE MET A 38 8.442 -16.708 -10.258 1.00 50.34 C ATOM 0 H MET A 38 4.094 -18.838 -10.714 1.00 10.32 H new ATOM 0 HA MET A 38 5.998 -21.075 -10.420 1.00 2.15 H new ATOM 0 HB2 MET A 38 7.384 -19.392 -9.246 1.00 64.31 H new ATOM 0 HB3 MET A 38 7.020 -18.915 -10.892 1.00 64.31 H new ATOM 0 HG2 MET A 38 5.429 -17.285 -10.189 1.00 64.24 H new ATOM 0 HG3 MET A 38 5.347 -17.941 -8.566 1.00 64.24 H new ATOM 0 HE1 MET A 38 9.240 -15.977 -10.130 1.00 50.34 H new ATOM 0 HE2 MET A 38 8.871 -17.709 -10.305 1.00 50.34 H new ATOM 0 HE3 MET A 38 7.904 -16.500 -11.183 1.00 50.34 H new ATOM 582 N GLU A 39 5.916 -20.945 -7.726 1.00 31.00 N ATOM 583 CA GLU A 39 5.545 -21.301 -6.362 1.00 32.35 C ATOM 584 C GLU A 39 5.476 -20.061 -5.475 1.00 74.01 C ATOM 585 O GLU A 39 5.890 -18.974 -5.876 1.00 73.20 O ATOM 586 CB GLU A 39 6.547 -22.301 -5.781 1.00 63.02 C ATOM 587 CG GLU A 39 5.912 -23.345 -4.878 1.00 43.01 C ATOM 588 CD GLU A 39 6.030 -24.750 -5.437 1.00 51.54 C ATOM 589 OE1 GLU A 39 7.069 -25.399 -5.195 1.00 41.33 O ATOM 590 OE2 GLU A 39 5.084 -25.199 -6.117 1.00 31.31 O ATOM 0 H GLU A 39 6.909 -21.050 -7.935 1.00 31.00 H new ATOM 0 HA GLU A 39 4.558 -21.762 -6.391 1.00 32.35 H new ATOM 0 HB2 GLU A 39 7.060 -22.805 -6.600 1.00 63.02 H new ATOM 0 HB3 GLU A 39 7.304 -21.757 -5.217 1.00 63.02 H new ATOM 0 HG2 GLU A 39 6.385 -23.308 -3.897 1.00 43.01 H new ATOM 0 HG3 GLU A 39 4.859 -23.103 -4.733 1.00 43.01 H new ATOM 597 N GLY A 40 4.948 -20.233 -4.267 1.00 11.02 N ATOM 598 CA GLY A 40 4.833 -19.120 -3.342 1.00 72.24 C ATOM 599 C GLY A 40 6.105 -18.300 -3.262 1.00 12.35 C ATOM 600 O GLY A 40 6.982 -18.580 -2.443 1.00 42.54 O ATOM 0 H GLY A 40 4.598 -21.123 -3.912 1.00 11.02 H new ATOM 0 HA2 GLY A 40 4.009 -18.477 -3.652 1.00 72.24 H new ATOM 0 HA3 GLY A 40 4.586 -19.499 -2.351 1.00 72.24 H new ATOM 604 N LEU A 41 6.207 -17.285 -4.113 1.00 3.03 N ATOM 605 CA LEU A 41 7.383 -16.421 -4.136 1.00 31.44 C ATOM 606 C LEU A 41 8.664 -17.247 -4.194 1.00 21.12 C ATOM 607 O LEU A 41 9.296 -17.503 -3.169 1.00 54.42 O ATOM 608 CB LEU A 41 7.401 -15.518 -2.901 1.00 55.14 C ATOM 609 CG LEU A 41 6.094 -14.791 -2.583 1.00 53.42 C ATOM 610 CD1 LEU A 41 5.802 -14.845 -1.092 1.00 33.53 C ATOM 611 CD2 LEU A 41 6.155 -13.348 -3.064 1.00 24.13 C ATOM 0 H LEU A 41 5.490 -17.040 -4.796 1.00 3.03 H new ATOM 0 HA LEU A 41 7.331 -15.801 -5.031 1.00 31.44 H new ATOM 0 HB2 LEU A 41 7.677 -16.123 -2.037 1.00 55.14 H new ATOM 0 HB3 LEU A 41 8.186 -14.773 -3.032 1.00 55.14 H new ATOM 0 HG LEU A 41 5.284 -15.295 -3.110 1.00 53.42 H new ATOM 0 HD11 LEU A 41 4.868 -14.322 -0.885 1.00 33.53 H new ATOM 0 HD12 LEU A 41 5.714 -15.884 -0.776 1.00 33.53 H new ATOM 0 HD13 LEU A 41 6.614 -14.367 -0.545 1.00 33.53 H new ATOM 0 HD21 LEU A 41 5.216 -12.846 -2.829 1.00 24.13 H new ATOM 0 HD22 LEU A 41 6.976 -12.833 -2.566 1.00 24.13 H new ATOM 0 HD23 LEU A 41 6.316 -13.330 -4.142 1.00 24.13 H new ATOM 623 N GLU A 42 9.042 -17.659 -5.400 1.00 22.21 N ATOM 624 CA GLU A 42 10.249 -18.455 -5.591 1.00 3.32 C ATOM 625 C GLU A 42 10.947 -18.080 -6.895 1.00 41.01 C ATOM 626 O GLU A 42 10.515 -17.171 -7.604 1.00 20.42 O ATOM 627 CB GLU A 42 9.909 -19.946 -5.592 1.00 72.41 C ATOM 628 CG GLU A 42 9.369 -20.446 -6.921 1.00 73.35 C ATOM 629 CD GLU A 42 9.350 -21.960 -7.012 1.00 5.13 C ATOM 630 OE1 GLU A 42 9.401 -22.619 -5.952 1.00 52.32 O ATOM 631 OE2 GLU A 42 9.286 -22.485 -8.143 1.00 34.31 O ATOM 0 H GLU A 42 8.530 -17.455 -6.259 1.00 22.21 H new ATOM 0 HA GLU A 42 10.926 -18.245 -4.763 1.00 3.32 H new ATOM 0 HB2 GLU A 42 10.803 -20.514 -5.336 1.00 72.41 H new ATOM 0 HB3 GLU A 42 9.172 -20.143 -4.813 1.00 72.41 H new ATOM 0 HG2 GLU A 42 8.358 -20.065 -7.064 1.00 73.35 H new ATOM 0 HG3 GLU A 42 9.979 -20.045 -7.731 1.00 73.35 H new ATOM 638 N ALA A 43 12.029 -18.787 -7.205 1.00 3.45 N ATOM 639 CA ALA A 43 12.787 -18.530 -8.423 1.00 74.03 C ATOM 640 C ALA A 43 12.252 -19.359 -9.586 1.00 43.04 C ATOM 641 O ALA A 43 12.563 -20.543 -9.712 1.00 12.31 O ATOM 642 CB ALA A 43 14.263 -18.822 -8.199 1.00 32.13 C ATOM 0 H ALA A 43 12.400 -19.542 -6.629 1.00 3.45 H new ATOM 0 HA ALA A 43 12.672 -17.476 -8.678 1.00 74.03 H new ATOM 0 HB1 ALA A 43 14.816 -18.625 -9.117 1.00 32.13 H new ATOM 0 HB2 ALA A 43 14.644 -18.183 -7.402 1.00 32.13 H new ATOM 0 HB3 ALA A 43 14.388 -19.867 -7.917 1.00 32.13 H new ATOM 648 N GLY A 44 11.446 -18.729 -10.435 1.00 51.32 N ATOM 649 CA GLY A 44 10.881 -19.424 -11.577 1.00 33.34 C ATOM 650 C GLY A 44 11.928 -19.789 -12.610 1.00 30.31 C ATOM 651 O GLY A 44 12.725 -20.705 -12.401 1.00 14.23 O ATOM 0 H GLY A 44 11.174 -17.749 -10.352 1.00 51.32 H new ATOM 0 HA2 GLY A 44 10.381 -20.330 -11.236 1.00 33.34 H new ATOM 0 HA3 GLY A 44 10.121 -18.796 -12.041 1.00 33.34 H new ATOM 655 N HIS A 45 11.927 -19.073 -13.730 1.00 30.21 N ATOM 656 CA HIS A 45 12.884 -19.328 -14.801 1.00 10.42 C ATOM 657 C HIS A 45 13.951 -18.238 -14.846 1.00 23.22 C ATOM 658 O HIS A 45 15.136 -18.509 -14.653 1.00 24.05 O ATOM 659 CB HIS A 45 12.165 -19.409 -16.148 1.00 14.05 C ATOM 660 CG HIS A 45 12.203 -20.773 -16.766 1.00 4.51 C ATOM 661 ND1 HIS A 45 11.723 -21.900 -16.134 1.00 15.45 N ATOM 662 CD2 HIS A 45 12.668 -21.187 -17.968 1.00 2.32 C ATOM 663 CE1 HIS A 45 11.891 -22.948 -16.919 1.00 24.30 C ATOM 664 NE2 HIS A 45 12.463 -22.543 -18.039 1.00 11.45 N ATOM 0 H HIS A 45 11.275 -18.312 -13.919 1.00 30.21 H new ATOM 0 HA HIS A 45 13.371 -20.282 -14.600 1.00 10.42 H new ATOM 0 HB2 HIS A 45 11.126 -19.108 -16.015 1.00 14.05 H new ATOM 0 HB3 HIS A 45 12.618 -18.695 -16.836 1.00 14.05 H new ATOM 0 HD2 HIS A 45 13.117 -20.566 -18.729 1.00 2.32 H new ATOM 0 HE1 HIS A 45 11.609 -23.964 -16.685 1.00 24.30 H new ATOM 0 HE2 HIS A 45 12.712 -23.140 -18.828 1.00 11.45 H new ATOM 672 N TRP A 46 13.523 -17.008 -15.103 1.00 11.35 N ATOM 673 CA TRP A 46 14.442 -15.878 -15.174 1.00 5.23 C ATOM 674 C TRP A 46 15.080 -15.609 -13.815 1.00 42.42 C ATOM 675 O TRP A 46 14.483 -15.881 -12.774 1.00 11.11 O ATOM 676 CB TRP A 46 13.710 -14.628 -15.664 1.00 11.33 C ATOM 677 CG TRP A 46 13.212 -14.745 -17.073 1.00 1.15 C ATOM 678 CD1 TRP A 46 13.945 -15.080 -18.175 1.00 53.34 C ATOM 679 CD2 TRP A 46 11.873 -14.526 -17.529 1.00 50.32 C ATOM 680 NE1 TRP A 46 13.142 -15.082 -19.290 1.00 55.23 N ATOM 681 CE2 TRP A 46 11.866 -14.746 -18.921 1.00 20.25 C ATOM 682 CE3 TRP A 46 10.679 -14.167 -16.898 1.00 52.13 C ATOM 683 CZ2 TRP A 46 10.712 -14.618 -19.688 1.00 52.34 C ATOM 684 CZ3 TRP A 46 9.534 -14.040 -17.662 1.00 2.41 C ATOM 685 CH2 TRP A 46 9.557 -14.265 -19.045 1.00 32.23 C ATOM 0 H TRP A 46 12.545 -16.767 -15.266 1.00 11.35 H new ATOM 0 HA TRP A 46 15.232 -16.128 -15.882 1.00 5.23 H new ATOM 0 HB2 TRP A 46 12.866 -14.427 -15.004 1.00 11.33 H new ATOM 0 HB3 TRP A 46 14.381 -13.772 -15.593 1.00 11.33 H new ATOM 0 HD1 TRP A 46 15.000 -15.310 -18.171 1.00 53.34 H new ATOM 0 HE1 TRP A 46 13.447 -15.299 -20.239 1.00 55.23 H new ATOM 0 HE3 TRP A 46 10.651 -13.992 -15.833 1.00 52.13 H new ATOM 0 HZ2 TRP A 46 10.728 -14.791 -20.754 1.00 52.34 H new ATOM 0 HZ3 TRP A 46 8.606 -13.763 -17.185 1.00 2.41 H new ATOM 0 HH2 TRP A 46 8.645 -14.158 -19.614 1.00 32.23 H new ATOM 696 N SER A 47 16.296 -15.072 -13.833 1.00 23.41 N ATOM 697 CA SER A 47 17.016 -14.770 -12.601 1.00 43.25 C ATOM 698 C SER A 47 18.092 -13.716 -12.846 1.00 63.21 C ATOM 699 O SER A 47 19.014 -13.926 -13.635 1.00 21.03 O ATOM 700 CB SER A 47 17.651 -16.040 -12.031 1.00 54.03 C ATOM 701 OG SER A 47 18.493 -16.662 -12.986 1.00 4.22 O ATOM 0 H SER A 47 16.803 -14.837 -14.686 1.00 23.41 H new ATOM 0 HA SER A 47 16.301 -14.375 -11.879 1.00 43.25 H new ATOM 0 HB2 SER A 47 18.227 -15.793 -11.139 1.00 54.03 H new ATOM 0 HB3 SER A 47 16.869 -16.735 -11.723 1.00 54.03 H new ATOM 0 HG SER A 47 18.981 -15.976 -13.488 1.00 4.22 H new ATOM 707 N ARG A 48 17.967 -12.582 -12.164 1.00 62.41 N ATOM 708 CA ARG A 48 18.927 -11.495 -12.307 1.00 43.35 C ATOM 709 C ARG A 48 18.807 -10.507 -11.150 1.00 61.42 C ATOM 710 O ARG A 48 17.774 -10.439 -10.484 1.00 20.30 O ATOM 711 CB ARG A 48 18.712 -10.768 -13.636 1.00 41.13 C ATOM 712 CG ARG A 48 20.004 -10.427 -14.360 1.00 44.21 C ATOM 713 CD ARG A 48 20.246 -8.926 -14.391 1.00 51.25 C ATOM 714 NE ARG A 48 20.821 -8.490 -15.661 1.00 73.34 N ATOM 715 CZ ARG A 48 22.007 -8.890 -16.107 1.00 12.33 C ATOM 716 NH1 ARG A 48 22.740 -9.730 -15.389 1.00 15.32 N ATOM 717 NH2 ARG A 48 22.462 -8.449 -17.273 1.00 32.23 N ATOM 0 H ARG A 48 17.210 -12.393 -11.507 1.00 62.41 H new ATOM 0 HA ARG A 48 19.929 -11.925 -12.293 1.00 43.35 H new ATOM 0 HB2 ARG A 48 18.095 -11.390 -14.285 1.00 41.13 H new ATOM 0 HB3 ARG A 48 18.155 -9.849 -13.452 1.00 41.13 H new ATOM 0 HG2 ARG A 48 20.840 -10.921 -13.866 1.00 44.21 H new ATOM 0 HG3 ARG A 48 19.963 -10.811 -15.379 1.00 44.21 H new ATOM 0 HD2 ARG A 48 19.305 -8.404 -14.221 1.00 51.25 H new ATOM 0 HD3 ARG A 48 20.915 -8.650 -13.576 1.00 51.25 H new ATOM 0 HE ARG A 48 20.283 -7.843 -16.237 1.00 73.34 H new ATOM 0 HH11 ARG A 48 22.394 -10.071 -14.492 1.00 15.32 H new ATOM 0 HH12 ARG A 48 23.650 -10.036 -15.734 1.00 15.32 H new ATOM 0 HH21 ARG A 48 21.901 -7.802 -17.828 1.00 32.23 H new ATOM 0 HH22 ARG A 48 23.373 -8.757 -17.614 1.00 32.23 H new ATOM 731 N ASP A 49 19.870 -9.745 -10.917 1.00 73.11 N ATOM 732 CA ASP A 49 19.884 -8.761 -9.841 1.00 34.10 C ATOM 733 C ASP A 49 20.673 -7.521 -10.249 1.00 21.04 C ATOM 734 O ASP A 49 21.882 -7.589 -10.470 1.00 44.44 O ATOM 735 CB ASP A 49 20.484 -9.369 -8.573 1.00 23.23 C ATOM 736 CG ASP A 49 21.353 -8.385 -7.814 1.00 61.32 C ATOM 737 OD1 ASP A 49 20.917 -7.230 -7.629 1.00 23.04 O ATOM 738 OD2 ASP A 49 22.469 -8.770 -7.407 1.00 24.22 O ATOM 0 H ASP A 49 20.733 -9.790 -11.459 1.00 73.11 H new ATOM 0 HA ASP A 49 18.855 -8.464 -9.640 1.00 34.10 H new ATOM 0 HB2 ASP A 49 19.680 -9.715 -7.924 1.00 23.23 H new ATOM 0 HB3 ASP A 49 21.078 -10.244 -8.839 1.00 23.23 H new ATOM 743 N ILE A 50 19.981 -6.391 -10.346 1.00 41.02 N ATOM 744 CA ILE A 50 20.618 -5.136 -10.727 1.00 72.42 C ATOM 745 C ILE A 50 20.986 -4.311 -9.499 1.00 34.33 C ATOM 746 O ILE A 50 20.122 -3.945 -8.701 1.00 32.33 O ATOM 747 CB ILE A 50 19.706 -4.297 -11.641 1.00 53.02 C ATOM 748 CG1 ILE A 50 19.114 -5.171 -12.749 1.00 13.21 C ATOM 749 CG2 ILE A 50 20.481 -3.131 -12.236 1.00 52.13 C ATOM 750 CD1 ILE A 50 20.100 -5.508 -13.845 1.00 3.11 C ATOM 0 H ILE A 50 18.980 -6.318 -10.166 1.00 41.02 H new ATOM 0 HA ILE A 50 21.525 -5.396 -11.272 1.00 72.42 H new ATOM 0 HB ILE A 50 18.887 -3.897 -11.043 1.00 53.02 H new ATOM 0 HG12 ILE A 50 18.741 -6.096 -12.310 1.00 13.21 H new ATOM 0 HG13 ILE A 50 18.258 -4.658 -13.187 1.00 13.21 H new ATOM 0 HG21 ILE A 50 19.823 -2.547 -12.880 1.00 52.13 H new ATOM 0 HG22 ILE A 50 20.859 -2.498 -11.433 1.00 52.13 H new ATOM 0 HG23 ILE A 50 21.318 -3.511 -12.822 1.00 52.13 H new ATOM 0 HD11 ILE A 50 19.611 -6.129 -14.595 1.00 3.11 H new ATOM 0 HD12 ILE A 50 20.455 -4.589 -14.310 1.00 3.11 H new ATOM 0 HD13 ILE A 50 20.945 -6.049 -13.420 1.00 3.11 H new ATOM 762 N THR A 51 22.274 -4.019 -9.353 1.00 24.23 N ATOM 763 CA THR A 51 22.757 -3.237 -8.222 1.00 44.41 C ATOM 764 C THR A 51 23.170 -1.836 -8.659 1.00 53.34 C ATOM 765 O THR A 51 24.142 -1.276 -8.152 1.00 21.41 O ATOM 766 CB THR A 51 23.954 -3.921 -7.536 1.00 5.14 C ATOM 767 OG1 THR A 51 25.035 -4.065 -8.464 1.00 71.22 O ATOM 768 CG2 THR A 51 23.559 -5.286 -6.993 1.00 64.24 C ATOM 0 H THR A 51 23.002 -4.312 -10.004 1.00 24.23 H new ATOM 0 HA THR A 51 21.933 -3.166 -7.512 1.00 44.41 H new ATOM 0 HB THR A 51 24.273 -3.295 -6.703 1.00 5.14 H new ATOM 0 HG1 THR A 51 25.793 -4.499 -8.019 1.00 71.22 H new ATOM 0 HG21 THR A 51 24.421 -5.750 -6.513 1.00 64.24 H new ATOM 0 HG22 THR A 51 22.757 -5.169 -6.264 1.00 64.24 H new ATOM 0 HG23 THR A 51 23.216 -5.918 -7.812 1.00 64.24 H new ATOM 776 N LYS A 52 22.424 -1.272 -9.604 1.00 30.32 N ATOM 777 CA LYS A 52 22.710 0.065 -10.109 1.00 1.31 C ATOM 778 C LYS A 52 21.999 0.309 -11.436 1.00 13.41 C ATOM 779 O LYS A 52 22.064 -0.500 -12.361 1.00 61.40 O ATOM 780 CB LYS A 52 24.219 0.255 -10.284 1.00 74.44 C ATOM 781 CG LYS A 52 24.840 1.176 -9.249 1.00 64.40 C ATOM 782 CD LYS A 52 25.862 2.110 -9.876 1.00 14.23 C ATOM 783 CE LYS A 52 26.108 3.332 -9.004 1.00 23.34 C ATOM 784 NZ LYS A 52 27.326 3.174 -8.160 1.00 54.53 N ATOM 0 H LYS A 52 21.616 -1.721 -10.035 1.00 30.32 H new ATOM 0 HA LYS A 52 22.341 0.788 -9.381 1.00 1.31 H new ATOM 0 HB2 LYS A 52 24.708 -0.718 -10.232 1.00 74.44 H new ATOM 0 HB3 LYS A 52 24.413 0.657 -11.279 1.00 74.44 H new ATOM 0 HG2 LYS A 52 24.058 1.762 -8.766 1.00 64.40 H new ATOM 0 HG3 LYS A 52 25.318 0.581 -8.471 1.00 64.40 H new ATOM 0 HD2 LYS A 52 26.800 1.576 -10.028 1.00 14.23 H new ATOM 0 HD3 LYS A 52 25.512 2.427 -10.859 1.00 14.23 H new ATOM 0 HE2 LYS A 52 26.216 4.214 -9.636 1.00 23.34 H new ATOM 0 HE3 LYS A 52 25.242 3.502 -8.364 1.00 23.34 H new ATOM 0 HZ1 LYS A 52 27.460 4.027 -7.580 1.00 54.53 H new ATOM 0 HZ2 LYS A 52 27.213 2.348 -7.539 1.00 54.53 H new ATOM 0 HZ3 LYS A 52 28.156 3.037 -8.771 1.00 54.53 H new ATOM 798 N PRO A 53 21.304 1.452 -11.534 1.00 55.32 N ATOM 799 CA PRO A 53 20.568 1.830 -12.745 1.00 5.11 C ATOM 800 C PRO A 53 21.498 2.182 -13.902 1.00 20.55 C ATOM 801 O PRO A 53 22.719 2.068 -13.787 1.00 53.43 O ATOM 802 CB PRO A 53 19.772 3.061 -12.306 1.00 55.24 C ATOM 803 CG PRO A 53 20.552 3.634 -11.174 1.00 43.44 C ATOM 804 CD PRO A 53 21.182 2.464 -10.471 1.00 61.01 C ATOM 0 HA PRO A 53 19.948 1.014 -13.117 1.00 5.11 H new ATOM 0 HB2 PRO A 53 19.672 3.778 -13.120 1.00 55.24 H new ATOM 0 HB3 PRO A 53 18.763 2.790 -11.994 1.00 55.24 H new ATOM 0 HG2 PRO A 53 21.312 4.327 -11.535 1.00 43.44 H new ATOM 0 HG3 PRO A 53 19.905 4.193 -10.498 1.00 43.44 H new ATOM 0 HD2 PRO A 53 22.153 2.724 -10.050 1.00 61.01 H new ATOM 0 HD3 PRO A 53 20.562 2.109 -9.647 1.00 61.01 H new ATOM 812 N LYS A 54 20.913 2.609 -15.016 1.00 23.25 N ATOM 813 CA LYS A 54 21.689 2.979 -16.194 1.00 34.04 C ATOM 814 C LYS A 54 20.928 3.986 -17.051 1.00 62.51 C ATOM 815 O LYS A 54 21.224 4.157 -18.233 1.00 20.41 O ATOM 816 CB LYS A 54 22.021 1.736 -17.022 1.00 24.12 C ATOM 817 CG LYS A 54 20.851 1.219 -17.841 1.00 0.34 C ATOM 818 CD LYS A 54 19.914 0.369 -16.999 1.00 61.23 C ATOM 819 CE LYS A 54 20.173 -1.116 -17.206 1.00 14.25 C ATOM 820 NZ LYS A 54 20.372 -1.829 -15.913 1.00 42.25 N ATOM 0 H LYS A 54 19.904 2.707 -15.128 1.00 23.25 H new ATOM 0 HA LYS A 54 22.617 3.442 -15.858 1.00 34.04 H new ATOM 0 HB2 LYS A 54 22.849 1.967 -17.692 1.00 24.12 H new ATOM 0 HB3 LYS A 54 22.363 0.946 -16.354 1.00 24.12 H new ATOM 0 HG2 LYS A 54 20.301 2.060 -18.263 1.00 0.34 H new ATOM 0 HG3 LYS A 54 21.224 0.630 -18.679 1.00 0.34 H new ATOM 0 HD2 LYS A 54 20.042 0.619 -15.946 1.00 61.23 H new ATOM 0 HD3 LYS A 54 18.880 0.599 -17.258 1.00 61.23 H new ATOM 0 HE2 LYS A 54 19.333 -1.560 -17.740 1.00 14.25 H new ATOM 0 HE3 LYS A 54 21.055 -1.247 -17.833 1.00 14.25 H new ATOM 0 HZ1 LYS A 54 21.229 -2.416 -15.968 1.00 42.25 H new ATOM 0 HZ2 LYS A 54 20.477 -1.134 -15.146 1.00 42.25 H new ATOM 0 HZ3 LYS A 54 19.549 -2.435 -15.721 1.00 42.25 H new ATOM 834 N ASN A 55 19.948 4.650 -16.447 1.00 64.10 N ATOM 835 CA ASN A 55 19.146 5.641 -17.156 1.00 23.51 C ATOM 836 C ASN A 55 18.077 6.230 -16.241 1.00 73.23 C ATOM 837 O ASN A 55 16.976 6.555 -16.685 1.00 22.32 O ATOM 838 CB ASN A 55 18.491 5.010 -18.386 1.00 54.53 C ATOM 839 CG ASN A 55 18.975 5.632 -19.682 1.00 2.12 C ATOM 840 OD1 ASN A 55 20.058 6.216 -19.736 1.00 54.22 O ATOM 841 ND2 ASN A 55 18.173 5.509 -20.733 1.00 44.02 N ATOM 0 H ASN A 55 19.690 4.520 -15.469 1.00 64.10 H new ATOM 0 HA ASN A 55 19.807 6.446 -17.477 1.00 23.51 H new ATOM 0 HB2 ASN A 55 18.702 3.941 -18.398 1.00 54.53 H new ATOM 0 HB3 ASN A 55 17.409 5.121 -18.315 1.00 54.53 H new ATOM 0 HD21 ASN A 55 18.445 5.907 -21.632 1.00 44.02 H new ATOM 0 HD22 ASN A 55 17.284 5.016 -20.642 1.00 44.02 H new ATOM 848 N GLY A 56 18.409 6.365 -14.961 1.00 43.21 N ATOM 849 CA GLY A 56 17.467 6.916 -14.004 1.00 63.51 C ATOM 850 C GLY A 56 16.499 5.874 -13.479 1.00 5.04 C ATOM 851 O GLY A 56 15.885 6.062 -12.429 1.00 33.04 O ATOM 0 H GLY A 56 19.314 6.103 -14.569 1.00 43.21 H new ATOM 0 HA2 GLY A 56 18.015 7.352 -13.169 1.00 63.51 H new ATOM 0 HA3 GLY A 56 16.907 7.724 -14.474 1.00 63.51 H new ATOM 855 N ARG A 57 16.362 4.773 -14.211 1.00 2.34 N ATOM 856 CA ARG A 57 15.460 3.699 -13.813 1.00 52.34 C ATOM 857 C ARG A 57 16.149 2.342 -13.923 1.00 14.12 C ATOM 858 O ARG A 57 17.193 2.215 -14.563 1.00 35.24 O ATOM 859 CB ARG A 57 14.200 3.715 -14.682 1.00 3.44 C ATOM 860 CG ARG A 57 13.803 5.105 -15.153 1.00 21.23 C ATOM 861 CD ARG A 57 14.024 5.270 -16.648 1.00 54.32 C ATOM 862 NE ARG A 57 12.764 5.407 -17.375 1.00 64.54 N ATOM 863 CZ ARG A 57 12.663 5.982 -18.568 1.00 42.41 C ATOM 864 NH1 ARG A 57 13.741 6.472 -19.165 1.00 11.40 N ATOM 865 NH2 ARG A 57 11.482 6.068 -19.167 1.00 0.44 N ATOM 0 H ARG A 57 16.864 4.602 -15.082 1.00 2.34 H new ATOM 0 HA ARG A 57 15.178 3.861 -12.773 1.00 52.34 H new ATOM 0 HB2 ARG A 57 14.360 3.078 -15.552 1.00 3.44 H new ATOM 0 HB3 ARG A 57 13.374 3.282 -14.118 1.00 3.44 H new ATOM 0 HG2 ARG A 57 12.754 5.285 -14.917 1.00 21.23 H new ATOM 0 HG3 ARG A 57 14.384 5.853 -14.613 1.00 21.23 H new ATOM 0 HD2 ARG A 57 14.644 6.148 -16.828 1.00 54.32 H new ATOM 0 HD3 ARG A 57 14.572 4.409 -17.031 1.00 54.32 H new ATOM 0 HE ARG A 57 11.916 5.041 -16.943 1.00 64.54 H new ATOM 0 HH11 ARG A 57 14.651 6.408 -18.708 1.00 11.40 H new ATOM 0 HH12 ARG A 57 13.661 6.913 -20.081 1.00 11.40 H new ATOM 0 HH21 ARG A 57 10.650 5.692 -18.711 1.00 0.44 H new ATOM 0 HH22 ARG A 57 11.406 6.510 -20.083 1.00 0.44 H new ATOM 879 N TRP A 58 15.558 1.333 -13.294 1.00 73.52 N ATOM 880 CA TRP A 58 16.115 -0.015 -13.320 1.00 71.15 C ATOM 881 C TRP A 58 15.616 -0.787 -14.537 1.00 41.22 C ATOM 882 O TRP A 58 14.554 -1.408 -14.496 1.00 72.34 O ATOM 883 CB TRP A 58 15.748 -0.766 -12.039 1.00 40.14 C ATOM 884 CG TRP A 58 15.997 0.029 -10.793 1.00 74.12 C ATOM 885 CD1 TRP A 58 15.214 1.027 -10.288 1.00 55.42 C ATOM 886 CD2 TRP A 58 17.104 -0.107 -9.897 1.00 24.34 C ATOM 887 NE1 TRP A 58 15.768 1.520 -9.132 1.00 0.15 N ATOM 888 CE2 TRP A 58 16.928 0.840 -8.869 1.00 51.23 C ATOM 889 CE3 TRP A 58 18.227 -0.939 -9.860 1.00 41.43 C ATOM 890 CZ2 TRP A 58 17.833 0.978 -7.821 1.00 22.04 C ATOM 891 CZ3 TRP A 58 19.125 -0.800 -8.819 1.00 32.41 C ATOM 892 CH2 TRP A 58 18.924 0.151 -7.810 1.00 55.12 C ATOM 0 H TRP A 58 14.694 1.422 -12.760 1.00 73.52 H new ATOM 0 HA TRP A 58 17.200 0.069 -13.386 1.00 71.15 H new ATOM 0 HB2 TRP A 58 14.695 -1.045 -12.079 1.00 40.14 H new ATOM 0 HB3 TRP A 58 16.322 -1.692 -11.992 1.00 40.14 H new ATOM 0 HD1 TRP A 58 14.294 1.377 -10.732 1.00 55.42 H new ATOM 0 HE1 TRP A 58 15.379 2.271 -8.562 1.00 0.15 H new ATOM 0 HE3 TRP A 58 18.390 -1.677 -10.631 1.00 41.43 H new ATOM 0 HZ2 TRP A 58 17.680 1.712 -7.043 1.00 22.04 H new ATOM 0 HZ3 TRP A 58 19.997 -1.436 -8.783 1.00 32.41 H new ATOM 0 HH2 TRP A 58 19.643 0.233 -7.008 1.00 55.12 H new ATOM 903 N ILE A 59 16.388 -0.743 -15.618 1.00 23.14 N ATOM 904 CA ILE A 59 16.024 -1.440 -16.845 1.00 1.11 C ATOM 905 C ILE A 59 16.712 -2.798 -16.931 1.00 32.23 C ATOM 906 O ILE A 59 17.901 -2.924 -16.636 1.00 53.14 O ATOM 907 CB ILE A 59 16.389 -0.612 -18.092 1.00 23.54 C ATOM 908 CG1 ILE A 59 15.948 0.842 -17.913 1.00 32.53 C ATOM 909 CG2 ILE A 59 15.751 -1.217 -19.334 1.00 4.54 C ATOM 910 CD1 ILE A 59 16.759 1.824 -18.729 1.00 35.13 C ATOM 0 H ILE A 59 17.269 -0.232 -15.669 1.00 23.14 H new ATOM 0 HA ILE A 59 14.944 -1.584 -16.818 1.00 1.11 H new ATOM 0 HB ILE A 59 17.472 -0.630 -18.218 1.00 23.54 H new ATOM 0 HG12 ILE A 59 14.898 0.931 -18.191 1.00 32.53 H new ATOM 0 HG13 ILE A 59 16.023 1.109 -16.859 1.00 32.53 H new ATOM 0 HG21 ILE A 59 16.018 -0.621 -20.207 1.00 4.54 H new ATOM 0 HG22 ILE A 59 16.110 -2.237 -19.467 1.00 4.54 H new ATOM 0 HG23 ILE A 59 14.667 -1.226 -19.219 1.00 4.54 H new ATOM 0 HD11 ILE A 59 16.391 2.835 -18.553 1.00 35.13 H new ATOM 0 HD12 ILE A 59 17.807 1.763 -18.435 1.00 35.13 H new ATOM 0 HD13 ILE A 59 16.664 1.583 -19.788 1.00 35.13 H new ATOM 922 N PHE A 60 15.956 -3.813 -17.338 1.00 25.04 N ATOM 923 CA PHE A 60 16.493 -5.163 -17.464 1.00 21.15 C ATOM 924 C PHE A 60 16.154 -5.758 -18.827 1.00 45.02 C ATOM 925 O PHE A 60 15.134 -5.421 -19.427 1.00 74.01 O ATOM 926 CB PHE A 60 15.942 -6.059 -16.353 1.00 22.45 C ATOM 927 CG PHE A 60 16.248 -7.517 -16.551 1.00 12.50 C ATOM 928 CD1 PHE A 60 17.550 -7.943 -16.759 1.00 14.04 C ATOM 929 CD2 PHE A 60 15.233 -8.460 -16.530 1.00 50.34 C ATOM 930 CE1 PHE A 60 17.834 -9.283 -16.941 1.00 63.22 C ATOM 931 CE2 PHE A 60 15.512 -9.801 -16.712 1.00 33.21 C ATOM 932 CZ PHE A 60 16.814 -10.213 -16.919 1.00 33.31 C ATOM 0 H PHE A 60 14.970 -3.726 -17.586 1.00 25.04 H new ATOM 0 HA PHE A 60 17.578 -5.106 -17.372 1.00 21.15 H new ATOM 0 HB2 PHE A 60 16.356 -5.736 -15.398 1.00 22.45 H new ATOM 0 HB3 PHE A 60 14.862 -5.928 -16.293 1.00 22.45 H new ATOM 0 HD1 PHE A 60 18.352 -7.220 -16.779 1.00 14.04 H new ATOM 0 HD2 PHE A 60 14.213 -8.143 -16.370 1.00 50.34 H new ATOM 0 HE1 PHE A 60 18.853 -9.603 -17.100 1.00 63.22 H new ATOM 0 HE2 PHE A 60 14.712 -10.527 -16.692 1.00 33.21 H new ATOM 0 HZ PHE A 60 17.034 -11.261 -17.063 1.00 33.31 H new ATOM 942 N ARG A 61 17.019 -6.644 -19.311 1.00 0.02 N ATOM 943 CA ARG A 61 16.813 -7.285 -20.604 1.00 44.21 C ATOM 944 C ARG A 61 17.291 -8.734 -20.575 1.00 11.21 C ATOM 945 O ARG A 61 18.339 -9.041 -20.006 1.00 35.21 O ATOM 946 CB ARG A 61 17.551 -6.515 -21.701 1.00 61.54 C ATOM 947 CG ARG A 61 17.170 -5.046 -21.777 1.00 34.12 C ATOM 948 CD ARG A 61 18.007 -4.204 -20.827 1.00 51.31 C ATOM 949 NE ARG A 61 18.356 -2.910 -21.407 1.00 3.44 N ATOM 950 CZ ARG A 61 19.354 -2.734 -22.266 1.00 22.33 C ATOM 951 NH1 ARG A 61 20.097 -3.766 -22.643 1.00 41.42 N ATOM 952 NH2 ARG A 61 19.610 -1.526 -22.749 1.00 43.44 N ATOM 0 H ARG A 61 17.869 -6.934 -18.827 1.00 0.02 H new ATOM 0 HA ARG A 61 15.745 -7.278 -20.820 1.00 44.21 H new ATOM 0 HB2 ARG A 61 18.624 -6.595 -21.529 1.00 61.54 H new ATOM 0 HB3 ARG A 61 17.346 -6.985 -22.663 1.00 61.54 H new ATOM 0 HG2 ARG A 61 17.304 -4.687 -22.797 1.00 34.12 H new ATOM 0 HG3 ARG A 61 16.114 -4.930 -21.534 1.00 34.12 H new ATOM 0 HD2 ARG A 61 17.457 -4.049 -19.899 1.00 51.31 H new ATOM 0 HD3 ARG A 61 18.918 -4.744 -20.571 1.00 51.31 H new ATOM 0 HE ARG A 61 17.803 -2.096 -21.138 1.00 3.44 H new ATOM 0 HH11 ARG A 61 19.902 -4.697 -22.273 1.00 41.42 H new ATOM 0 HH12 ARG A 61 20.863 -3.629 -23.303 1.00 41.42 H new ATOM 0 HH21 ARG A 61 19.040 -0.730 -22.461 1.00 43.44 H new ATOM 0 HH22 ARG A 61 20.377 -1.392 -23.408 1.00 43.44 H new ATOM 966 N ASP A 62 16.516 -9.619 -21.191 1.00 74.11 N ATOM 967 CA ASP A 62 16.859 -11.036 -21.236 1.00 42.45 C ATOM 968 C ASP A 62 17.199 -11.467 -22.660 1.00 30.13 C ATOM 969 O ASP A 62 17.226 -10.647 -23.578 1.00 33.23 O ATOM 970 CB ASP A 62 15.704 -11.880 -20.696 1.00 61.13 C ATOM 971 CG ASP A 62 15.935 -12.330 -19.267 1.00 13.10 C ATOM 972 OD1 ASP A 62 17.042 -12.826 -18.973 1.00 61.10 O ATOM 973 OD2 ASP A 62 15.007 -12.186 -18.443 1.00 24.55 O ATOM 0 H ASP A 62 15.646 -9.381 -21.666 1.00 74.11 H new ATOM 0 HA ASP A 62 17.736 -11.193 -20.609 1.00 42.45 H new ATOM 0 HB2 ASP A 62 14.781 -11.303 -20.747 1.00 61.13 H new ATOM 0 HB3 ASP A 62 15.569 -12.755 -21.332 1.00 61.13 H new ATOM 978 N ARG A 63 17.459 -12.759 -22.835 1.00 12.40 N ATOM 979 CA ARG A 63 17.799 -13.298 -24.146 1.00 23.42 C ATOM 980 C ARG A 63 17.286 -14.728 -24.295 1.00 42.31 C ATOM 981 O ARG A 63 17.729 -15.468 -25.172 1.00 23.11 O ATOM 982 CB ARG A 63 19.314 -13.264 -24.357 1.00 70.23 C ATOM 983 CG ARG A 63 19.802 -12.009 -25.063 1.00 23.45 C ATOM 984 CD ARG A 63 21.297 -12.070 -25.337 1.00 33.41 C ATOM 985 NE ARG A 63 22.017 -10.977 -24.691 1.00 10.52 N ATOM 986 CZ ARG A 63 22.403 -11.000 -23.420 1.00 61.20 C ATOM 987 NH1 ARG A 63 22.140 -12.057 -22.663 1.00 53.43 N ATOM 988 NH2 ARG A 63 23.055 -9.966 -22.904 1.00 14.11 N ATOM 0 H ARG A 63 17.441 -13.451 -22.086 1.00 12.40 H new ATOM 0 HA ARG A 63 17.319 -12.677 -24.903 1.00 23.42 H new ATOM 0 HB2 ARG A 63 19.809 -13.342 -23.389 1.00 70.23 H new ATOM 0 HB3 ARG A 63 19.611 -14.137 -24.938 1.00 70.23 H new ATOM 0 HG2 ARG A 63 19.263 -11.886 -26.003 1.00 23.45 H new ATOM 0 HG3 ARG A 63 19.578 -11.135 -24.451 1.00 23.45 H new ATOM 0 HD2 ARG A 63 21.692 -13.023 -24.984 1.00 33.41 H new ATOM 0 HD3 ARG A 63 21.470 -12.032 -26.412 1.00 33.41 H new ATOM 0 HE ARG A 63 22.236 -10.150 -25.246 1.00 10.52 H new ATOM 0 HH11 ARG A 63 21.640 -12.854 -23.056 1.00 53.43 H new ATOM 0 HH12 ARG A 63 22.437 -12.072 -21.687 1.00 53.43 H new ATOM 0 HH21 ARG A 63 23.260 -9.152 -23.483 1.00 14.11 H new ATOM 0 HH22 ARG A 63 23.351 -9.985 -21.928 1.00 14.11 H new ATOM 1002 N ASN A 64 16.350 -15.108 -23.432 1.00 12.00 N ATOM 1003 CA ASN A 64 15.777 -16.449 -23.467 1.00 41.21 C ATOM 1004 C ASN A 64 14.254 -16.391 -23.410 1.00 74.32 C ATOM 1005 O ASN A 64 13.591 -17.408 -23.208 1.00 21.35 O ATOM 1006 CB ASN A 64 16.311 -17.285 -22.302 1.00 50.41 C ATOM 1007 CG ASN A 64 17.763 -16.978 -21.988 1.00 72.54 C ATOM 1008 OD1 ASN A 64 18.672 -17.481 -22.649 1.00 74.33 O ATOM 1009 ND2 ASN A 64 17.987 -16.150 -20.975 1.00 51.12 N ATOM 0 H ASN A 64 15.972 -14.507 -22.700 1.00 12.00 H new ATOM 0 HA ASN A 64 16.070 -16.918 -24.406 1.00 41.21 H new ATOM 0 HB2 ASN A 64 15.703 -17.099 -21.416 1.00 50.41 H new ATOM 0 HB3 ASN A 64 16.210 -18.344 -22.542 1.00 50.41 H new ATOM 0 HD21 ASN A 64 18.943 -15.907 -20.717 1.00 51.12 H new ATOM 0 HD22 ASN A 64 17.203 -15.757 -20.455 1.00 51.12 H new ATOM 1016 N ALA A 65 13.705 -15.194 -23.591 1.00 70.41 N ATOM 1017 CA ALA A 65 12.260 -15.004 -23.563 1.00 61.31 C ATOM 1018 C ALA A 65 11.700 -14.847 -24.973 1.00 34.54 C ATOM 1019 O ALA A 65 11.835 -13.792 -25.591 1.00 23.22 O ATOM 1020 CB ALA A 65 11.903 -13.793 -22.713 1.00 64.55 C ATOM 0 H ALA A 65 14.239 -14.341 -23.759 1.00 70.41 H new ATOM 0 HA ALA A 65 11.810 -15.891 -23.118 1.00 61.31 H new ATOM 0 HB1 ALA A 65 10.821 -13.663 -22.701 1.00 64.55 H new ATOM 0 HB2 ALA A 65 12.262 -13.945 -21.695 1.00 64.55 H new ATOM 0 HB3 ALA A 65 12.371 -12.903 -23.133 1.00 64.55 H new ATOM 1026 N ALA A 66 11.070 -15.905 -25.475 1.00 41.40 N ATOM 1027 CA ALA A 66 10.488 -15.883 -26.811 1.00 60.32 C ATOM 1028 C ALA A 66 8.978 -15.680 -26.749 1.00 40.01 C ATOM 1029 O ALA A 66 8.206 -16.613 -26.976 1.00 12.45 O ATOM 1030 CB ALA A 66 10.819 -17.171 -27.552 1.00 2.53 C ATOM 0 H ALA A 66 10.950 -16.787 -24.977 1.00 41.40 H new ATOM 0 HA ALA A 66 10.919 -15.042 -27.354 1.00 60.32 H new ATOM 0 HB1 ALA A 66 10.378 -17.141 -28.548 1.00 2.53 H new ATOM 0 HB2 ALA A 66 11.901 -17.274 -27.637 1.00 2.53 H new ATOM 0 HB3 ALA A 66 10.415 -18.021 -27.002 1.00 2.53 H new ATOM 1036 N LEU A 67 8.563 -14.456 -26.440 1.00 72.53 N ATOM 1037 CA LEU A 67 7.144 -14.131 -26.348 1.00 11.34 C ATOM 1038 C LEU A 67 6.757 -13.082 -27.385 1.00 40.24 C ATOM 1039 O LEU A 67 7.617 -12.506 -28.053 1.00 73.50 O ATOM 1040 CB LEU A 67 6.807 -13.624 -24.944 1.00 23.30 C ATOM 1041 CG LEU A 67 7.089 -12.145 -24.679 1.00 11.12 C ATOM 1042 CD1 LEU A 67 8.499 -11.783 -25.119 1.00 11.35 C ATOM 1043 CD2 LEU A 67 6.066 -11.271 -25.390 1.00 34.43 C ATOM 0 H LEU A 67 9.188 -13.673 -26.249 1.00 72.53 H new ATOM 0 HA LEU A 67 6.575 -15.039 -26.547 1.00 11.34 H new ATOM 0 HB2 LEU A 67 5.750 -13.811 -24.756 1.00 23.30 H new ATOM 0 HB3 LEU A 67 7.369 -14.216 -24.221 1.00 23.30 H new ATOM 0 HG LEU A 67 7.008 -11.966 -23.607 1.00 11.12 H new ATOM 0 HD11 LEU A 67 8.681 -10.726 -24.923 1.00 11.35 H new ATOM 0 HD12 LEU A 67 9.219 -12.385 -24.564 1.00 11.35 H new ATOM 0 HD13 LEU A 67 8.609 -11.978 -26.186 1.00 11.35 H new ATOM 0 HD21 LEU A 67 6.282 -10.222 -25.190 1.00 34.43 H new ATOM 0 HD22 LEU A 67 6.115 -11.453 -26.464 1.00 34.43 H new ATOM 0 HD23 LEU A 67 5.067 -11.511 -25.026 1.00 34.43 H new ATOM 1055 N LYS A 68 5.458 -12.836 -27.515 1.00 33.04 N ATOM 1056 CA LYS A 68 4.955 -11.854 -28.468 1.00 4.20 C ATOM 1057 C LYS A 68 3.591 -11.325 -28.036 1.00 44.24 C ATOM 1058 O LYS A 68 2.824 -12.026 -27.376 1.00 2.21 O ATOM 1059 CB LYS A 68 4.856 -12.472 -29.864 1.00 71.42 C ATOM 1060 CG LYS A 68 4.001 -13.727 -29.914 1.00 64.20 C ATOM 1061 CD LYS A 68 4.856 -14.981 -29.997 1.00 51.25 C ATOM 1062 CE LYS A 68 4.636 -15.719 -31.309 1.00 50.11 C ATOM 1063 NZ LYS A 68 5.205 -17.095 -31.273 1.00 55.24 N ATOM 0 H LYS A 68 4.733 -13.304 -26.971 1.00 33.04 H new ATOM 0 HA LYS A 68 5.656 -11.020 -28.496 1.00 4.20 H new ATOM 0 HB2 LYS A 68 4.443 -11.733 -30.551 1.00 71.42 H new ATOM 0 HB3 LYS A 68 5.859 -12.711 -30.218 1.00 71.42 H new ATOM 0 HG2 LYS A 68 3.370 -13.774 -29.027 1.00 64.20 H new ATOM 0 HG3 LYS A 68 3.336 -13.681 -30.776 1.00 64.20 H new ATOM 0 HD2 LYS A 68 5.908 -14.712 -29.901 1.00 51.25 H new ATOM 0 HD3 LYS A 68 4.618 -15.641 -29.163 1.00 51.25 H new ATOM 0 HE2 LYS A 68 3.568 -15.773 -31.521 1.00 50.11 H new ATOM 0 HE3 LYS A 68 5.094 -15.157 -32.123 1.00 50.11 H new ATOM 0 HZ1 LYS A 68 5.035 -17.565 -32.185 1.00 55.24 H new ATOM 0 HZ2 LYS A 68 6.229 -17.043 -31.096 1.00 55.24 H new ATOM 0 HZ3 LYS A 68 4.750 -17.639 -30.513 1.00 55.24 H new ATOM 1077 N ILE A 69 3.296 -10.086 -28.415 1.00 14.11 N ATOM 1078 CA ILE A 69 2.023 -9.465 -28.069 1.00 30.32 C ATOM 1079 C ILE A 69 0.928 -10.513 -27.900 1.00 61.22 C ATOM 1080 O ILE A 69 0.577 -11.217 -28.846 1.00 52.12 O ATOM 1081 CB ILE A 69 1.584 -8.448 -29.138 1.00 53.32 C ATOM 1082 CG1 ILE A 69 2.567 -7.277 -29.194 1.00 1.23 C ATOM 1083 CG2 ILE A 69 0.175 -7.950 -28.849 1.00 63.31 C ATOM 1084 CD1 ILE A 69 2.208 -6.142 -28.261 1.00 2.53 C ATOM 0 H ILE A 69 3.921 -9.493 -28.961 1.00 14.11 H new ATOM 0 HA ILE A 69 2.173 -8.944 -27.123 1.00 30.32 H new ATOM 0 HB ILE A 69 1.582 -8.943 -30.109 1.00 53.32 H new ATOM 0 HG12 ILE A 69 3.565 -7.639 -28.946 1.00 1.23 H new ATOM 0 HG13 ILE A 69 2.610 -6.898 -30.215 1.00 1.23 H new ATOM 0 HG21 ILE A 69 -0.121 -7.232 -29.614 1.00 63.31 H new ATOM 0 HG22 ILE A 69 -0.517 -8.792 -28.855 1.00 63.31 H new ATOM 0 HG23 ILE A 69 0.153 -7.469 -27.871 1.00 63.31 H new ATOM 0 HD11 ILE A 69 2.948 -5.347 -28.354 1.00 2.53 H new ATOM 0 HD12 ILE A 69 1.224 -5.754 -28.522 1.00 2.53 H new ATOM 0 HD13 ILE A 69 2.193 -6.506 -27.234 1.00 2.53 H new ATOM 1096 N GLY A 70 0.391 -10.610 -26.688 1.00 34.11 N ATOM 1097 CA GLY A 70 -0.660 -11.573 -26.417 1.00 75.42 C ATOM 1098 C GLY A 70 -0.295 -12.532 -25.301 1.00 70.15 C ATOM 1099 O GLY A 70 -1.172 -13.092 -24.643 1.00 63.32 O ATOM 0 H GLY A 70 0.665 -10.039 -25.889 1.00 34.11 H new ATOM 0 HA2 GLY A 70 -1.575 -11.043 -26.151 1.00 75.42 H new ATOM 0 HA3 GLY A 70 -0.872 -12.140 -27.324 1.00 75.42 H new ATOM 1103 N ASP A 71 1.002 -12.723 -25.089 1.00 3.11 N ATOM 1104 CA ASP A 71 1.482 -13.621 -24.045 1.00 61.53 C ATOM 1105 C ASP A 71 1.098 -13.103 -22.663 1.00 74.20 C ATOM 1106 O ASP A 71 0.387 -12.105 -22.537 1.00 65.24 O ATOM 1107 CB ASP A 71 3.000 -13.782 -24.139 1.00 61.23 C ATOM 1108 CG ASP A 71 3.405 -15.098 -24.774 1.00 32.43 C ATOM 1109 OD1 ASP A 71 2.640 -15.610 -25.618 1.00 13.34 O ATOM 1110 OD2 ASP A 71 4.486 -15.618 -24.426 1.00 2.45 O ATOM 0 H ASP A 71 1.740 -12.268 -25.626 1.00 3.11 H new ATOM 0 HA ASP A 71 1.011 -14.593 -24.192 1.00 61.53 H new ATOM 0 HB2 ASP A 71 3.414 -12.959 -24.721 1.00 61.23 H new ATOM 0 HB3 ASP A 71 3.432 -13.716 -23.140 1.00 61.23 H new ATOM 1115 N LYS A 72 1.570 -13.788 -21.627 1.00 64.24 N ATOM 1116 CA LYS A 72 1.277 -13.398 -20.253 1.00 62.33 C ATOM 1117 C LYS A 72 2.494 -13.606 -19.357 1.00 60.23 C ATOM 1118 O LYS A 72 3.457 -14.268 -19.746 1.00 40.45 O ATOM 1119 CB LYS A 72 0.091 -14.202 -19.715 1.00 42.14 C ATOM 1120 CG LYS A 72 -1.252 -13.532 -19.947 1.00 34.41 C ATOM 1121 CD LYS A 72 -2.209 -14.446 -20.695 1.00 11.41 C ATOM 1122 CE LYS A 72 -3.179 -13.651 -21.557 1.00 25.52 C ATOM 1123 NZ LYS A 72 -4.247 -14.516 -22.130 1.00 12.21 N ATOM 0 H LYS A 72 2.158 -14.617 -21.713 1.00 64.24 H new ATOM 0 HA LYS A 72 1.022 -12.338 -20.249 1.00 62.33 H new ATOM 0 HB2 LYS A 72 0.084 -15.184 -20.188 1.00 42.14 H new ATOM 0 HB3 LYS A 72 0.227 -14.364 -18.646 1.00 42.14 H new ATOM 0 HG2 LYS A 72 -1.690 -13.251 -18.989 1.00 34.41 H new ATOM 0 HG3 LYS A 72 -1.108 -12.612 -20.514 1.00 34.41 H new ATOM 0 HD2 LYS A 72 -1.642 -15.133 -21.323 1.00 11.41 H new ATOM 0 HD3 LYS A 72 -2.767 -15.052 -19.982 1.00 11.41 H new ATOM 0 HE2 LYS A 72 -3.633 -12.861 -20.959 1.00 25.52 H new ATOM 0 HE3 LYS A 72 -2.633 -13.165 -22.365 1.00 25.52 H new ATOM 0 HZ1 LYS A 72 -4.888 -13.938 -22.711 1.00 12.21 H new ATOM 0 HZ2 LYS A 72 -3.815 -15.255 -22.721 1.00 12.21 H new ATOM 0 HZ3 LYS A 72 -4.785 -14.960 -21.359 1.00 12.21 H new ATOM 1137 N ILE A 73 2.443 -13.039 -18.157 1.00 31.12 N ATOM 1138 CA ILE A 73 3.540 -13.165 -17.206 1.00 21.24 C ATOM 1139 C ILE A 73 3.020 -13.254 -15.775 1.00 12.31 C ATOM 1140 O ILE A 73 2.040 -12.599 -15.418 1.00 21.01 O ATOM 1141 CB ILE A 73 4.517 -11.979 -17.312 1.00 72.23 C ATOM 1142 CG1 ILE A 73 5.143 -11.930 -18.707 1.00 61.14 C ATOM 1143 CG2 ILE A 73 5.596 -12.084 -16.245 1.00 13.12 C ATOM 1144 CD1 ILE A 73 6.063 -10.747 -18.915 1.00 70.45 C ATOM 0 H ILE A 73 1.654 -12.488 -17.820 1.00 31.12 H new ATOM 0 HA ILE A 73 4.069 -14.085 -17.456 1.00 21.24 H new ATOM 0 HB ILE A 73 3.962 -11.055 -17.150 1.00 72.23 H new ATOM 0 HG12 ILE A 73 5.703 -12.850 -18.878 1.00 61.14 H new ATOM 0 HG13 ILE A 73 4.348 -11.897 -19.452 1.00 61.14 H new ATOM 0 HG21 ILE A 73 6.278 -11.239 -16.333 1.00 13.12 H new ATOM 0 HG22 ILE A 73 5.134 -12.076 -15.258 1.00 13.12 H new ATOM 0 HG23 ILE A 73 6.150 -13.013 -16.378 1.00 13.12 H new ATOM 0 HD11 ILE A 73 6.471 -10.776 -19.925 1.00 70.45 H new ATOM 0 HD12 ILE A 73 5.503 -9.822 -18.776 1.00 70.45 H new ATOM 0 HD13 ILE A 73 6.879 -10.789 -18.193 1.00 70.45 H new ATOM 1156 N TYR A 74 3.683 -14.066 -14.959 1.00 50.15 N ATOM 1157 CA TYR A 74 3.288 -14.241 -13.567 1.00 15.30 C ATOM 1158 C TYR A 74 4.508 -14.450 -12.676 1.00 42.21 C ATOM 1159 O TYR A 74 5.099 -15.530 -12.655 1.00 74.13 O ATOM 1160 CB TYR A 74 2.334 -15.429 -13.431 1.00 54.32 C ATOM 1161 CG TYR A 74 1.527 -15.704 -14.680 1.00 43.23 C ATOM 1162 CD1 TYR A 74 0.323 -15.050 -14.912 1.00 3.35 C ATOM 1163 CD2 TYR A 74 1.969 -16.618 -15.629 1.00 33.12 C ATOM 1164 CE1 TYR A 74 -0.417 -15.298 -16.051 1.00 72.20 C ATOM 1165 CE2 TYR A 74 1.236 -16.872 -16.772 1.00 14.33 C ATOM 1166 CZ TYR A 74 0.043 -16.210 -16.978 1.00 43.43 C ATOM 1167 OH TYR A 74 -0.691 -16.461 -18.115 1.00 4.51 O ATOM 0 H TYR A 74 4.497 -14.614 -15.238 1.00 50.15 H new ATOM 0 HA TYR A 74 2.777 -13.334 -13.245 1.00 15.30 H new ATOM 0 HB2 TYR A 74 2.910 -16.319 -13.177 1.00 54.32 H new ATOM 0 HB3 TYR A 74 1.652 -15.243 -12.601 1.00 54.32 H new ATOM 0 HD1 TYR A 74 -0.040 -14.335 -14.189 1.00 3.35 H new ATOM 0 HD2 TYR A 74 2.902 -17.139 -15.470 1.00 33.12 H new ATOM 0 HE1 TYR A 74 -1.351 -14.781 -16.215 1.00 72.20 H new ATOM 0 HE2 TYR A 74 1.595 -17.585 -17.500 1.00 14.33 H new ATOM 0 HH TYR A 74 -0.227 -17.127 -18.664 1.00 4.51 H new ATOM 1177 N PHE A 75 4.881 -13.408 -11.940 1.00 52.01 N ATOM 1178 CA PHE A 75 6.031 -13.475 -11.047 1.00 23.54 C ATOM 1179 C PHE A 75 6.076 -12.260 -10.125 1.00 21.21 C ATOM 1180 O PHE A 75 5.081 -11.555 -9.962 1.00 15.23 O ATOM 1181 CB PHE A 75 7.327 -13.565 -11.855 1.00 43.40 C ATOM 1182 CG PHE A 75 7.776 -12.245 -12.415 1.00 24.21 C ATOM 1183 CD1 PHE A 75 6.907 -11.459 -13.154 1.00 31.04 C ATOM 1184 CD2 PHE A 75 9.068 -11.791 -12.202 1.00 51.12 C ATOM 1185 CE1 PHE A 75 7.318 -10.245 -13.671 1.00 20.05 C ATOM 1186 CE2 PHE A 75 9.485 -10.577 -12.716 1.00 73.43 C ATOM 1187 CZ PHE A 75 8.608 -9.803 -13.451 1.00 20.14 C ATOM 0 H PHE A 75 4.403 -12.507 -11.945 1.00 52.01 H new ATOM 0 HA PHE A 75 5.931 -14.370 -10.434 1.00 23.54 H new ATOM 0 HB2 PHE A 75 8.115 -13.968 -11.219 1.00 43.40 H new ATOM 0 HB3 PHE A 75 7.187 -14.270 -12.675 1.00 43.40 H new ATOM 0 HD1 PHE A 75 5.897 -11.799 -13.328 1.00 31.04 H new ATOM 0 HD2 PHE A 75 9.757 -12.392 -11.628 1.00 51.12 H new ATOM 0 HE1 PHE A 75 6.631 -9.642 -14.247 1.00 20.05 H new ATOM 0 HE2 PHE A 75 10.495 -10.234 -12.543 1.00 73.43 H new ATOM 0 HZ PHE A 75 8.930 -8.854 -13.853 1.00 20.14 H new ATOM 1197 N TRP A 76 7.237 -12.023 -9.525 1.00 71.10 N ATOM 1198 CA TRP A 76 7.412 -10.894 -8.619 1.00 1.41 C ATOM 1199 C TRP A 76 8.832 -10.344 -8.702 1.00 52.03 C ATOM 1200 O TRP A 76 9.687 -10.906 -9.387 1.00 43.02 O ATOM 1201 CB TRP A 76 7.098 -11.313 -7.182 1.00 12.31 C ATOM 1202 CG TRP A 76 7.791 -12.575 -6.766 1.00 4.40 C ATOM 1203 CD1 TRP A 76 7.622 -13.819 -7.304 1.00 13.55 C ATOM 1204 CD2 TRP A 76 8.763 -12.715 -5.724 1.00 11.13 C ATOM 1205 NE1 TRP A 76 8.429 -14.724 -6.658 1.00 42.21 N ATOM 1206 CE2 TRP A 76 9.140 -14.072 -5.686 1.00 11.35 C ATOM 1207 CE3 TRP A 76 9.353 -11.827 -4.821 1.00 14.54 C ATOM 1208 CZ2 TRP A 76 10.078 -14.558 -4.779 1.00 20.01 C ATOM 1209 CZ3 TRP A 76 10.283 -12.311 -3.921 1.00 43.22 C ATOM 1210 CH2 TRP A 76 10.639 -13.666 -3.906 1.00 63.01 C ATOM 0 H TRP A 76 8.071 -12.597 -9.650 1.00 71.10 H new ATOM 0 HA TRP A 76 6.720 -10.108 -8.921 1.00 1.41 H new ATOM 0 HB2 TRP A 76 7.387 -10.509 -6.505 1.00 12.31 H new ATOM 0 HB3 TRP A 76 6.021 -11.447 -7.077 1.00 12.31 H new ATOM 0 HD1 TRP A 76 6.952 -14.056 -8.118 1.00 13.55 H new ATOM 0 HE1 TRP A 76 8.489 -15.720 -6.868 1.00 42.21 H new ATOM 0 HE3 TRP A 76 9.087 -10.780 -4.826 1.00 14.54 H new ATOM 0 HZ2 TRP A 76 10.353 -15.602 -4.765 1.00 20.01 H new ATOM 0 HZ3 TRP A 76 10.743 -11.633 -3.217 1.00 43.22 H new ATOM 0 HH2 TRP A 76 11.371 -14.013 -3.191 1.00 63.01 H new ATOM 1221 N THR A 77 9.077 -9.242 -8.001 1.00 5.32 N ATOM 1222 CA THR A 77 10.394 -8.616 -7.997 1.00 14.24 C ATOM 1223 C THR A 77 10.769 -8.135 -6.600 1.00 3.13 C ATOM 1224 O THR A 77 9.904 -7.934 -5.747 1.00 74.55 O ATOM 1225 CB THR A 77 10.452 -7.424 -8.970 1.00 50.25 C ATOM 1226 OG1 THR A 77 9.216 -6.701 -8.935 1.00 24.03 O ATOM 1227 CG2 THR A 77 10.727 -7.897 -10.390 1.00 23.54 C ATOM 0 H THR A 77 8.381 -8.764 -7.429 1.00 5.32 H new ATOM 0 HA THR A 77 11.106 -9.375 -8.321 1.00 14.24 H new ATOM 0 HB THR A 77 11.265 -6.769 -8.657 1.00 50.25 H new ATOM 0 HG1 THR A 77 9.262 -5.944 -9.555 1.00 24.03 H new ATOM 0 HG21 THR A 77 10.763 -7.037 -11.059 1.00 23.54 H new ATOM 0 HG22 THR A 77 11.682 -8.421 -10.420 1.00 23.54 H new ATOM 0 HG23 THR A 77 9.933 -8.572 -10.709 1.00 23.54 H new ATOM 1235 N PHE A 78 12.065 -7.951 -6.371 1.00 44.30 N ATOM 1236 CA PHE A 78 12.556 -7.493 -5.076 1.00 72.12 C ATOM 1237 C PHE A 78 13.361 -6.206 -5.224 1.00 4.32 C ATOM 1238 O PHE A 78 13.987 -5.966 -6.257 1.00 22.53 O ATOM 1239 CB PHE A 78 13.417 -8.575 -4.422 1.00 24.10 C ATOM 1240 CG PHE A 78 12.952 -8.962 -3.048 1.00 31.55 C ATOM 1241 CD1 PHE A 78 11.698 -9.521 -2.858 1.00 52.42 C ATOM 1242 CD2 PHE A 78 13.768 -8.769 -1.945 1.00 23.20 C ATOM 1243 CE1 PHE A 78 11.267 -9.877 -1.594 1.00 72.14 C ATOM 1244 CE2 PHE A 78 13.343 -9.124 -0.679 1.00 31.33 C ATOM 1245 CZ PHE A 78 12.091 -9.680 -0.504 1.00 13.15 C ATOM 0 H PHE A 78 12.795 -8.112 -7.065 1.00 44.30 H new ATOM 0 HA PHE A 78 11.695 -7.290 -4.440 1.00 72.12 H new ATOM 0 HB2 PHE A 78 13.420 -9.460 -5.059 1.00 24.10 H new ATOM 0 HB3 PHE A 78 14.447 -8.222 -4.362 1.00 24.10 H new ATOM 0 HD1 PHE A 78 11.050 -9.680 -3.707 1.00 52.42 H new ATOM 0 HD2 PHE A 78 14.748 -8.336 -2.076 1.00 23.20 H new ATOM 0 HE1 PHE A 78 10.286 -10.309 -1.459 1.00 72.14 H new ATOM 0 HE2 PHE A 78 13.989 -8.967 0.172 1.00 31.33 H new ATOM 0 HZ PHE A 78 11.757 -9.960 0.484 1.00 13.15 H new ATOM 1255 N VAL A 79 13.340 -5.379 -4.183 1.00 44.22 N ATOM 1256 CA VAL A 79 14.069 -4.116 -4.195 1.00 54.35 C ATOM 1257 C VAL A 79 14.559 -3.750 -2.799 1.00 33.41 C ATOM 1258 O VAL A 79 14.242 -4.429 -1.822 1.00 20.43 O ATOM 1259 CB VAL A 79 13.194 -2.969 -4.737 1.00 63.11 C ATOM 1260 CG1 VAL A 79 13.320 -2.870 -6.250 1.00 23.03 C ATOM 1261 CG2 VAL A 79 11.743 -3.167 -4.327 1.00 11.34 C ATOM 0 H VAL A 79 12.826 -5.561 -3.321 1.00 44.22 H new ATOM 0 HA VAL A 79 14.927 -4.252 -4.853 1.00 54.35 H new ATOM 0 HB VAL A 79 13.545 -2.032 -4.305 1.00 63.11 H new ATOM 0 HG11 VAL A 79 12.695 -2.055 -6.615 1.00 23.03 H new ATOM 0 HG12 VAL A 79 14.359 -2.678 -6.517 1.00 23.03 H new ATOM 0 HG13 VAL A 79 12.996 -3.806 -6.704 1.00 23.03 H new ATOM 0 HG21 VAL A 79 11.139 -2.348 -4.718 1.00 11.34 H new ATOM 0 HG22 VAL A 79 11.377 -4.112 -4.729 1.00 11.34 H new ATOM 0 HG23 VAL A 79 11.671 -3.183 -3.239 1.00 11.34 H new ATOM 1271 N ILE A 80 15.332 -2.674 -2.712 1.00 44.44 N ATOM 1272 CA ILE A 80 15.865 -2.217 -1.435 1.00 21.03 C ATOM 1273 C ILE A 80 16.066 -0.705 -1.432 1.00 25.53 C ATOM 1274 O ILE A 80 17.090 -0.203 -1.897 1.00 31.23 O ATOM 1275 CB ILE A 80 17.204 -2.903 -1.106 1.00 3.33 C ATOM 1276 CG1 ILE A 80 17.018 -4.419 -1.020 1.00 3.04 C ATOM 1277 CG2 ILE A 80 17.772 -2.358 0.197 1.00 60.53 C ATOM 1278 CD1 ILE A 80 18.310 -5.175 -0.798 1.00 52.44 C ATOM 0 H ILE A 80 15.604 -2.102 -3.511 1.00 44.44 H new ATOM 0 HA ILE A 80 15.133 -2.485 -0.673 1.00 21.03 H new ATOM 0 HB ILE A 80 17.912 -2.688 -1.906 1.00 3.33 H new ATOM 0 HG12 ILE A 80 16.329 -4.647 -0.207 1.00 3.04 H new ATOM 0 HG13 ILE A 80 16.553 -4.773 -1.940 1.00 3.04 H new ATOM 0 HG21 ILE A 80 18.718 -2.852 0.416 1.00 60.53 H new ATOM 0 HG22 ILE A 80 17.937 -1.285 0.101 1.00 60.53 H new ATOM 0 HG23 ILE A 80 17.068 -2.546 1.008 1.00 60.53 H new ATOM 0 HD11 ILE A 80 18.102 -6.244 -0.747 1.00 52.44 H new ATOM 0 HD12 ILE A 80 18.994 -4.977 -1.623 1.00 52.44 H new ATOM 0 HD13 ILE A 80 18.766 -4.849 0.137 1.00 52.44 H new ATOM 1290 N LYS A 81 15.084 0.016 -0.903 1.00 32.31 N ATOM 1291 CA LYS A 81 15.153 1.471 -0.835 1.00 72.44 C ATOM 1292 C LYS A 81 15.252 1.944 0.611 1.00 3.02 C ATOM 1293 O LYS A 81 14.379 1.656 1.430 1.00 23.31 O ATOM 1294 CB LYS A 81 13.924 2.092 -1.503 1.00 34.51 C ATOM 1295 CG LYS A 81 13.672 3.532 -1.093 1.00 55.21 C ATOM 1296 CD LYS A 81 12.306 4.013 -1.555 1.00 70.41 C ATOM 1297 CE LYS A 81 12.098 5.487 -1.242 1.00 65.53 C ATOM 1298 NZ LYS A 81 11.247 5.683 -0.037 1.00 11.14 N ATOM 0 H LYS A 81 14.230 -0.384 -0.515 1.00 32.31 H new ATOM 0 HA LYS A 81 16.049 1.792 -1.366 1.00 72.44 H new ATOM 0 HB2 LYS A 81 14.047 2.047 -2.585 1.00 34.51 H new ATOM 0 HB3 LYS A 81 13.046 1.494 -1.257 1.00 34.51 H new ATOM 0 HG2 LYS A 81 13.742 3.620 -0.009 1.00 55.21 H new ATOM 0 HG3 LYS A 81 14.446 4.172 -1.516 1.00 55.21 H new ATOM 0 HD2 LYS A 81 12.206 3.850 -2.628 1.00 70.41 H new ATOM 0 HD3 LYS A 81 11.528 3.424 -1.069 1.00 70.41 H new ATOM 0 HE2 LYS A 81 13.065 5.965 -1.085 1.00 65.53 H new ATOM 0 HE3 LYS A 81 11.635 5.978 -2.098 1.00 65.53 H new ATOM 0 HZ1 LYS A 81 11.129 6.701 0.143 1.00 11.14 H new ATOM 0 HZ2 LYS A 81 10.315 5.249 -0.196 1.00 11.14 H new ATOM 0 HZ3 LYS A 81 11.701 5.237 0.785 1.00 11.14 H new ATOM 1312 N ASP A 82 16.320 2.673 0.918 1.00 31.53 N ATOM 1313 CA ASP A 82 16.532 3.188 2.266 1.00 52.22 C ATOM 1314 C ASP A 82 16.663 2.047 3.270 1.00 43.32 C ATOM 1315 O ASP A 82 16.267 2.177 4.427 1.00 32.42 O ATOM 1316 CB ASP A 82 15.379 4.109 2.670 1.00 44.25 C ATOM 1317 CG ASP A 82 15.625 5.552 2.273 1.00 73.44 C ATOM 1318 OD1 ASP A 82 15.830 5.809 1.068 1.00 52.23 O ATOM 1319 OD2 ASP A 82 15.611 6.423 3.167 1.00 53.14 O ATOM 0 H ASP A 82 17.052 2.920 0.252 1.00 31.53 H new ATOM 0 HA ASP A 82 17.461 3.758 2.268 1.00 52.22 H new ATOM 0 HB2 ASP A 82 14.458 3.759 2.204 1.00 44.25 H new ATOM 0 HB3 ASP A 82 15.233 4.052 3.749 1.00 44.25 H new ATOM 1324 N GLY A 83 17.222 0.929 2.817 1.00 23.25 N ATOM 1325 CA GLY A 83 17.395 -0.219 3.688 1.00 32.14 C ATOM 1326 C GLY A 83 16.082 -0.716 4.259 1.00 34.50 C ATOM 1327 O GLY A 83 16.032 -1.204 5.389 1.00 30.02 O ATOM 0 H GLY A 83 17.558 0.798 1.863 1.00 23.25 H new ATOM 0 HA2 GLY A 83 17.874 -1.025 3.131 1.00 32.14 H new ATOM 0 HA3 GLY A 83 18.066 0.046 4.505 1.00 32.14 H new ATOM 1331 N LEU A 84 15.014 -0.593 3.478 1.00 43.51 N ATOM 1332 CA LEU A 84 13.693 -1.032 3.912 1.00 11.05 C ATOM 1333 C LEU A 84 13.354 -2.399 3.327 1.00 30.23 C ATOM 1334 O LEU A 84 13.050 -3.341 4.058 1.00 4.14 O ATOM 1335 CB LEU A 84 12.632 -0.010 3.499 1.00 63.34 C ATOM 1336 CG LEU A 84 12.410 1.155 4.463 1.00 4.14 C ATOM 1337 CD1 LEU A 84 12.174 2.446 3.695 1.00 15.14 C ATOM 1338 CD2 LEU A 84 11.241 0.863 5.393 1.00 64.03 C ATOM 0 H LEU A 84 15.038 -0.192 2.540 1.00 43.51 H new ATOM 0 HA LEU A 84 13.704 -1.115 4.999 1.00 11.05 H new ATOM 0 HB2 LEU A 84 12.908 0.397 2.526 1.00 63.34 H new ATOM 0 HB3 LEU A 84 11.684 -0.533 3.368 1.00 63.34 H new ATOM 0 HG LEU A 84 13.308 1.276 5.069 1.00 4.14 H new ATOM 0 HD11 LEU A 84 12.018 3.264 4.398 1.00 15.14 H new ATOM 0 HD12 LEU A 84 13.042 2.663 3.073 1.00 15.14 H new ATOM 0 HD13 LEU A 84 11.293 2.337 3.063 1.00 15.14 H new ATOM 0 HD21 LEU A 84 11.098 1.703 6.072 1.00 64.03 H new ATOM 0 HD22 LEU A 84 10.336 0.714 4.804 1.00 64.03 H new ATOM 0 HD23 LEU A 84 11.451 -0.038 5.970 1.00 64.03 H new ATOM 1350 N GLY A 85 13.410 -2.501 2.003 1.00 41.14 N ATOM 1351 CA GLY A 85 13.109 -3.757 1.342 1.00 72.23 C ATOM 1352 C GLY A 85 11.666 -3.840 0.883 1.00 3.32 C ATOM 1353 O GLY A 85 10.750 -3.900 1.703 1.00 54.11 O ATOM 0 H GLY A 85 13.659 -1.736 1.376 1.00 41.14 H new ATOM 0 HA2 GLY A 85 13.768 -3.879 0.482 1.00 72.23 H new ATOM 0 HA3 GLY A 85 13.318 -4.582 2.023 1.00 72.23 H new ATOM 1357 N TYR A 86 11.464 -3.841 -0.430 1.00 12.24 N ATOM 1358 CA TYR A 86 10.122 -3.912 -0.996 1.00 21.11 C ATOM 1359 C TYR A 86 10.012 -5.061 -1.993 1.00 61.24 C ATOM 1360 O TYR A 86 11.020 -5.606 -2.443 1.00 23.52 O ATOM 1361 CB TYR A 86 9.764 -2.592 -1.680 1.00 51.13 C ATOM 1362 CG TYR A 86 9.549 -1.448 -0.715 1.00 31.21 C ATOM 1363 CD1 TYR A 86 10.616 -0.888 -0.023 1.00 34.03 C ATOM 1364 CD2 TYR A 86 8.280 -0.928 -0.494 1.00 75.52 C ATOM 1365 CE1 TYR A 86 10.424 0.157 0.861 1.00 61.41 C ATOM 1366 CE2 TYR A 86 8.079 0.117 0.386 1.00 31.13 C ATOM 1367 CZ TYR A 86 9.154 0.656 1.062 1.00 61.25 C ATOM 1368 OH TYR A 86 8.958 1.696 1.941 1.00 41.24 O ATOM 0 H TYR A 86 12.212 -3.793 -1.122 1.00 12.24 H new ATOM 0 HA TYR A 86 9.420 -4.093 -0.182 1.00 21.11 H new ATOM 0 HB2 TYR A 86 10.560 -2.325 -2.375 1.00 51.13 H new ATOM 0 HB3 TYR A 86 8.859 -2.733 -2.271 1.00 51.13 H new ATOM 0 HD1 TYR A 86 11.612 -1.276 -0.179 1.00 34.03 H new ATOM 0 HD2 TYR A 86 7.436 -1.349 -1.020 1.00 75.52 H new ATOM 0 HE1 TYR A 86 11.264 0.581 1.392 1.00 61.41 H new ATOM 0 HE2 TYR A 86 7.086 0.510 0.544 1.00 31.13 H new ATOM 0 HH TYR A 86 8.006 1.929 1.966 1.00 41.24 H new ATOM 1378 N ARG A 87 8.780 -5.423 -2.335 1.00 70.34 N ATOM 1379 CA ARG A 87 8.536 -6.508 -3.279 1.00 45.52 C ATOM 1380 C ARG A 87 7.206 -6.312 -4.000 1.00 70.13 C ATOM 1381 O ARG A 87 6.206 -5.941 -3.387 1.00 32.34 O ATOM 1382 CB ARG A 87 8.543 -7.854 -2.554 1.00 34.41 C ATOM 1383 CG ARG A 87 7.871 -8.971 -3.337 1.00 2.11 C ATOM 1384 CD ARG A 87 6.421 -9.151 -2.917 1.00 73.25 C ATOM 1385 NE ARG A 87 6.303 -9.595 -1.531 1.00 70.11 N ATOM 1386 CZ ARG A 87 5.169 -9.556 -0.841 1.00 11.44 C ATOM 1387 NH1 ARG A 87 4.061 -9.095 -1.405 1.00 30.30 N ATOM 1388 NH2 ARG A 87 5.141 -9.978 0.417 1.00 4.41 N ATOM 0 H ARG A 87 7.935 -4.981 -1.973 1.00 70.34 H new ATOM 0 HA ARG A 87 9.335 -6.499 -4.020 1.00 45.52 H new ATOM 0 HB2 ARG A 87 9.574 -8.138 -2.344 1.00 34.41 H new ATOM 0 HB3 ARG A 87 8.041 -7.742 -1.593 1.00 34.41 H new ATOM 0 HG2 ARG A 87 7.917 -8.748 -4.403 1.00 2.11 H new ATOM 0 HG3 ARG A 87 8.414 -9.903 -3.182 1.00 2.11 H new ATOM 0 HD2 ARG A 87 5.888 -8.209 -3.042 1.00 73.25 H new ATOM 0 HD3 ARG A 87 5.941 -9.878 -3.572 1.00 73.25 H new ATOM 0 HE ARG A 87 7.137 -9.955 -1.067 1.00 70.11 H new ATOM 0 HH11 ARG A 87 4.078 -8.769 -2.371 1.00 30.30 H new ATOM 0 HH12 ARG A 87 3.192 -9.066 -0.872 1.00 30.30 H new ATOM 0 HH21 ARG A 87 5.991 -10.333 0.855 1.00 4.41 H new ATOM 0 HH22 ARG A 87 4.269 -9.947 0.946 1.00 4.41 H new ATOM 1402 N GLN A 88 7.204 -6.564 -5.305 1.00 54.34 N ATOM 1403 CA GLN A 88 5.997 -6.414 -6.109 1.00 55.05 C ATOM 1404 C GLN A 88 5.199 -7.714 -6.141 1.00 50.53 C ATOM 1405 O GLN A 88 5.770 -8.803 -6.200 1.00 42.44 O ATOM 1406 CB GLN A 88 6.357 -5.988 -7.534 1.00 13.23 C ATOM 1407 CG GLN A 88 5.165 -5.506 -8.344 1.00 55.25 C ATOM 1408 CD GLN A 88 5.375 -4.121 -8.925 1.00 70.54 C ATOM 1409 OE1 GLN A 88 4.756 -3.151 -8.488 1.00 34.32 O ATOM 1410 NE2 GLN A 88 6.253 -4.022 -9.917 1.00 32.42 N ATOM 0 H GLN A 88 8.024 -6.873 -5.828 1.00 54.34 H new ATOM 0 HA GLN A 88 5.380 -5.641 -5.651 1.00 55.05 H new ATOM 0 HB2 GLN A 88 7.101 -5.193 -7.490 1.00 13.23 H new ATOM 0 HB3 GLN A 88 6.820 -6.829 -8.050 1.00 13.23 H new ATOM 0 HG2 GLN A 88 4.972 -6.210 -9.154 1.00 55.25 H new ATOM 0 HG3 GLN A 88 4.279 -5.499 -7.710 1.00 55.25 H new ATOM 0 HE21 GLN A 88 6.744 -4.852 -10.248 1.00 32.42 H new ATOM 0 HE22 GLN A 88 6.436 -3.116 -10.347 1.00 32.42 H new ATOM 1419 N ASP A 89 3.877 -7.591 -6.101 1.00 72.44 N ATOM 1420 CA ASP A 89 3.000 -8.757 -6.126 1.00 42.44 C ATOM 1421 C ASP A 89 1.878 -8.571 -7.143 1.00 41.30 C ATOM 1422 O ASP A 89 1.363 -7.467 -7.319 1.00 20.54 O ATOM 1423 CB ASP A 89 2.411 -9.008 -4.738 1.00 14.33 C ATOM 1424 CG ASP A 89 1.532 -7.866 -4.266 1.00 42.55 C ATOM 1425 OD1 ASP A 89 0.504 -7.597 -4.923 1.00 44.05 O ATOM 1426 OD2 ASP A 89 1.872 -7.241 -3.240 1.00 51.32 O ATOM 0 H ASP A 89 3.389 -6.697 -6.051 1.00 72.44 H new ATOM 0 HA ASP A 89 3.594 -9.622 -6.422 1.00 42.44 H new ATOM 0 HB2 ASP A 89 1.827 -9.928 -4.755 1.00 14.33 H new ATOM 0 HB3 ASP A 89 3.221 -9.158 -4.024 1.00 14.33 H new ATOM 1431 N ASN A 90 1.505 -9.658 -7.811 1.00 4.23 N ATOM 1432 CA ASN A 90 0.445 -9.614 -8.811 1.00 63.24 C ATOM 1433 C ASN A 90 0.422 -10.898 -9.636 1.00 1.14 C ATOM 1434 O ASN A 90 -0.643 -11.399 -9.994 1.00 1.05 O ATOM 1435 CB ASN A 90 0.634 -8.407 -9.732 1.00 42.03 C ATOM 1436 CG ASN A 90 -0.521 -7.428 -9.646 1.00 4.31 C ATOM 1437 OD1 ASN A 90 -1.075 -7.014 -10.664 1.00 15.21 O ATOM 1438 ND2 ASN A 90 -0.888 -7.052 -8.426 1.00 63.22 N ATOM 0 H ASN A 90 1.921 -10.580 -7.678 1.00 4.23 H new ATOM 0 HA ASN A 90 -0.508 -9.520 -8.290 1.00 63.24 H new ATOM 0 HB2 ASN A 90 1.560 -7.896 -9.471 1.00 42.03 H new ATOM 0 HB3 ASN A 90 0.739 -8.751 -10.761 1.00 42.03 H new ATOM 0 HD21 ASN A 90 -1.658 -6.394 -8.305 1.00 63.22 H new ATOM 0 HD22 ASN A 90 -0.400 -7.421 -7.610 1.00 63.22 H new ATOM 1445 N GLY A 91 1.606 -11.426 -9.933 1.00 11.42 N ATOM 1446 CA GLY A 91 1.699 -12.646 -10.712 1.00 23.31 C ATOM 1447 C GLY A 91 0.702 -12.684 -11.853 1.00 0.31 C ATOM 1448 O GLY A 91 0.049 -13.701 -12.081 1.00 34.12 O ATOM 0 H GLY A 91 2.502 -11.030 -9.648 1.00 11.42 H new ATOM 0 HA2 GLY A 91 2.708 -12.741 -11.112 1.00 23.31 H new ATOM 0 HA3 GLY A 91 1.533 -13.503 -10.060 1.00 23.31 H new ATOM 1452 N GLU A 92 0.584 -11.571 -12.570 1.00 53.32 N ATOM 1453 CA GLU A 92 -0.344 -11.481 -13.692 1.00 4.41 C ATOM 1454 C GLU A 92 -0.079 -10.224 -14.517 1.00 70.50 C ATOM 1455 O GLU A 92 -0.414 -9.115 -14.102 1.00 42.12 O ATOM 1456 CB GLU A 92 -1.789 -11.479 -13.189 1.00 4.41 C ATOM 1457 CG GLU A 92 -2.820 -11.403 -14.302 1.00 34.23 C ATOM 1458 CD GLU A 92 -3.981 -10.489 -13.960 1.00 41.24 C ATOM 1459 OE1 GLU A 92 -4.448 -10.529 -12.803 1.00 42.40 O ATOM 1460 OE2 GLU A 92 -4.422 -9.733 -14.852 1.00 2.04 O ATOM 0 H GLU A 92 1.118 -10.720 -12.395 1.00 53.32 H new ATOM 0 HA GLU A 92 -0.190 -12.352 -14.329 1.00 4.41 H new ATOM 0 HB2 GLU A 92 -1.963 -12.383 -12.605 1.00 4.41 H new ATOM 0 HB3 GLU A 92 -1.930 -10.633 -12.516 1.00 4.41 H new ATOM 0 HG2 GLU A 92 -2.339 -11.048 -15.214 1.00 34.23 H new ATOM 0 HG3 GLU A 92 -3.199 -12.404 -14.510 1.00 34.23 H new ATOM 1467 N TRP A 93 0.524 -10.408 -15.686 1.00 20.11 N ATOM 1468 CA TRP A 93 0.835 -9.290 -16.570 1.00 15.05 C ATOM 1469 C TRP A 93 0.728 -9.706 -18.032 1.00 75.34 C ATOM 1470 O TRP A 93 1.586 -10.422 -18.550 1.00 1.23 O ATOM 1471 CB TRP A 93 2.239 -8.759 -16.279 1.00 41.51 C ATOM 1472 CG TRP A 93 2.344 -8.045 -14.965 1.00 63.31 C ATOM 1473 CD1 TRP A 93 1.811 -6.829 -14.648 1.00 11.31 C ATOM 1474 CD2 TRP A 93 3.027 -8.504 -13.793 1.00 74.31 C ATOM 1475 NE1 TRP A 93 2.121 -6.504 -13.349 1.00 54.22 N ATOM 1476 CE2 TRP A 93 2.865 -7.516 -12.803 1.00 11.42 C ATOM 1477 CE3 TRP A 93 3.757 -9.655 -13.483 1.00 55.11 C ATOM 1478 CZ2 TRP A 93 3.408 -7.644 -11.527 1.00 72.42 C ATOM 1479 CZ3 TRP A 93 4.295 -9.781 -12.217 1.00 30.03 C ATOM 1480 CH2 TRP A 93 4.118 -8.781 -11.251 1.00 71.11 C ATOM 0 H TRP A 93 0.807 -11.320 -16.044 1.00 20.11 H new ATOM 0 HA TRP A 93 0.109 -8.499 -16.383 1.00 15.05 H new ATOM 0 HB2 TRP A 93 2.944 -9.591 -16.290 1.00 41.51 H new ATOM 0 HB3 TRP A 93 2.536 -8.080 -17.078 1.00 41.51 H new ATOM 0 HD1 TRP A 93 1.231 -6.213 -15.319 1.00 11.31 H new ATOM 0 HE1 TRP A 93 1.842 -5.648 -12.869 1.00 54.22 H new ATOM 0 HE3 TRP A 93 3.898 -10.432 -14.220 1.00 55.11 H new ATOM 0 HZ2 TRP A 93 3.274 -6.874 -10.782 1.00 72.42 H new ATOM 0 HZ3 TRP A 93 4.862 -10.666 -11.967 1.00 30.03 H new ATOM 0 HH2 TRP A 93 4.550 -8.910 -10.270 1.00 71.11 H new ATOM 1491 N THR A 94 -0.332 -9.254 -18.696 1.00 41.01 N ATOM 1492 CA THR A 94 -0.551 -9.580 -20.099 1.00 72.54 C ATOM 1493 C THR A 94 0.280 -8.683 -21.009 1.00 60.11 C ATOM 1494 O THR A 94 0.284 -7.461 -20.857 1.00 64.42 O ATOM 1495 CB THR A 94 -2.037 -9.445 -20.482 1.00 51.12 C ATOM 1496 OG1 THR A 94 -2.847 -10.205 -19.579 1.00 30.23 O ATOM 1497 CG2 THR A 94 -2.274 -9.921 -21.907 1.00 74.14 C ATOM 0 H THR A 94 -1.052 -8.661 -18.284 1.00 41.01 H new ATOM 0 HA THR A 94 -0.241 -10.616 -20.234 1.00 72.54 H new ATOM 0 HB THR A 94 -2.312 -8.392 -20.417 1.00 51.12 H new ATOM 0 HG1 THR A 94 -3.790 -10.112 -19.828 1.00 30.23 H new ATOM 0 HG21 THR A 94 -3.330 -9.816 -22.155 1.00 74.14 H new ATOM 0 HG22 THR A 94 -1.679 -9.321 -22.595 1.00 74.14 H new ATOM 0 HG23 THR A 94 -1.983 -10.968 -21.994 1.00 74.14 H new ATOM 1505 N VAL A 95 0.983 -9.297 -21.956 1.00 51.40 N ATOM 1506 CA VAL A 95 1.817 -8.552 -22.892 1.00 61.51 C ATOM 1507 C VAL A 95 0.975 -7.625 -23.761 1.00 2.32 C ATOM 1508 O VAL A 95 0.077 -8.072 -24.473 1.00 13.41 O ATOM 1509 CB VAL A 95 2.622 -9.499 -23.802 1.00 30.51 C ATOM 1510 CG1 VAL A 95 3.475 -8.705 -24.779 1.00 52.20 C ATOM 1511 CG2 VAL A 95 3.484 -10.434 -22.967 1.00 61.52 C ATOM 0 H VAL A 95 0.992 -10.307 -22.095 1.00 51.40 H new ATOM 0 HA VAL A 95 2.509 -7.957 -22.295 1.00 61.51 H new ATOM 0 HB VAL A 95 1.921 -10.104 -24.378 1.00 30.51 H new ATOM 0 HG11 VAL A 95 4.036 -9.391 -25.413 1.00 52.20 H new ATOM 0 HG12 VAL A 95 2.832 -8.081 -25.400 1.00 52.20 H new ATOM 0 HG13 VAL A 95 4.169 -8.073 -24.225 1.00 52.20 H new ATOM 0 HG21 VAL A 95 4.046 -11.096 -23.626 1.00 61.52 H new ATOM 0 HG22 VAL A 95 4.178 -9.848 -22.364 1.00 61.52 H new ATOM 0 HG23 VAL A 95 2.847 -11.029 -22.312 1.00 61.52 H new ATOM 1521 N GLU A 96 1.273 -6.331 -23.697 1.00 1.34 N ATOM 1522 CA GLU A 96 0.542 -5.340 -24.478 1.00 5.31 C ATOM 1523 C GLU A 96 1.495 -4.311 -25.080 1.00 5.25 C ATOM 1524 O GLU A 96 1.066 -3.305 -25.642 1.00 14.42 O ATOM 1525 CB GLU A 96 -0.499 -4.637 -23.605 1.00 55.22 C ATOM 1526 CG GLU A 96 -1.442 -5.593 -22.894 1.00 13.22 C ATOM 1527 CD GLU A 96 -2.247 -4.914 -21.803 1.00 33.13 C ATOM 1528 OE1 GLU A 96 -1.658 -4.128 -21.032 1.00 33.13 O ATOM 1529 OE2 GLU A 96 -3.467 -5.169 -21.720 1.00 71.34 O ATOM 0 H GLU A 96 2.015 -5.945 -23.113 1.00 1.34 H new ATOM 0 HA GLU A 96 0.034 -5.859 -25.291 1.00 5.31 H new ATOM 0 HB2 GLU A 96 0.014 -4.027 -22.862 1.00 55.22 H new ATOM 0 HB3 GLU A 96 -1.083 -3.958 -24.226 1.00 55.22 H new ATOM 0 HG2 GLU A 96 -2.123 -6.034 -23.622 1.00 13.22 H new ATOM 0 HG3 GLU A 96 -0.866 -6.410 -22.460 1.00 13.22 H new ATOM 1536 N GLY A 97 2.794 -4.572 -24.956 1.00 15.41 N ATOM 1537 CA GLY A 97 3.788 -3.660 -25.491 1.00 55.31 C ATOM 1538 C GLY A 97 4.668 -4.312 -26.538 1.00 45.22 C ATOM 1539 O GLY A 97 4.451 -5.465 -26.912 1.00 44.41 O ATOM 0 H GLY A 97 3.175 -5.398 -24.495 1.00 15.41 H new ATOM 0 HA2 GLY A 97 3.287 -2.797 -25.929 1.00 55.31 H new ATOM 0 HA3 GLY A 97 4.411 -3.288 -24.677 1.00 55.31 H new ATOM 1543 N PHE A 98 5.665 -3.573 -27.014 1.00 51.34 N ATOM 1544 CA PHE A 98 6.581 -4.085 -28.027 1.00 75.12 C ATOM 1545 C PHE A 98 7.904 -3.326 -27.997 1.00 62.54 C ATOM 1546 O PHE A 98 7.960 -2.168 -27.586 1.00 15.34 O ATOM 1547 CB PHE A 98 5.949 -3.978 -29.417 1.00 3.31 C ATOM 1548 CG PHE A 98 6.051 -5.242 -30.221 1.00 34.54 C ATOM 1549 CD1 PHE A 98 5.651 -6.455 -29.682 1.00 54.12 C ATOM 1550 CD2 PHE A 98 6.545 -5.219 -31.515 1.00 3.04 C ATOM 1551 CE1 PHE A 98 5.744 -7.620 -30.419 1.00 74.25 C ATOM 1552 CE2 PHE A 98 6.640 -6.381 -32.257 1.00 23.11 C ATOM 1553 CZ PHE A 98 6.238 -7.583 -31.709 1.00 32.23 C ATOM 0 H PHE A 98 5.859 -2.618 -26.714 1.00 51.34 H new ATOM 0 HA PHE A 98 6.779 -5.134 -27.806 1.00 75.12 H new ATOM 0 HB2 PHE A 98 4.898 -3.709 -29.310 1.00 3.31 H new ATOM 0 HB3 PHE A 98 6.431 -3.168 -29.965 1.00 3.31 H new ATOM 0 HD1 PHE A 98 5.262 -6.490 -28.675 1.00 54.12 H new ATOM 0 HD2 PHE A 98 6.860 -4.282 -31.949 1.00 3.04 H new ATOM 0 HE1 PHE A 98 5.431 -8.559 -29.987 1.00 74.25 H new ATOM 0 HE2 PHE A 98 7.028 -6.349 -33.264 1.00 23.11 H new ATOM 0 HZ PHE A 98 6.310 -8.492 -32.287 1.00 32.23 H new ATOM 1563 N VAL A 99 8.969 -3.989 -28.437 1.00 23.43 N ATOM 1564 CA VAL A 99 10.293 -3.379 -28.461 1.00 61.05 C ATOM 1565 C VAL A 99 11.270 -4.218 -29.277 1.00 22.41 C ATOM 1566 O VAL A 99 10.950 -5.331 -29.695 1.00 31.20 O ATOM 1567 CB VAL A 99 10.854 -3.196 -27.039 1.00 33.45 C ATOM 1568 CG1 VAL A 99 10.708 -1.751 -26.588 1.00 52.24 C ATOM 1569 CG2 VAL A 99 10.158 -4.139 -26.067 1.00 43.45 C ATOM 0 H VAL A 99 8.940 -4.949 -28.782 1.00 23.43 H new ATOM 0 HA VAL A 99 10.181 -2.400 -28.927 1.00 61.05 H new ATOM 0 HB VAL A 99 11.916 -3.441 -27.052 1.00 33.45 H new ATOM 0 HG11 VAL A 99 11.110 -1.642 -25.581 1.00 52.24 H new ATOM 0 HG12 VAL A 99 11.255 -1.100 -27.270 1.00 52.24 H new ATOM 0 HG13 VAL A 99 9.654 -1.474 -26.590 1.00 52.24 H new ATOM 0 HG21 VAL A 99 10.566 -3.997 -25.066 1.00 43.45 H new ATOM 0 HG22 VAL A 99 9.089 -3.926 -26.056 1.00 43.45 H new ATOM 0 HG23 VAL A 99 10.320 -5.170 -26.382 1.00 43.45 H new ATOM 1579 N ASP A 100 12.463 -3.678 -29.499 1.00 62.02 N ATOM 1580 CA ASP A 100 13.489 -4.378 -30.264 1.00 1.23 C ATOM 1581 C ASP A 100 14.871 -4.144 -29.661 1.00 13.24 C ATOM 1582 O ASP A 100 15.238 -3.012 -29.349 1.00 11.44 O ATOM 1583 CB ASP A 100 13.471 -3.918 -31.722 1.00 41.23 C ATOM 1584 CG ASP A 100 12.269 -4.446 -32.481 1.00 45.31 C ATOM 1585 OD1 ASP A 100 11.136 -4.289 -31.980 1.00 45.24 O ATOM 1586 OD2 ASP A 100 12.462 -5.017 -33.575 1.00 42.52 O ATOM 0 H ASP A 100 12.744 -2.758 -29.160 1.00 62.02 H new ATOM 0 HA ASP A 100 13.271 -5.445 -30.225 1.00 1.23 H new ATOM 0 HB2 ASP A 100 13.469 -2.829 -31.756 1.00 41.23 H new ATOM 0 HB3 ASP A 100 14.384 -4.251 -32.216 1.00 41.23 H new ATOM 1591 N GLU A 101 15.631 -5.222 -29.499 1.00 33.43 N ATOM 1592 CA GLU A 101 16.971 -5.134 -28.931 1.00 12.41 C ATOM 1593 C GLU A 101 18.021 -5.013 -30.031 1.00 61.44 C ATOM 1594 O GLU A 101 19.048 -5.692 -30.001 1.00 55.51 O ATOM 1595 CB GLU A 101 17.263 -6.359 -28.063 1.00 64.42 C ATOM 1596 CG GLU A 101 18.079 -6.045 -26.820 1.00 42.35 C ATOM 1597 CD GLU A 101 18.853 -7.245 -26.311 1.00 72.30 C ATOM 1598 OE1 GLU A 101 18.337 -8.377 -26.430 1.00 42.41 O ATOM 1599 OE2 GLU A 101 19.973 -7.054 -25.793 1.00 52.03 O ATOM 0 H GLU A 101 15.342 -6.167 -29.753 1.00 33.43 H new ATOM 0 HA GLU A 101 17.017 -4.240 -28.310 1.00 12.41 H new ATOM 0 HB2 GLU A 101 16.319 -6.814 -27.762 1.00 64.42 H new ATOM 0 HB3 GLU A 101 17.797 -7.098 -28.660 1.00 64.42 H new ATOM 0 HG2 GLU A 101 18.775 -5.236 -27.042 1.00 42.35 H new ATOM 0 HG3 GLU A 101 17.414 -5.687 -26.034 1.00 42.35 H new ATOM 1606 N ALA A 102 17.755 -4.146 -31.002 1.00 45.25 N ATOM 1607 CA ALA A 102 18.677 -3.935 -32.112 1.00 22.12 C ATOM 1608 C ALA A 102 18.736 -2.463 -32.505 1.00 0.24 C ATOM 1609 O ALA A 102 18.832 -1.585 -31.646 1.00 41.21 O ATOM 1610 CB ALA A 102 18.270 -4.786 -33.306 1.00 14.15 C ATOM 0 H ALA A 102 16.909 -3.578 -31.043 1.00 45.25 H new ATOM 0 HA ALA A 102 19.672 -4.237 -31.787 1.00 22.12 H new ATOM 0 HB1 ALA A 102 18.967 -4.618 -34.127 1.00 14.15 H new ATOM 0 HB2 ALA A 102 18.287 -5.839 -33.025 1.00 14.15 H new ATOM 0 HB3 ALA A 102 17.264 -4.511 -33.623 1.00 14.15 H new TER 1616 ALA A 102