USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=17 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 -13:sc= 0.402 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS :FLIP no HD1:sc= -2.14! C(o=-2.8!,f=-2.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 38:sc= -0.776 USER MOD Single : A 26 SER OG : rot -28:sc= 0.244 USER MOD Single : A 31 HIS : no HE2:sc= -11.1! C(o=-11!,f=-14!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc=-0.00201 F(o=-2.9,f=-0.002) USER MOD Single : A 38 MET CE :methyl 158:sc= -2.58! (180deg=-4.45!) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 22:sc= 0.45 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.032 X(o=0.032,f=0) USER MOD Single : A 64 ASN :FLIP amide:sc= 0.402 F(o=-0.41,f=0.4) 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= -1.06 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.996 USER MOD Single : A 81 LYS NZ :NH3+ -154:sc= -0.015 (180deg=-0.474) USER MOD Single : A 86 TYR OH : rot 175:sc= -4.44! USER MOD Single : A 88 GLN :FLIP amide:sc= -2.61! F(o=-4.1,f=-2.6!) USER MOD Single : A 90 ASN : amide:sc= -3.92! C(o=-3.9!,f=-4.3!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 4.169 0.368 2.326 1.00 70.33 N ATOM 2 CA TYR A 1 4.845 -0.562 1.429 1.00 71.13 C ATOM 3 C TYR A 1 3.976 -0.876 0.214 1.00 25.23 C ATOM 4 O TYR A 1 2.892 -1.443 0.344 1.00 60.03 O ATOM 5 CB TYR A 1 5.193 -1.855 2.168 1.00 4.25 C ATOM 6 CG TYR A 1 5.310 -3.059 1.262 1.00 75.05 C ATOM 7 CD1 TYR A 1 5.804 -2.935 -0.031 1.00 72.00 C ATOM 8 CD2 TYR A 1 4.926 -4.321 1.698 1.00 72.22 C ATOM 9 CE1 TYR A 1 5.911 -4.032 -0.863 1.00 73.51 C ATOM 10 CE2 TYR A 1 5.031 -5.425 0.873 1.00 14.40 C ATOM 11 CZ TYR A 1 5.523 -5.275 -0.407 1.00 2.04 C ATOM 12 OH TYR A 1 5.630 -6.371 -1.232 1.00 14.10 O ATOM 0 H1 TYR A 1 4.779 0.566 3.144 1.00 70.33 H new ATOM 0 H2 TYR A 1 3.969 1.255 1.820 1.00 70.33 H new ATOM 0 H3 TYR A 1 3.276 -0.053 2.654 1.00 70.33 H new ATOM 0 HA TYR A 1 5.765 -0.090 1.084 1.00 71.13 H new ATOM 0 HB2 TYR A 1 6.135 -1.718 2.699 1.00 4.25 H new ATOM 0 HB3 TYR A 1 4.429 -2.050 2.920 1.00 4.25 H new ATOM 0 HD1 TYR A 1 6.110 -1.964 -0.391 1.00 72.00 H new ATOM 0 HD2 TYR A 1 4.539 -4.441 2.699 1.00 72.22 H new ATOM 0 HE1 TYR A 1 6.296 -3.918 -1.865 1.00 73.51 H new ATOM 0 HE2 TYR A 1 4.730 -6.399 1.228 1.00 14.40 H new ATOM 0 HH TYR A 1 5.798 -6.074 -2.151 1.00 14.10 H new ATOM 22 N GLU A 2 4.463 -0.504 -0.965 1.00 41.53 N ATOM 23 CA GLU A 2 3.732 -0.745 -2.203 1.00 73.15 C ATOM 24 C GLU A 2 4.656 -0.630 -3.412 1.00 72.55 C ATOM 25 O GLU A 2 4.538 0.298 -4.211 1.00 53.03 O ATOM 26 CB GLU A 2 2.572 0.244 -2.338 1.00 43.33 C ATOM 27 CG GLU A 2 1.612 0.221 -1.161 1.00 22.01 C ATOM 28 CD GLU A 2 0.418 1.134 -1.363 1.00 64.24 C ATOM 29 OE1 GLU A 2 -0.389 0.859 -2.276 1.00 14.45 O ATOM 30 OE2 GLU A 2 0.292 2.122 -0.611 1.00 0.03 O ATOM 0 H GLU A 2 5.360 -0.035 -1.089 1.00 41.53 H new ATOM 0 HA GLU A 2 3.333 -1.759 -2.167 1.00 73.15 H new ATOM 0 HB2 GLU A 2 2.975 1.251 -2.448 1.00 43.33 H new ATOM 0 HB3 GLU A 2 2.020 0.021 -3.251 1.00 43.33 H new ATOM 0 HG2 GLU A 2 1.262 -0.799 -1.003 1.00 22.01 H new ATOM 0 HG3 GLU A 2 2.144 0.519 -0.258 1.00 22.01 H new ATOM 37 N ALA A 3 5.576 -1.581 -3.539 1.00 32.22 N ATOM 38 CA ALA A 3 6.519 -1.588 -4.650 1.00 21.51 C ATOM 39 C ALA A 3 5.883 -1.021 -5.914 1.00 53.02 C ATOM 40 O ALA A 3 4.707 -1.248 -6.202 1.00 43.20 O ATOM 41 CB ALA A 3 7.028 -3.000 -4.901 1.00 20.21 C ATOM 0 H ALA A 3 5.688 -2.356 -2.886 1.00 32.22 H new ATOM 0 HA ALA A 3 7.362 -0.951 -4.382 1.00 21.51 H new ATOM 0 HB1 ALA A 3 7.732 -2.991 -5.734 1.00 20.21 H new ATOM 0 HB2 ALA A 3 7.529 -3.370 -4.007 1.00 20.21 H new ATOM 0 HB3 ALA A 3 6.188 -3.652 -5.143 1.00 20.21 H new ATOM 47 N PRO A 4 6.675 -0.264 -6.688 1.00 71.30 N ATOM 48 CA PRO A 4 6.210 0.352 -7.934 1.00 74.53 C ATOM 49 C PRO A 4 5.957 -0.678 -9.030 1.00 52.14 C ATOM 50 O PRO A 4 6.537 -1.764 -9.041 1.00 51.23 O ATOM 51 CB PRO A 4 7.365 1.277 -8.326 1.00 35.34 C ATOM 52 CG PRO A 4 8.567 0.672 -7.687 1.00 1.31 C ATOM 53 CD PRO A 4 8.086 0.048 -6.406 1.00 61.13 C ATOM 0 HA PRO A 4 5.259 0.868 -7.803 1.00 74.53 H new ATOM 0 HB2 PRO A 4 7.478 1.333 -9.409 1.00 35.34 H new ATOM 0 HB3 PRO A 4 7.197 2.293 -7.970 1.00 35.34 H new ATOM 0 HG2 PRO A 4 9.021 -0.075 -8.338 1.00 1.31 H new ATOM 0 HG3 PRO A 4 9.327 1.428 -7.491 1.00 1.31 H new ATOM 0 HD2 PRO A 4 8.654 -0.849 -6.158 1.00 61.13 H new ATOM 0 HD3 PRO A 4 8.186 0.732 -5.563 1.00 61.13 H new ATOM 61 N PRO A 5 5.071 -0.331 -9.976 1.00 33.31 N ATOM 62 CA PRO A 5 4.722 -1.212 -11.095 1.00 10.22 C ATOM 63 C PRO A 5 5.868 -1.369 -12.088 1.00 43.31 C ATOM 64 O PRO A 5 6.506 -0.390 -12.474 1.00 52.52 O ATOM 65 CB PRO A 5 3.538 -0.498 -11.753 1.00 5.25 C ATOM 66 CG PRO A 5 3.714 0.937 -11.392 1.00 51.01 C ATOM 67 CD PRO A 5 4.342 0.947 -10.026 1.00 15.03 C ATOM 0 HA PRO A 5 4.495 -2.224 -10.761 1.00 10.22 H new ATOM 0 HB2 PRO A 5 3.542 -0.638 -12.834 1.00 5.25 H new ATOM 0 HB3 PRO A 5 2.588 -0.885 -11.385 1.00 5.25 H new ATOM 0 HG2 PRO A 5 4.349 1.447 -12.117 1.00 51.01 H new ATOM 0 HG3 PRO A 5 2.756 1.458 -11.385 1.00 51.01 H new ATOM 0 HD2 PRO A 5 5.012 1.797 -9.898 1.00 15.03 H new ATOM 0 HD3 PRO A 5 3.591 1.012 -9.239 1.00 15.03 H new ATOM 75 N ALA A 6 6.124 -2.607 -12.498 1.00 45.43 N ATOM 76 CA ALA A 6 7.192 -2.891 -13.449 1.00 4.23 C ATOM 77 C ALA A 6 6.703 -2.740 -14.885 1.00 64.12 C ATOM 78 O ALA A 6 5.599 -3.167 -15.225 1.00 0.43 O ATOM 79 CB ALA A 6 7.743 -4.291 -13.221 1.00 2.33 C ATOM 0 H ALA A 6 5.607 -3.429 -12.187 1.00 45.43 H new ATOM 0 HA ALA A 6 7.991 -2.167 -13.287 1.00 4.23 H new ATOM 0 HB1 ALA A 6 8.540 -4.490 -13.938 1.00 2.33 H new ATOM 0 HB2 ALA A 6 8.139 -4.366 -12.208 1.00 2.33 H new ATOM 0 HB3 ALA A 6 6.945 -5.022 -13.353 1.00 2.33 H new ATOM 85 N THR A 7 7.532 -2.130 -15.727 1.00 1.22 N ATOM 86 CA THR A 7 7.183 -1.921 -17.126 1.00 63.14 C ATOM 87 C THR A 7 7.704 -3.058 -17.998 1.00 74.22 C ATOM 88 O THR A 7 8.710 -2.911 -18.693 1.00 51.01 O ATOM 89 CB THR A 7 7.746 -0.587 -17.653 1.00 33.23 C ATOM 90 OG1 THR A 7 7.346 0.486 -16.793 1.00 42.10 O ATOM 91 CG2 THR A 7 7.261 -0.317 -19.069 1.00 12.41 C ATOM 0 H THR A 7 8.450 -1.772 -15.464 1.00 1.22 H new ATOM 0 HA THR A 7 6.095 -1.894 -17.179 1.00 63.14 H new ATOM 0 HB THR A 7 8.834 -0.656 -17.666 1.00 33.23 H new ATOM 0 HG1 THR A 7 7.709 1.330 -17.133 1.00 42.10 H new ATOM 0 HG21 THR A 7 7.671 0.630 -19.420 1.00 12.41 H new ATOM 0 HG22 THR A 7 7.591 -1.121 -19.726 1.00 12.41 H new ATOM 0 HG23 THR A 7 6.172 -0.266 -19.077 1.00 12.41 H new ATOM 99 N LEU A 8 7.012 -4.192 -17.958 1.00 45.01 N ATOM 100 CA LEU A 8 7.405 -5.355 -18.746 1.00 32.41 C ATOM 101 C LEU A 8 6.990 -5.190 -20.204 1.00 72.54 C ATOM 102 O LEU A 8 5.803 -5.216 -20.528 1.00 50.41 O ATOM 103 CB LEU A 8 6.777 -6.624 -18.166 1.00 22.04 C ATOM 104 CG LEU A 8 6.884 -6.793 -16.650 1.00 13.54 C ATOM 105 CD1 LEU A 8 5.586 -6.377 -15.974 1.00 21.31 C ATOM 106 CD2 LEU A 8 7.235 -8.230 -16.296 1.00 72.41 C ATOM 0 H LEU A 8 6.177 -4.330 -17.389 1.00 45.01 H new ATOM 0 HA LEU A 8 8.491 -5.442 -18.704 1.00 32.41 H new ATOM 0 HB2 LEU A 8 5.722 -6.641 -18.440 1.00 22.04 H new ATOM 0 HB3 LEU A 8 7.244 -7.487 -18.642 1.00 22.04 H new ATOM 0 HG LEU A 8 7.683 -6.146 -16.287 1.00 13.54 H new ATOM 0 HD11 LEU A 8 5.680 -6.504 -14.896 1.00 21.31 H new ATOM 0 HD12 LEU A 8 5.377 -5.331 -16.199 1.00 21.31 H new ATOM 0 HD13 LEU A 8 4.769 -6.997 -16.342 1.00 21.31 H new ATOM 0 HD21 LEU A 8 7.307 -8.331 -15.213 1.00 72.41 H new ATOM 0 HD22 LEU A 8 6.459 -8.897 -16.672 1.00 72.41 H new ATOM 0 HD23 LEU A 8 8.191 -8.493 -16.749 1.00 72.41 H new ATOM 118 N GLU A 9 7.976 -5.024 -21.080 1.00 3.12 N ATOM 119 CA GLU A 9 7.713 -4.856 -22.504 1.00 75.52 C ATOM 120 C GLU A 9 7.625 -6.210 -23.204 1.00 12.30 C ATOM 121 O GLU A 9 7.532 -7.251 -22.555 1.00 21.11 O ATOM 122 CB GLU A 9 8.807 -4.005 -23.152 1.00 32.25 C ATOM 123 CG GLU A 9 9.100 -2.717 -22.401 1.00 23.34 C ATOM 124 CD GLU A 9 8.195 -1.577 -22.823 1.00 10.50 C ATOM 125 OE1 GLU A 9 7.689 -1.611 -23.964 1.00 44.22 O ATOM 126 OE2 GLU A 9 7.992 -0.649 -22.011 1.00 61.32 O ATOM 0 H GLU A 9 8.964 -5.002 -20.828 1.00 3.12 H new ATOM 0 HA GLU A 9 6.756 -4.346 -22.612 1.00 75.52 H new ATOM 0 HB2 GLU A 9 9.722 -4.593 -23.218 1.00 32.25 H new ATOM 0 HB3 GLU A 9 8.510 -3.762 -24.172 1.00 32.25 H new ATOM 0 HG2 GLU A 9 8.985 -2.890 -21.331 1.00 23.34 H new ATOM 0 HG3 GLU A 9 10.139 -2.432 -22.568 1.00 23.34 H new ATOM 133 N ALA A 10 7.654 -6.185 -24.532 1.00 62.24 N ATOM 134 CA ALA A 10 7.580 -7.409 -25.321 1.00 15.11 C ATOM 135 C ALA A 10 8.623 -7.410 -26.433 1.00 23.25 C ATOM 136 O ALA A 10 8.315 -7.111 -27.587 1.00 33.54 O ATOM 137 CB ALA A 10 6.184 -7.577 -25.904 1.00 43.31 C ATOM 0 H ALA A 10 7.728 -5.331 -25.084 1.00 62.24 H new ATOM 0 HA ALA A 10 7.791 -8.251 -24.661 1.00 15.11 H new ATOM 0 HB1 ALA A 10 6.143 -8.495 -26.491 1.00 43.31 H new ATOM 0 HB2 ALA A 10 5.456 -7.631 -25.095 1.00 43.31 H new ATOM 0 HB3 ALA A 10 5.952 -6.726 -26.545 1.00 43.31 H new ATOM 143 N ILE A 11 9.859 -7.747 -26.078 1.00 35.35 N ATOM 144 CA ILE A 11 10.947 -7.787 -27.046 1.00 61.40 C ATOM 145 C ILE A 11 10.766 -8.939 -28.029 1.00 52.45 C ATOM 146 O ILE A 11 9.875 -9.774 -27.867 1.00 42.54 O ATOM 147 CB ILE A 11 12.314 -7.931 -26.351 1.00 71.20 C ATOM 148 CG1 ILE A 11 12.419 -6.956 -25.177 1.00 13.21 C ATOM 149 CG2 ILE A 11 13.441 -7.695 -27.345 1.00 41.02 C ATOM 150 CD1 ILE A 11 12.780 -5.547 -25.592 1.00 53.22 C ATOM 0 H ILE A 11 10.131 -7.996 -25.127 1.00 35.35 H new ATOM 0 HA ILE A 11 10.922 -6.842 -27.588 1.00 61.40 H new ATOM 0 HB ILE A 11 12.403 -8.946 -25.965 1.00 71.20 H new ATOM 0 HG12 ILE A 11 11.468 -6.937 -24.645 1.00 13.21 H new ATOM 0 HG13 ILE A 11 13.169 -7.323 -24.476 1.00 13.21 H new ATOM 0 HG21 ILE A 11 14.401 -7.800 -26.839 1.00 41.02 H new ATOM 0 HG22 ILE A 11 13.374 -8.426 -28.151 1.00 41.02 H new ATOM 0 HG23 ILE A 11 13.357 -6.690 -27.758 1.00 41.02 H new ATOM 0 HD11 ILE A 11 12.837 -4.911 -24.709 1.00 53.22 H new ATOM 0 HD12 ILE A 11 13.746 -5.553 -26.098 1.00 53.22 H new ATOM 0 HD13 ILE A 11 12.018 -5.161 -26.269 1.00 53.22 H new ATOM 162 N HIS A 12 11.617 -8.978 -29.049 1.00 65.23 N ATOM 163 CA HIS A 12 11.553 -10.029 -30.059 1.00 21.23 C ATOM 164 C HIS A 12 11.594 -11.409 -29.409 1.00 63.35 C ATOM 165 O HIS A 12 11.816 -11.550 -28.207 1.00 1.24 O ATOM 166 CB HIS A 12 12.708 -9.885 -31.050 1.00 51.43 C ATOM 167 CG HIS A 12 12.273 -9.458 -32.418 1.00 73.25 C ATOM 168 ND1 HIS A 12 11.042 -9.404 -32.979 1.00 12.24 N flip ATOM 169 CD2 HIS A 12 13.153 -9.023 -33.387 1.00 51.22 C flip ATOM 170 CE1 HIS A 12 11.199 -8.940 -34.262 1.00 21.31 C flip ATOM 171 NE2 HIS A 12 12.482 -8.717 -34.483 1.00 61.11 N flip ATOM 0 H HIS A 12 12.359 -8.294 -29.198 1.00 65.23 H new ATOM 0 HA HIS A 12 10.610 -9.926 -30.595 1.00 21.23 H new ATOM 0 HB2 HIS A 12 13.421 -9.158 -30.661 1.00 51.43 H new ATOM 0 HB3 HIS A 12 13.232 -10.838 -31.125 1.00 51.43 H new ATOM 0 HD2 HIS A 12 14.224 -8.945 -33.268 1.00 51.22 H new ATOM 0 HE1 HIS A 12 10.403 -8.783 -34.975 1.00 21.31 H new ATOM 0 HE2 HIS A 12 12.886 -8.368 -35.352 1.00 61.11 H new ATOM 179 N PRO A 13 11.375 -12.453 -30.223 1.00 31.24 N ATOM 180 CA PRO A 13 11.382 -13.841 -29.749 1.00 54.51 C ATOM 181 C PRO A 13 12.778 -14.313 -29.358 1.00 52.13 C ATOM 182 O PRO A 13 13.050 -15.513 -29.318 1.00 10.01 O ATOM 183 CB PRO A 13 10.868 -14.630 -30.956 1.00 44.31 C ATOM 184 CG PRO A 13 11.210 -13.785 -32.134 1.00 45.24 C ATOM 185 CD PRO A 13 11.104 -12.360 -31.667 1.00 11.40 C ATOM 0 HA PRO A 13 10.778 -13.968 -28.851 1.00 54.51 H new ATOM 0 HB2 PRO A 13 11.342 -15.609 -31.020 1.00 44.31 H new ATOM 0 HB3 PRO A 13 9.793 -14.800 -30.889 1.00 44.31 H new ATOM 0 HG2 PRO A 13 12.216 -14.004 -32.493 1.00 45.24 H new ATOM 0 HG3 PRO A 13 10.528 -13.976 -32.962 1.00 45.24 H new ATOM 0 HD2 PRO A 13 11.826 -11.717 -32.171 1.00 11.40 H new ATOM 0 HD3 PRO A 13 10.116 -11.945 -31.864 1.00 11.40 H new ATOM 193 N LYS A 14 13.660 -13.362 -29.071 1.00 21.04 N ATOM 194 CA LYS A 14 15.029 -13.680 -28.681 1.00 33.02 C ATOM 195 C LYS A 14 15.408 -12.960 -27.391 1.00 45.41 C ATOM 196 O LYS A 14 16.585 -12.710 -27.131 1.00 72.14 O ATOM 197 CB LYS A 14 16.001 -13.295 -29.798 1.00 23.31 C ATOM 198 CG LYS A 14 16.065 -11.801 -30.061 1.00 53.32 C ATOM 199 CD LYS A 14 17.162 -11.455 -31.054 1.00 24.44 C ATOM 200 CE LYS A 14 17.363 -9.952 -31.161 1.00 45.42 C ATOM 201 NZ LYS A 14 18.801 -9.576 -31.063 1.00 1.20 N ATOM 0 H LYS A 14 13.451 -12.364 -29.101 1.00 21.04 H new ATOM 0 HA LYS A 14 15.091 -14.754 -28.508 1.00 33.02 H new ATOM 0 HB2 LYS A 14 16.998 -13.653 -29.540 1.00 23.31 H new ATOM 0 HB3 LYS A 14 15.707 -13.805 -30.716 1.00 23.31 H new ATOM 0 HG2 LYS A 14 15.104 -11.457 -30.444 1.00 53.32 H new ATOM 0 HG3 LYS A 14 16.242 -11.273 -29.124 1.00 53.32 H new ATOM 0 HD2 LYS A 14 18.095 -11.927 -30.746 1.00 24.44 H new ATOM 0 HD3 LYS A 14 16.908 -11.860 -32.034 1.00 24.44 H new ATOM 0 HE2 LYS A 14 16.959 -9.598 -32.110 1.00 45.42 H new ATOM 0 HE3 LYS A 14 16.803 -9.453 -30.370 1.00 45.42 H new ATOM 0 HZ1 LYS A 14 18.896 -8.543 -31.140 1.00 1.20 H new ATOM 0 HZ2 LYS A 14 19.181 -9.891 -30.147 1.00 1.20 H new ATOM 0 HZ3 LYS A 14 19.332 -10.031 -31.833 1.00 1.20 H new ATOM 215 N GLY A 15 14.404 -12.629 -26.585 1.00 51.11 N ATOM 216 CA GLY A 15 14.654 -11.942 -25.332 1.00 11.24 C ATOM 217 C GLY A 15 13.473 -11.103 -24.885 1.00 21.14 C ATOM 218 O GLY A 15 12.430 -11.088 -25.539 1.00 15.11 O ATOM 0 H GLY A 15 13.422 -12.825 -26.778 1.00 51.11 H new ATOM 0 HA2 GLY A 15 14.888 -12.675 -24.560 1.00 11.24 H new ATOM 0 HA3 GLY A 15 15.530 -11.302 -25.440 1.00 11.24 H new ATOM 222 N LEU A 16 13.635 -10.405 -23.766 1.00 43.54 N ATOM 223 CA LEU A 16 12.573 -9.560 -23.231 1.00 30.11 C ATOM 224 C LEU A 16 13.153 -8.383 -22.454 1.00 12.32 C ATOM 225 O LEU A 16 14.293 -8.432 -21.993 1.00 2.24 O ATOM 226 CB LEU A 16 11.651 -10.379 -22.326 1.00 22.04 C ATOM 227 CG LEU A 16 10.403 -9.660 -21.812 1.00 61.21 C ATOM 228 CD1 LEU A 16 9.626 -9.048 -22.967 1.00 61.54 C ATOM 229 CD2 LEU A 16 9.523 -10.618 -21.023 1.00 33.12 C ATOM 0 H LEU A 16 14.491 -10.408 -23.212 1.00 43.54 H new ATOM 0 HA LEU A 16 11.996 -9.169 -24.069 1.00 30.11 H new ATOM 0 HB2 LEU A 16 11.335 -11.268 -22.872 1.00 22.04 H new ATOM 0 HB3 LEU A 16 12.228 -10.721 -21.467 1.00 22.04 H new ATOM 0 HG LEU A 16 10.718 -8.856 -21.147 1.00 61.21 H new ATOM 0 HD11 LEU A 16 8.741 -8.541 -22.582 1.00 61.54 H new ATOM 0 HD12 LEU A 16 10.257 -8.330 -23.490 1.00 61.54 H new ATOM 0 HD13 LEU A 16 9.322 -9.834 -23.658 1.00 61.54 H new ATOM 0 HD21 LEU A 16 8.640 -10.089 -20.665 1.00 33.12 H new ATOM 0 HD22 LEU A 16 9.216 -11.443 -21.666 1.00 33.12 H new ATOM 0 HD23 LEU A 16 10.082 -11.009 -20.172 1.00 33.12 H new ATOM 241 N ARG A 17 12.359 -7.326 -22.311 1.00 63.21 N ATOM 242 CA ARG A 17 12.793 -6.137 -21.589 1.00 4.42 C ATOM 243 C ARG A 17 11.842 -5.822 -20.438 1.00 25.24 C ATOM 244 O ARG A 17 10.622 -5.864 -20.597 1.00 65.40 O ATOM 245 CB ARG A 17 12.876 -4.939 -22.538 1.00 31.53 C ATOM 246 CG ARG A 17 13.369 -3.666 -21.870 1.00 54.02 C ATOM 247 CD ARG A 17 13.583 -2.553 -22.884 1.00 14.33 C ATOM 248 NE ARG A 17 13.806 -1.261 -22.239 1.00 63.32 N ATOM 249 CZ ARG A 17 13.974 -0.126 -22.908 1.00 13.44 C ATOM 250 NH1 ARG A 17 13.942 -0.122 -24.233 1.00 44.21 N ATOM 251 NH2 ARG A 17 14.172 1.010 -22.250 1.00 25.51 N ATOM 0 H ARG A 17 11.412 -7.270 -22.686 1.00 63.21 H new ATOM 0 HA ARG A 17 13.782 -6.335 -21.177 1.00 4.42 H new ATOM 0 HB2 ARG A 17 13.542 -5.187 -23.365 1.00 31.53 H new ATOM 0 HB3 ARG A 17 11.890 -4.756 -22.966 1.00 31.53 H new ATOM 0 HG2 ARG A 17 12.646 -3.343 -21.121 1.00 54.02 H new ATOM 0 HG3 ARG A 17 14.303 -3.867 -21.346 1.00 54.02 H new ATOM 0 HD2 ARG A 17 14.438 -2.796 -23.514 1.00 14.33 H new ATOM 0 HD3 ARG A 17 12.714 -2.486 -23.538 1.00 14.33 H new ATOM 0 HE ARG A 17 13.834 -1.229 -21.220 1.00 63.32 H new ATOM 0 HH11 ARG A 17 13.788 -0.992 -24.742 1.00 44.21 H new ATOM 0 HH12 ARG A 17 14.071 0.751 -24.744 1.00 44.21 H new ATOM 0 HH21 ARG A 17 14.195 1.011 -21.230 1.00 25.51 H new ATOM 0 HH22 ARG A 17 14.301 1.881 -22.764 1.00 25.51 H new ATOM 265 N VAL A 18 12.410 -5.507 -19.277 1.00 74.33 N ATOM 266 CA VAL A 18 11.613 -5.185 -18.099 1.00 60.34 C ATOM 267 C VAL A 18 12.314 -4.148 -17.229 1.00 33.32 C ATOM 268 O VAL A 18 13.309 -4.447 -16.569 1.00 43.05 O ATOM 269 CB VAL A 18 11.328 -6.441 -17.254 1.00 51.12 C ATOM 270 CG1 VAL A 18 10.709 -6.057 -15.919 1.00 10.31 C ATOM 271 CG2 VAL A 18 10.424 -7.400 -18.014 1.00 30.11 C ATOM 0 H VAL A 18 13.418 -5.468 -19.128 1.00 74.33 H new ATOM 0 HA VAL A 18 10.668 -4.776 -18.457 1.00 60.34 H new ATOM 0 HB VAL A 18 12.273 -6.947 -17.057 1.00 51.12 H new ATOM 0 HG11 VAL A 18 10.515 -6.957 -15.336 1.00 10.31 H new ATOM 0 HG12 VAL A 18 11.396 -5.411 -15.372 1.00 10.31 H new ATOM 0 HG13 VAL A 18 9.772 -5.527 -16.091 1.00 10.31 H new ATOM 0 HG21 VAL A 18 10.233 -8.282 -17.402 1.00 30.11 H new ATOM 0 HG22 VAL A 18 9.480 -6.906 -18.243 1.00 30.11 H new ATOM 0 HG23 VAL A 18 10.911 -7.701 -18.942 1.00 30.11 H new ATOM 281 N SER A 19 11.787 -2.928 -17.231 1.00 75.12 N ATOM 282 CA SER A 19 12.363 -1.845 -16.444 1.00 3.32 C ATOM 283 C SER A 19 11.348 -1.299 -15.445 1.00 55.41 C ATOM 284 O SER A 19 10.144 -1.521 -15.581 1.00 43.22 O ATOM 285 CB SER A 19 12.848 -0.721 -17.362 1.00 10.12 C ATOM 286 OG SER A 19 13.423 0.337 -16.614 1.00 33.43 O ATOM 0 H SER A 19 10.962 -2.665 -17.769 1.00 75.12 H new ATOM 0 HA SER A 19 13.213 -2.244 -15.890 1.00 3.32 H new ATOM 0 HB2 SER A 19 13.582 -1.113 -18.066 1.00 10.12 H new ATOM 0 HB3 SER A 19 12.013 -0.342 -17.951 1.00 10.12 H new ATOM 0 HG SER A 19 13.932 -0.033 -15.863 1.00 33.43 H new ATOM 292 N VAL A 20 11.841 -0.582 -14.440 1.00 64.21 N ATOM 293 CA VAL A 20 10.978 -0.003 -13.418 1.00 3.51 C ATOM 294 C VAL A 20 11.457 1.389 -13.019 1.00 54.14 C ATOM 295 O VAL A 20 12.641 1.713 -13.103 1.00 25.13 O ATOM 296 CB VAL A 20 10.920 -0.892 -12.162 1.00 73.42 C ATOM 297 CG1 VAL A 20 10.399 -2.278 -12.513 1.00 54.31 C ATOM 298 CG2 VAL A 20 12.290 -0.979 -11.507 1.00 33.31 C ATOM 0 H VAL A 20 12.834 -0.388 -14.312 1.00 64.21 H new ATOM 0 HA VAL A 20 9.980 0.068 -13.850 1.00 3.51 H new ATOM 0 HB VAL A 20 10.230 -0.440 -11.449 1.00 73.42 H new ATOM 0 HG11 VAL A 20 10.365 -2.892 -11.613 1.00 54.31 H new ATOM 0 HG12 VAL A 20 9.397 -2.194 -12.934 1.00 54.31 H new ATOM 0 HG13 VAL A 20 11.062 -2.741 -13.244 1.00 54.31 H new ATOM 0 HG21 VAL A 20 12.230 -1.611 -10.621 1.00 33.31 H new ATOM 0 HG22 VAL A 20 13.003 -1.407 -12.211 1.00 33.31 H new ATOM 0 HG23 VAL A 20 12.620 0.019 -11.219 1.00 33.31 H new ATOM 308 N PRO A 21 10.514 2.234 -12.575 1.00 23.22 N ATOM 309 CA PRO A 21 10.816 3.605 -12.153 1.00 34.00 C ATOM 310 C PRO A 21 11.609 3.650 -10.852 1.00 30.05 C ATOM 311 O PRO A 21 11.183 3.103 -9.834 1.00 72.34 O ATOM 312 CB PRO A 21 9.431 4.228 -11.957 1.00 43.22 C ATOM 313 CG PRO A 21 8.535 3.075 -11.664 1.00 53.13 C ATOM 314 CD PRO A 21 9.082 1.915 -12.449 1.00 41.11 C ATOM 0 HA PRO A 21 11.436 4.129 -12.881 1.00 34.00 H new ATOM 0 HB2 PRO A 21 9.433 4.946 -11.137 1.00 43.22 H new ATOM 0 HB3 PRO A 21 9.108 4.764 -12.850 1.00 43.22 H new ATOM 0 HG2 PRO A 21 8.522 2.852 -10.597 1.00 53.13 H new ATOM 0 HG3 PRO A 21 7.508 3.295 -11.957 1.00 53.13 H new ATOM 0 HD2 PRO A 21 8.925 0.969 -11.931 1.00 41.11 H new ATOM 0 HD3 PRO A 21 8.602 1.828 -13.424 1.00 41.11 H new ATOM 322 N ASP A 22 12.764 4.305 -10.891 1.00 12.34 N ATOM 323 CA ASP A 22 13.616 4.423 -9.713 1.00 43.12 C ATOM 324 C ASP A 22 13.228 5.641 -8.881 1.00 2.21 C ATOM 325 O ASP A 22 13.494 6.779 -9.268 1.00 34.41 O ATOM 326 CB ASP A 22 15.085 4.521 -10.128 1.00 61.45 C ATOM 327 CG ASP A 22 16.009 4.724 -8.944 1.00 43.51 C ATOM 328 OD1 ASP A 22 15.732 4.151 -7.870 1.00 63.43 O ATOM 329 OD2 ASP A 22 17.009 5.459 -9.091 1.00 21.33 O ATOM 0 H ASP A 22 13.132 4.762 -11.725 1.00 12.34 H new ATOM 0 HA ASP A 22 13.477 3.530 -9.104 1.00 43.12 H new ATOM 0 HB2 ASP A 22 15.371 3.612 -10.657 1.00 61.45 H new ATOM 0 HB3 ASP A 22 15.208 5.348 -10.827 1.00 61.45 H new ATOM 334 N GLU A 23 12.598 5.394 -7.737 1.00 32.40 N ATOM 335 CA GLU A 23 12.172 6.471 -6.852 1.00 14.13 C ATOM 336 C GLU A 23 13.202 6.711 -5.752 1.00 34.35 C ATOM 337 O GLU A 23 12.971 7.492 -4.830 1.00 31.04 O ATOM 338 CB GLU A 23 10.812 6.143 -6.230 1.00 44.13 C ATOM 339 CG GLU A 23 9.661 6.927 -6.837 1.00 12.02 C ATOM 340 CD GLU A 23 8.321 6.246 -6.635 1.00 1.01 C ATOM 341 OE1 GLU A 23 8.154 5.557 -5.607 1.00 10.21 O ATOM 342 OE2 GLU A 23 7.439 6.403 -7.506 1.00 25.44 O ATOM 0 H GLU A 23 12.371 4.458 -7.402 1.00 32.40 H new ATOM 0 HA GLU A 23 12.082 7.380 -7.446 1.00 14.13 H new ATOM 0 HB2 GLU A 23 10.616 5.077 -6.347 1.00 44.13 H new ATOM 0 HB3 GLU A 23 10.853 6.344 -5.160 1.00 44.13 H new ATOM 0 HG2 GLU A 23 9.630 7.922 -6.393 1.00 12.02 H new ATOM 0 HG3 GLU A 23 9.840 7.060 -7.904 1.00 12.02 H new ATOM 349 N GLY A 24 14.340 6.031 -5.856 1.00 52.20 N ATOM 350 CA GLY A 24 15.388 6.183 -4.864 1.00 20.21 C ATOM 351 C GLY A 24 15.915 4.850 -4.369 1.00 11.50 C ATOM 352 O GLY A 24 16.686 4.797 -3.410 1.00 73.24 O ATOM 0 H GLY A 24 14.555 5.378 -6.609 1.00 52.20 H new ATOM 0 HA2 GLY A 24 16.209 6.758 -5.292 1.00 20.21 H new ATOM 0 HA3 GLY A 24 15.004 6.755 -4.019 1.00 20.21 H new ATOM 356 N PHE A 25 15.498 3.771 -5.022 1.00 55.35 N ATOM 357 CA PHE A 25 15.930 2.432 -4.642 1.00 23.25 C ATOM 358 C PHE A 25 17.447 2.299 -4.748 1.00 53.34 C ATOM 359 O PHE A 25 18.118 3.166 -5.308 1.00 64.44 O ATOM 360 CB PHE A 25 15.252 1.383 -5.525 1.00 52.02 C ATOM 361 CG PHE A 25 13.753 1.482 -5.530 1.00 41.21 C ATOM 362 CD1 PHE A 25 13.101 2.279 -6.457 1.00 44.23 C ATOM 363 CD2 PHE A 25 12.996 0.779 -4.607 1.00 61.31 C ATOM 364 CE1 PHE A 25 11.722 2.372 -6.465 1.00 3.41 C ATOM 365 CE2 PHE A 25 11.617 0.868 -4.610 1.00 71.41 C ATOM 366 CZ PHE A 25 10.979 1.666 -5.539 1.00 43.43 C ATOM 0 H PHE A 25 14.861 3.798 -5.818 1.00 55.35 H new ATOM 0 HA PHE A 25 15.640 2.265 -3.605 1.00 23.25 H new ATOM 0 HB2 PHE A 25 15.618 1.488 -6.546 1.00 52.02 H new ATOM 0 HB3 PHE A 25 15.541 0.389 -5.183 1.00 52.02 H new ATOM 0 HD1 PHE A 25 13.677 2.834 -7.182 1.00 44.23 H new ATOM 0 HD2 PHE A 25 13.489 0.154 -3.877 1.00 61.31 H new ATOM 0 HE1 PHE A 25 11.226 2.996 -7.194 1.00 3.41 H new ATOM 0 HE2 PHE A 25 11.038 0.314 -3.886 1.00 71.41 H new ATOM 0 HZ PHE A 25 9.901 1.738 -5.542 1.00 43.43 H new ATOM 376 N SER A 26 17.979 1.209 -4.206 1.00 60.55 N ATOM 377 CA SER A 26 19.416 0.964 -4.236 1.00 62.44 C ATOM 378 C SER A 26 19.718 -0.433 -4.772 1.00 43.43 C ATOM 379 O SER A 26 20.876 -0.784 -5.004 1.00 73.43 O ATOM 380 CB SER A 26 20.012 1.125 -2.836 1.00 74.33 C ATOM 381 OG SER A 26 21.426 1.036 -2.870 1.00 55.42 O ATOM 0 H SER A 26 17.437 0.481 -3.741 1.00 60.55 H new ATOM 0 HA SER A 26 19.870 1.697 -4.903 1.00 62.44 H new ATOM 0 HB2 SER A 26 19.715 2.088 -2.419 1.00 74.33 H new ATOM 0 HB3 SER A 26 19.612 0.355 -2.176 1.00 74.33 H new ATOM 0 HG SER A 26 21.700 0.476 -3.626 1.00 55.42 H new ATOM 387 N LEU A 27 18.669 -1.224 -4.967 1.00 24.33 N ATOM 388 CA LEU A 27 18.820 -2.583 -5.476 1.00 24.15 C ATOM 389 C LEU A 27 17.536 -3.059 -6.146 1.00 32.40 C ATOM 390 O LEU A 27 16.434 -2.747 -5.693 1.00 62.51 O ATOM 391 CB LEU A 27 19.200 -3.535 -4.340 1.00 15.14 C ATOM 392 CG LEU A 27 18.800 -4.999 -4.529 1.00 10.31 C ATOM 393 CD1 LEU A 27 17.291 -5.158 -4.423 1.00 23.34 C ATOM 394 CD2 LEU A 27 19.300 -5.519 -5.869 1.00 21.14 C ATOM 0 H LEU A 27 17.705 -0.948 -4.781 1.00 24.33 H new ATOM 0 HA LEU A 27 19.616 -2.580 -6.220 1.00 24.15 H new ATOM 0 HB2 LEU A 27 20.280 -3.489 -4.201 1.00 15.14 H new ATOM 0 HB3 LEU A 27 18.744 -3.171 -3.419 1.00 15.14 H new ATOM 0 HG LEU A 27 19.263 -5.588 -3.737 1.00 10.31 H new ATOM 0 HD11 LEU A 27 17.025 -6.206 -4.560 1.00 23.34 H new ATOM 0 HD12 LEU A 27 16.958 -4.825 -3.440 1.00 23.34 H new ATOM 0 HD13 LEU A 27 16.807 -4.557 -5.193 1.00 23.34 H new ATOM 0 HD21 LEU A 27 19.007 -6.562 -5.987 1.00 21.14 H new ATOM 0 HD22 LEU A 27 18.866 -4.927 -6.674 1.00 21.14 H new ATOM 0 HD23 LEU A 27 20.387 -5.441 -5.907 1.00 21.14 H new ATOM 406 N PHE A 28 17.685 -3.819 -7.227 1.00 12.55 N ATOM 407 CA PHE A 28 16.537 -4.339 -7.959 1.00 75.50 C ATOM 408 C PHE A 28 16.782 -5.778 -8.404 1.00 23.33 C ATOM 409 O PHE A 28 17.881 -6.127 -8.834 1.00 61.12 O ATOM 410 CB PHE A 28 16.240 -3.461 -9.176 1.00 61.13 C ATOM 411 CG PHE A 28 15.102 -3.966 -10.017 1.00 2.11 C ATOM 412 CD1 PHE A 28 13.935 -4.422 -9.425 1.00 43.31 C ATOM 413 CD2 PHE A 28 15.200 -3.985 -11.399 1.00 12.01 C ATOM 414 CE1 PHE A 28 12.886 -4.886 -10.196 1.00 21.43 C ATOM 415 CE2 PHE A 28 14.154 -4.448 -12.175 1.00 31.14 C ATOM 416 CZ PHE A 28 12.996 -4.901 -11.572 1.00 42.43 C ATOM 0 H PHE A 28 18.589 -4.088 -7.615 1.00 12.55 H new ATOM 0 HA PHE A 28 15.676 -4.325 -7.291 1.00 75.50 H new ATOM 0 HB2 PHE A 28 16.011 -2.451 -8.838 1.00 61.13 H new ATOM 0 HB3 PHE A 28 17.136 -3.395 -9.793 1.00 61.13 H new ATOM 0 HD1 PHE A 28 13.844 -4.415 -8.349 1.00 43.31 H new ATOM 0 HD2 PHE A 28 16.104 -3.634 -11.875 1.00 12.01 H new ATOM 0 HE1 PHE A 28 11.981 -5.237 -9.722 1.00 21.43 H new ATOM 0 HE2 PHE A 28 14.242 -4.456 -13.251 1.00 31.14 H new ATOM 0 HZ PHE A 28 12.179 -5.266 -12.176 1.00 42.43 H new ATOM 426 N ALA A 29 15.751 -6.609 -8.295 1.00 73.24 N ATOM 427 CA ALA A 29 15.853 -8.009 -8.687 1.00 62.42 C ATOM 428 C ALA A 29 14.768 -8.379 -9.693 1.00 44.34 C ATOM 429 O ALA A 29 13.743 -7.705 -9.791 1.00 51.52 O ATOM 430 CB ALA A 29 15.768 -8.908 -7.462 1.00 55.23 C ATOM 0 H ALA A 29 14.835 -6.337 -7.938 1.00 73.24 H new ATOM 0 HA ALA A 29 16.821 -8.156 -9.166 1.00 62.42 H new ATOM 0 HB1 ALA A 29 15.846 -9.951 -7.770 1.00 55.23 H new ATOM 0 HB2 ALA A 29 16.583 -8.670 -6.779 1.00 55.23 H new ATOM 0 HB3 ALA A 29 14.814 -8.748 -6.959 1.00 55.23 H new ATOM 436 N PHE A 30 15.002 -9.453 -10.440 1.00 54.11 N ATOM 437 CA PHE A 30 14.045 -9.911 -11.441 1.00 14.14 C ATOM 438 C PHE A 30 14.051 -11.433 -11.543 1.00 21.33 C ATOM 439 O PHE A 30 15.047 -12.036 -11.946 1.00 54.42 O ATOM 440 CB PHE A 30 14.366 -9.296 -12.804 1.00 43.41 C ATOM 441 CG PHE A 30 13.414 -9.711 -13.889 1.00 22.11 C ATOM 442 CD1 PHE A 30 13.364 -11.028 -14.318 1.00 13.42 C ATOM 443 CD2 PHE A 30 12.570 -8.785 -14.480 1.00 40.02 C ATOM 444 CE1 PHE A 30 12.488 -11.413 -15.316 1.00 24.53 C ATOM 445 CE2 PHE A 30 11.692 -9.165 -15.478 1.00 5.00 C ATOM 446 CZ PHE A 30 11.652 -10.480 -15.897 1.00 65.51 C ATOM 0 H PHE A 30 15.846 -10.022 -10.371 1.00 54.11 H new ATOM 0 HA PHE A 30 13.051 -9.589 -11.130 1.00 14.14 H new ATOM 0 HB2 PHE A 30 14.352 -8.210 -12.716 1.00 43.41 H new ATOM 0 HB3 PHE A 30 15.378 -9.579 -13.092 1.00 43.41 H new ATOM 0 HD1 PHE A 30 14.016 -11.762 -13.868 1.00 13.42 H new ATOM 0 HD2 PHE A 30 12.598 -7.755 -14.157 1.00 40.02 H new ATOM 0 HE1 PHE A 30 12.458 -12.443 -15.641 1.00 24.53 H new ATOM 0 HE2 PHE A 30 11.038 -8.434 -15.930 1.00 5.00 H new ATOM 0 HZ PHE A 30 10.968 -10.778 -16.678 1.00 65.51 H new ATOM 456 N HIS A 31 12.933 -12.050 -11.174 1.00 31.14 N ATOM 457 CA HIS A 31 12.809 -13.503 -11.223 1.00 53.53 C ATOM 458 C HIS A 31 11.376 -13.915 -11.546 1.00 15.43 C ATOM 459 O HIS A 31 10.532 -14.013 -10.655 1.00 41.35 O ATOM 460 CB HIS A 31 13.242 -14.118 -9.892 1.00 73.35 C ATOM 461 CG HIS A 31 14.517 -14.899 -9.980 1.00 41.53 C ATOM 462 ND1 HIS A 31 14.553 -16.263 -10.178 1.00 52.31 N ATOM 463 CD2 HIS A 31 15.807 -14.498 -9.898 1.00 4.13 C ATOM 464 CE1 HIS A 31 15.810 -16.668 -10.212 1.00 13.24 C ATOM 465 NE2 HIS A 31 16.591 -15.616 -10.044 1.00 60.03 N ATOM 0 H HIS A 31 12.100 -11.567 -10.838 1.00 31.14 H new ATOM 0 HA HIS A 31 13.461 -13.873 -12.014 1.00 53.53 H new ATOM 0 HB2 HIS A 31 13.362 -13.323 -9.156 1.00 73.35 H new ATOM 0 HB3 HIS A 31 12.449 -14.772 -9.528 1.00 73.35 H new ATOM 0 HD1 HIS A 31 13.736 -16.865 -10.282 1.00 52.31 H new ATOM 0 HD2 HIS A 31 16.155 -13.487 -9.746 1.00 4.13 H new ATOM 0 HE1 HIS A 31 16.142 -17.686 -10.353 1.00 13.24 H new ATOM 473 N GLY A 32 11.107 -14.154 -12.826 1.00 2.01 N ATOM 474 CA GLY A 32 9.775 -14.551 -13.243 1.00 22.51 C ATOM 475 C GLY A 32 9.798 -15.523 -14.406 1.00 53.34 C ATOM 476 O GLY A 32 10.863 -15.860 -14.923 1.00 50.15 O ATOM 0 H GLY A 32 11.788 -14.080 -13.582 1.00 2.01 H new ATOM 0 HA2 GLY A 32 9.255 -15.008 -12.401 1.00 22.51 H new ATOM 0 HA3 GLY A 32 9.207 -13.665 -13.525 1.00 22.51 H new ATOM 480 N LYS A 33 8.619 -15.976 -14.819 1.00 50.05 N ATOM 481 CA LYS A 33 8.506 -16.915 -15.929 1.00 71.11 C ATOM 482 C LYS A 33 7.485 -16.428 -16.952 1.00 75.21 C ATOM 483 O LYS A 33 7.087 -15.262 -16.941 1.00 32.40 O ATOM 484 CB LYS A 33 8.107 -18.300 -15.414 1.00 1.33 C ATOM 485 CG LYS A 33 8.800 -18.690 -14.120 1.00 0.24 C ATOM 486 CD LYS A 33 7.803 -19.155 -13.072 1.00 21.34 C ATOM 487 CE LYS A 33 7.364 -20.590 -13.319 1.00 32.43 C ATOM 488 NZ LYS A 33 8.193 -21.564 -12.555 1.00 42.53 N ATOM 0 H LYS A 33 7.728 -15.708 -14.401 1.00 50.05 H new ATOM 0 HA LYS A 33 9.479 -16.982 -16.416 1.00 71.11 H new ATOM 0 HB2 LYS A 33 7.028 -18.324 -15.260 1.00 1.33 H new ATOM 0 HB3 LYS A 33 8.337 -19.043 -16.178 1.00 1.33 H new ATOM 0 HG2 LYS A 33 9.520 -19.485 -14.317 1.00 0.24 H new ATOM 0 HG3 LYS A 33 9.362 -17.839 -13.736 1.00 0.24 H new ATOM 0 HD2 LYS A 33 8.251 -19.076 -12.081 1.00 21.34 H new ATOM 0 HD3 LYS A 33 6.932 -18.500 -13.081 1.00 21.34 H new ATOM 0 HE2 LYS A 33 6.318 -20.703 -13.036 1.00 32.43 H new ATOM 0 HE3 LYS A 33 7.432 -20.812 -14.384 1.00 32.43 H new ATOM 0 HZ1 LYS A 33 7.862 -22.530 -12.751 1.00 42.53 H new ATOM 0 HZ2 LYS A 33 9.188 -21.474 -12.843 1.00 42.53 H new ATOM 0 HZ3 LYS A 33 8.108 -21.369 -11.537 1.00 42.53 H new ATOM 502 N LEU A 34 7.063 -17.327 -17.834 1.00 34.50 N ATOM 503 CA LEU A 34 6.085 -16.990 -18.863 1.00 45.23 C ATOM 504 C LEU A 34 5.032 -18.085 -18.994 1.00 51.13 C ATOM 505 O LEU A 34 5.316 -19.262 -18.778 1.00 20.12 O ATOM 506 CB LEU A 34 6.784 -16.775 -20.207 1.00 24.30 C ATOM 507 CG LEU A 34 5.869 -16.622 -21.422 1.00 44.45 C ATOM 508 CD1 LEU A 34 5.270 -15.225 -21.466 1.00 14.21 C ATOM 509 CD2 LEU A 34 6.633 -16.916 -22.705 1.00 70.34 C ATOM 0 H LEU A 34 7.383 -18.295 -17.858 1.00 34.50 H new ATOM 0 HA LEU A 34 5.587 -16.067 -18.567 1.00 45.23 H new ATOM 0 HB2 LEU A 34 7.407 -15.884 -20.132 1.00 24.30 H new ATOM 0 HB3 LEU A 34 7.453 -17.617 -20.385 1.00 24.30 H new ATOM 0 HG LEU A 34 5.055 -17.342 -21.333 1.00 44.45 H new ATOM 0 HD11 LEU A 34 4.622 -15.134 -22.337 1.00 14.21 H new ATOM 0 HD12 LEU A 34 4.688 -15.050 -20.561 1.00 14.21 H new ATOM 0 HD13 LEU A 34 6.070 -14.488 -21.531 1.00 14.21 H new ATOM 0 HD21 LEU A 34 5.966 -16.802 -23.560 1.00 70.34 H new ATOM 0 HD22 LEU A 34 7.466 -16.220 -22.800 1.00 70.34 H new ATOM 0 HD23 LEU A 34 7.014 -17.937 -22.676 1.00 70.34 H new ATOM 521 N ASN A 35 3.815 -17.688 -19.352 1.00 71.42 N ATOM 522 CA ASN A 35 2.719 -18.637 -19.514 1.00 12.30 C ATOM 523 C ASN A 35 2.621 -19.566 -18.308 1.00 61.11 C ATOM 524 O ASN A 35 2.029 -20.642 -18.388 1.00 44.02 O ATOM 525 CB ASN A 35 2.911 -19.458 -20.791 1.00 4.24 C ATOM 526 CG ASN A 35 2.404 -18.737 -22.024 1.00 55.51 C ATOM 527 OD1 ASN A 35 2.604 -17.424 -22.067 1.00 31.11 O flip ATOM 528 ND2 ASN A 35 1.838 -19.352 -22.928 1.00 21.54 N flip ATOM 0 H ASN A 35 3.563 -16.717 -19.535 1.00 71.42 H new ATOM 0 HA ASN A 35 1.790 -18.071 -19.591 1.00 12.30 H new ATOM 0 HB2 ASN A 35 3.969 -19.687 -20.917 1.00 4.24 H new ATOM 0 HB3 ASN A 35 2.389 -20.410 -20.690 1.00 4.24 H new ATOM 0 HD21 ASN A 35 1.706 -20.361 -22.853 1.00 21.54 H new ATOM 0 HD22 ASN A 35 1.502 -18.853 -23.751 1.00 21.54 H new ATOM 535 N GLU A 36 3.205 -19.142 -17.192 1.00 3.22 N ATOM 536 CA GLU A 36 3.184 -19.937 -15.970 1.00 11.35 C ATOM 537 C GLU A 36 3.494 -19.071 -14.752 1.00 15.41 C ATOM 538 O GLU A 36 4.323 -18.164 -14.818 1.00 30.25 O ATOM 539 CB GLU A 36 4.192 -21.084 -16.063 1.00 3.31 C ATOM 540 CG GLU A 36 4.205 -21.984 -14.839 1.00 60.10 C ATOM 541 CD GLU A 36 3.631 -23.359 -15.120 1.00 73.02 C ATOM 542 OE1 GLU A 36 2.796 -23.475 -16.042 1.00 32.42 O ATOM 543 OE2 GLU A 36 4.015 -24.318 -14.419 1.00 64.13 O ATOM 0 H GLU A 36 3.698 -18.253 -17.109 1.00 3.22 H new ATOM 0 HA GLU A 36 2.183 -20.352 -15.855 1.00 11.35 H new ATOM 0 HB2 GLU A 36 3.965 -21.685 -16.943 1.00 3.31 H new ATOM 0 HB3 GLU A 36 5.189 -20.669 -16.209 1.00 3.31 H new ATOM 0 HG2 GLU A 36 5.229 -22.088 -14.480 1.00 60.10 H new ATOM 0 HG3 GLU A 36 3.634 -21.512 -14.040 1.00 60.10 H new ATOM 550 N GLU A 37 2.820 -19.357 -13.642 1.00 73.33 N ATOM 551 CA GLU A 37 3.022 -18.604 -12.410 1.00 51.34 C ATOM 552 C GLU A 37 3.662 -19.479 -11.336 1.00 53.32 C ATOM 553 O GLU A 37 3.558 -20.704 -11.376 1.00 63.24 O ATOM 554 CB GLU A 37 1.690 -18.046 -11.903 1.00 45.01 C ATOM 555 CG GLU A 37 0.728 -19.116 -11.417 1.00 73.43 C ATOM 556 CD GLU A 37 -0.298 -18.578 -10.439 1.00 2.03 C ATOM 557 OE1 GLU A 37 -0.650 -17.385 -10.547 1.00 15.35 O ATOM 558 OE2 GLU A 37 -0.747 -19.349 -9.565 1.00 53.13 O ATOM 0 H GLU A 37 2.130 -20.105 -13.571 1.00 73.33 H new ATOM 0 HA GLU A 37 3.696 -17.775 -12.627 1.00 51.34 H new ATOM 0 HB2 GLU A 37 1.885 -17.347 -11.089 1.00 45.01 H new ATOM 0 HB3 GLU A 37 1.215 -17.479 -12.703 1.00 45.01 H new ATOM 0 HG2 GLU A 37 0.214 -19.553 -12.273 1.00 73.43 H new ATOM 0 HG3 GLU A 37 1.293 -19.918 -10.941 1.00 73.43 H new ATOM 565 N MET A 38 4.323 -18.839 -10.377 1.00 64.23 N ATOM 566 CA MET A 38 4.980 -19.559 -9.292 1.00 14.32 C ATOM 567 C MET A 38 4.131 -19.522 -8.024 1.00 64.35 C ATOM 568 O MET A 38 3.039 -18.956 -8.015 1.00 2.33 O ATOM 569 CB MET A 38 6.359 -18.958 -9.014 1.00 31.03 C ATOM 570 CG MET A 38 6.402 -17.445 -9.153 1.00 42.02 C ATOM 571 SD MET A 38 6.883 -16.913 -10.808 1.00 32.52 S ATOM 572 CE MET A 38 8.628 -16.591 -10.566 1.00 61.23 C ATOM 0 H MET A 38 4.418 -17.825 -10.329 1.00 64.23 H new ATOM 0 HA MET A 38 5.100 -20.598 -9.598 1.00 14.32 H new ATOM 0 HB2 MET A 38 6.668 -19.231 -8.005 1.00 31.03 H new ATOM 0 HB3 MET A 38 7.083 -19.398 -9.700 1.00 31.03 H new ATOM 0 HG2 MET A 38 5.421 -17.034 -8.914 1.00 42.02 H new ATOM 0 HG3 MET A 38 7.104 -17.037 -8.426 1.00 42.02 H new ATOM 0 HE1 MET A 38 9.143 -16.637 -11.526 1.00 61.23 H new ATOM 0 HE2 MET A 38 8.758 -15.600 -10.131 1.00 61.23 H new ATOM 0 HE3 MET A 38 9.046 -17.340 -9.894 1.00 61.23 H new ATOM 582 N GLU A 39 4.642 -20.131 -6.958 1.00 52.52 N ATOM 583 CA GLU A 39 3.929 -20.168 -5.687 1.00 1.43 C ATOM 584 C GLU A 39 4.655 -19.338 -4.632 1.00 11.43 C ATOM 585 O GLU A 39 5.878 -19.399 -4.511 1.00 34.01 O ATOM 586 CB GLU A 39 3.780 -21.611 -5.202 1.00 24.31 C ATOM 587 CG GLU A 39 2.336 -22.059 -5.056 1.00 54.33 C ATOM 588 CD GLU A 39 2.154 -23.541 -5.321 1.00 4.23 C ATOM 589 OE1 GLU A 39 1.939 -23.913 -6.493 1.00 24.00 O ATOM 590 OE2 GLU A 39 2.228 -24.328 -4.354 1.00 71.52 O ATOM 0 H GLU A 39 5.545 -20.604 -6.950 1.00 52.52 H new ATOM 0 HA GLU A 39 2.938 -19.741 -5.843 1.00 1.43 H new ATOM 0 HB2 GLU A 39 4.288 -22.275 -5.902 1.00 24.31 H new ATOM 0 HB3 GLU A 39 4.283 -21.716 -4.241 1.00 24.31 H new ATOM 0 HG2 GLU A 39 1.988 -21.829 -4.049 1.00 54.33 H new ATOM 0 HG3 GLU A 39 1.712 -21.491 -5.746 1.00 54.33 H new ATOM 597 N GLY A 40 3.891 -18.560 -3.870 1.00 30.31 N ATOM 598 CA GLY A 40 4.478 -17.728 -2.836 1.00 33.33 C ATOM 599 C GLY A 40 5.540 -16.792 -3.378 1.00 33.44 C ATOM 600 O GLY A 40 5.236 -15.679 -3.808 1.00 11.23 O ATOM 0 H GLY A 40 2.877 -18.491 -3.951 1.00 30.31 H new ATOM 0 HA2 GLY A 40 3.694 -17.143 -2.356 1.00 33.33 H new ATOM 0 HA3 GLY A 40 4.917 -18.364 -2.068 1.00 33.33 H new ATOM 604 N LEU A 41 6.789 -17.243 -3.356 1.00 43.43 N ATOM 605 CA LEU A 41 7.901 -16.437 -3.848 1.00 45.30 C ATOM 606 C LEU A 41 9.142 -17.297 -4.067 1.00 2.45 C ATOM 607 O LEU A 41 9.947 -17.484 -3.155 1.00 3.50 O ATOM 608 CB LEU A 41 8.215 -15.310 -2.863 1.00 2.45 C ATOM 609 CG LEU A 41 8.294 -15.709 -1.389 1.00 24.42 C ATOM 610 CD1 LEU A 41 9.744 -15.806 -0.939 1.00 60.32 C ATOM 611 CD2 LEU A 41 7.532 -14.716 -0.525 1.00 15.31 C ATOM 0 H LEU A 41 7.057 -18.162 -3.003 1.00 43.43 H new ATOM 0 HA LEU A 41 7.608 -16.004 -4.804 1.00 45.30 H new ATOM 0 HB2 LEU A 41 9.166 -14.860 -3.148 1.00 2.45 H new ATOM 0 HB3 LEU A 41 7.452 -14.539 -2.969 1.00 2.45 H new ATOM 0 HG LEU A 41 7.832 -16.690 -1.274 1.00 24.42 H new ATOM 0 HD11 LEU A 41 9.780 -16.091 0.112 1.00 60.32 H new ATOM 0 HD12 LEU A 41 10.261 -16.557 -1.537 1.00 60.32 H new ATOM 0 HD13 LEU A 41 10.231 -14.840 -1.070 1.00 60.32 H new ATOM 0 HD21 LEU A 41 7.600 -15.017 0.521 1.00 15.31 H new ATOM 0 HD22 LEU A 41 7.964 -13.722 -0.646 1.00 15.31 H new ATOM 0 HD23 LEU A 41 6.486 -14.696 -0.830 1.00 15.31 H new ATOM 623 N GLU A 42 9.290 -17.815 -5.282 1.00 21.24 N ATOM 624 CA GLU A 42 10.434 -18.654 -5.619 1.00 61.04 C ATOM 625 C GLU A 42 11.108 -18.165 -6.898 1.00 62.53 C ATOM 626 O GLU A 42 10.615 -17.256 -7.564 1.00 11.52 O ATOM 627 CB GLU A 42 9.996 -20.110 -5.785 1.00 75.53 C ATOM 628 CG GLU A 42 9.229 -20.373 -7.071 1.00 11.43 C ATOM 629 CD GLU A 42 9.400 -21.793 -7.573 1.00 22.22 C ATOM 630 OE1 GLU A 42 9.430 -22.719 -6.736 1.00 24.32 O ATOM 631 OE2 GLU A 42 9.504 -21.978 -8.804 1.00 33.34 O ATOM 0 H GLU A 42 8.633 -17.669 -6.048 1.00 21.24 H new ATOM 0 HA GLU A 42 11.153 -18.590 -4.802 1.00 61.04 H new ATOM 0 HB2 GLU A 42 10.877 -20.751 -5.760 1.00 75.53 H new ATOM 0 HB3 GLU A 42 9.373 -20.392 -4.936 1.00 75.53 H new ATOM 0 HG2 GLU A 42 8.170 -20.176 -6.905 1.00 11.43 H new ATOM 0 HG3 GLU A 42 9.566 -19.677 -7.839 1.00 11.43 H new ATOM 638 N ALA A 43 12.239 -18.777 -7.235 1.00 2.03 N ATOM 639 CA ALA A 43 12.981 -18.406 -8.434 1.00 33.24 C ATOM 640 C ALA A 43 12.448 -19.142 -9.658 1.00 71.42 C ATOM 641 O ALA A 43 12.749 -20.317 -9.868 1.00 52.43 O ATOM 642 CB ALA A 43 14.463 -18.693 -8.247 1.00 3.51 C ATOM 0 H ALA A 43 12.661 -19.532 -6.694 1.00 2.03 H new ATOM 0 HA ALA A 43 12.847 -17.337 -8.598 1.00 33.24 H new ATOM 0 HB1 ALA A 43 15.005 -18.411 -9.150 1.00 3.51 H new ATOM 0 HB2 ALA A 43 14.841 -18.117 -7.402 1.00 3.51 H new ATOM 0 HB3 ALA A 43 14.606 -19.756 -8.055 1.00 3.51 H new ATOM 648 N GLY A 44 11.654 -18.444 -10.464 1.00 14.00 N ATOM 649 CA GLY A 44 11.091 -19.048 -11.657 1.00 71.43 C ATOM 650 C GLY A 44 12.157 -19.503 -12.635 1.00 33.35 C ATOM 651 O GLY A 44 12.991 -20.348 -12.306 1.00 53.22 O ATOM 0 H GLY A 44 11.391 -17.470 -10.312 1.00 14.00 H new ATOM 0 HA2 GLY A 44 10.475 -19.901 -11.373 1.00 71.43 H new ATOM 0 HA3 GLY A 44 10.434 -18.330 -12.148 1.00 71.43 H new ATOM 655 N HIS A 45 12.130 -18.944 -13.840 1.00 75.01 N ATOM 656 CA HIS A 45 13.101 -19.298 -14.869 1.00 74.23 C ATOM 657 C HIS A 45 14.161 -18.211 -15.013 1.00 2.12 C ATOM 658 O HIS A 45 15.359 -18.490 -14.971 1.00 64.13 O ATOM 659 CB HIS A 45 12.398 -19.521 -16.209 1.00 35.14 C ATOM 660 CG HIS A 45 12.623 -20.886 -16.783 1.00 53.34 C ATOM 661 ND1 HIS A 45 12.134 -22.037 -16.202 1.00 65.05 N ATOM 662 CD2 HIS A 45 13.287 -21.280 -17.895 1.00 1.50 C ATOM 663 CE1 HIS A 45 12.490 -23.080 -16.931 1.00 24.12 C ATOM 664 NE2 HIS A 45 13.190 -22.648 -17.964 1.00 4.40 N ATOM 0 H HIS A 45 11.446 -18.244 -14.128 1.00 75.01 H new ATOM 0 HA HIS A 45 13.592 -20.223 -14.566 1.00 74.23 H new ATOM 0 HB2 HIS A 45 11.327 -19.362 -16.079 1.00 35.14 H new ATOM 0 HB3 HIS A 45 12.747 -18.774 -16.922 1.00 35.14 H new ATOM 0 HD2 HIS A 45 13.798 -20.638 -18.597 1.00 1.50 H new ATOM 0 HE1 HIS A 45 12.249 -24.111 -16.718 1.00 24.12 H new ATOM 0 HE2 HIS A 45 13.593 -23.235 -18.694 1.00 4.40 H new ATOM 672 N TRP A 46 13.712 -16.973 -15.182 1.00 44.43 N ATOM 673 CA TRP A 46 14.623 -15.844 -15.333 1.00 4.52 C ATOM 674 C TRP A 46 15.337 -15.541 -14.020 1.00 21.11 C ATOM 675 O TRP A 46 14.935 -16.020 -12.960 1.00 12.35 O ATOM 676 CB TRP A 46 13.861 -14.606 -15.810 1.00 32.52 C ATOM 677 CG TRP A 46 13.269 -14.764 -17.178 1.00 23.21 C ATOM 678 CD1 TRP A 46 13.914 -15.185 -18.306 1.00 10.30 C ATOM 679 CD2 TRP A 46 11.915 -14.501 -17.562 1.00 22.44 C ATOM 680 NE1 TRP A 46 13.042 -15.199 -19.368 1.00 21.21 N ATOM 681 CE2 TRP A 46 11.809 -14.785 -18.937 1.00 65.23 C ATOM 682 CE3 TRP A 46 10.781 -14.056 -16.877 1.00 24.22 C ATOM 683 CZ2 TRP A 46 10.616 -14.636 -19.638 1.00 74.31 C ATOM 684 CZ3 TRP A 46 9.597 -13.909 -17.574 1.00 4.42 C ATOM 685 CH2 TRP A 46 9.521 -14.199 -18.943 1.00 4.44 C ATOM 0 H TRP A 46 12.723 -16.725 -15.218 1.00 44.43 H new ATOM 0 HA TRP A 46 15.371 -16.111 -16.079 1.00 4.52 H new ATOM 0 HB2 TRP A 46 13.064 -14.383 -15.101 1.00 32.52 H new ATOM 0 HB3 TRP A 46 14.536 -13.750 -15.811 1.00 32.52 H new ATOM 0 HD1 TRP A 46 14.956 -15.466 -18.356 1.00 10.30 H new ATOM 0 HE1 TRP A 46 13.275 -15.473 -20.322 1.00 21.21 H new ATOM 0 HE3 TRP A 46 10.829 -13.831 -15.822 1.00 24.22 H new ATOM 0 HZ2 TRP A 46 10.556 -14.857 -20.693 1.00 74.31 H new ATOM 0 HZ3 TRP A 46 8.715 -13.565 -17.055 1.00 4.42 H new ATOM 0 HH2 TRP A 46 8.581 -14.075 -19.459 1.00 4.44 H new ATOM 696 N SER A 47 16.398 -14.744 -14.098 1.00 12.12 N ATOM 697 CA SER A 47 17.170 -14.381 -12.915 1.00 54.20 C ATOM 698 C SER A 47 18.076 -13.188 -13.203 1.00 10.20 C ATOM 699 O SER A 47 18.886 -13.219 -14.130 1.00 15.21 O ATOM 700 CB SER A 47 18.008 -15.570 -12.442 1.00 72.00 C ATOM 701 OG SER A 47 18.970 -15.935 -13.416 1.00 23.01 O ATOM 0 H SER A 47 16.743 -14.337 -14.968 1.00 12.12 H new ATOM 0 HA SER A 47 16.471 -14.102 -12.127 1.00 54.20 H new ATOM 0 HB2 SER A 47 18.510 -15.317 -11.508 1.00 72.00 H new ATOM 0 HB3 SER A 47 17.356 -16.419 -12.234 1.00 72.00 H new ATOM 0 HG SER A 47 19.140 -15.174 -14.009 1.00 23.01 H new ATOM 707 N ARG A 48 17.933 -12.137 -12.401 1.00 63.35 N ATOM 708 CA ARG A 48 18.737 -10.933 -12.570 1.00 4.10 C ATOM 709 C ARG A 48 18.643 -10.039 -11.337 1.00 33.01 C ATOM 710 O ARG A 48 17.591 -9.947 -10.704 1.00 12.00 O ATOM 711 CB ARG A 48 18.283 -10.160 -13.809 1.00 41.05 C ATOM 712 CG ARG A 48 19.093 -8.901 -14.073 1.00 13.23 C ATOM 713 CD ARG A 48 20.561 -9.221 -14.307 1.00 73.21 C ATOM 714 NE ARG A 48 20.743 -10.205 -15.371 1.00 41.21 N ATOM 715 CZ ARG A 48 21.926 -10.519 -15.886 1.00 65.32 C ATOM 716 NH1 ARG A 48 23.026 -9.931 -15.437 1.00 3.21 N ATOM 717 NH2 ARG A 48 22.011 -11.425 -16.852 1.00 43.35 N ATOM 0 H ARG A 48 17.268 -12.096 -11.629 1.00 63.35 H new ATOM 0 HA ARG A 48 19.776 -11.236 -12.700 1.00 4.10 H new ATOM 0 HB2 ARG A 48 18.349 -10.813 -14.679 1.00 41.05 H new ATOM 0 HB3 ARG A 48 17.234 -9.889 -13.693 1.00 41.05 H new ATOM 0 HG2 ARG A 48 18.689 -8.383 -14.943 1.00 13.23 H new ATOM 0 HG3 ARG A 48 18.998 -8.222 -13.226 1.00 13.23 H new ATOM 0 HD2 ARG A 48 21.095 -8.306 -14.564 1.00 73.21 H new ATOM 0 HD3 ARG A 48 21.001 -9.599 -13.384 1.00 73.21 H new ATOM 0 HE ARG A 48 19.917 -10.677 -15.738 1.00 41.21 H new ATOM 0 HH11 ARG A 48 22.965 -9.235 -14.694 1.00 3.21 H new ATOM 0 HH12 ARG A 48 23.933 -10.175 -15.835 1.00 3.21 H new ATOM 0 HH21 ARG A 48 21.167 -11.881 -17.199 1.00 43.35 H new ATOM 0 HH22 ARG A 48 22.920 -11.666 -17.247 1.00 43.35 H new ATOM 731 N ASP A 49 19.748 -9.383 -11.002 1.00 23.31 N ATOM 732 CA ASP A 49 19.790 -8.496 -9.845 1.00 63.21 C ATOM 733 C ASP A 49 20.584 -7.232 -10.158 1.00 44.03 C ATOM 734 O ASP A 49 21.815 -7.235 -10.121 1.00 22.32 O ATOM 735 CB ASP A 49 20.407 -9.217 -8.645 1.00 41.32 C ATOM 736 CG ASP A 49 19.443 -9.333 -7.481 1.00 74.13 C ATOM 737 OD1 ASP A 49 19.389 -8.395 -6.659 1.00 14.51 O ATOM 738 OD2 ASP A 49 18.741 -10.362 -7.393 1.00 61.23 O ATOM 0 H ASP A 49 20.627 -9.448 -11.515 1.00 23.31 H new ATOM 0 HA ASP A 49 18.767 -8.210 -9.600 1.00 63.21 H new ATOM 0 HB2 ASP A 49 20.727 -10.214 -8.949 1.00 41.32 H new ATOM 0 HB3 ASP A 49 21.299 -8.681 -8.322 1.00 41.32 H new ATOM 743 N ILE A 50 19.872 -6.154 -10.468 1.00 5.31 N ATOM 744 CA ILE A 50 20.511 -4.883 -10.788 1.00 21.05 C ATOM 745 C ILE A 50 20.757 -4.059 -9.528 1.00 64.41 C ATOM 746 O ILE A 50 19.817 -3.639 -8.853 1.00 51.23 O ATOM 747 CB ILE A 50 19.660 -4.057 -11.770 1.00 1.54 C ATOM 748 CG1 ILE A 50 19.157 -4.941 -12.912 1.00 33.41 C ATOM 749 CG2 ILE A 50 20.466 -2.887 -12.314 1.00 41.32 C ATOM 750 CD1 ILE A 50 20.206 -5.226 -13.963 1.00 43.13 C ATOM 0 H ILE A 50 18.853 -6.135 -10.504 1.00 5.31 H new ATOM 0 HA ILE A 50 21.466 -5.119 -11.257 1.00 21.05 H new ATOM 0 HB ILE A 50 18.797 -3.661 -11.235 1.00 1.54 H new ATOM 0 HG12 ILE A 50 18.801 -5.885 -12.500 1.00 33.41 H new ATOM 0 HG13 ILE A 50 18.302 -4.458 -13.385 1.00 33.41 H new ATOM 0 HG21 ILE A 50 19.851 -2.312 -13.007 1.00 41.32 H new ATOM 0 HG22 ILE A 50 20.779 -2.246 -11.490 1.00 41.32 H new ATOM 0 HG23 ILE A 50 21.346 -3.263 -12.836 1.00 41.32 H new ATOM 0 HD11 ILE A 50 19.779 -5.858 -14.741 1.00 43.13 H new ATOM 0 HD12 ILE A 50 20.545 -4.288 -14.403 1.00 43.13 H new ATOM 0 HD13 ILE A 50 21.052 -5.738 -13.504 1.00 43.13 H new ATOM 762 N THR A 51 22.029 -3.830 -9.217 1.00 24.24 N ATOM 763 CA THR A 51 22.400 -3.056 -8.039 1.00 24.12 C ATOM 764 C THR A 51 22.843 -1.649 -8.423 1.00 12.32 C ATOM 765 O THR A 51 23.717 -1.065 -7.782 1.00 12.32 O ATOM 766 CB THR A 51 23.533 -3.741 -7.250 1.00 52.34 C ATOM 767 OG1 THR A 51 24.668 -3.943 -8.100 1.00 31.25 O ATOM 768 CG2 THR A 51 23.070 -5.076 -6.687 1.00 53.14 C ATOM 0 H THR A 51 22.820 -4.170 -9.765 1.00 24.24 H new ATOM 0 HA THR A 51 21.513 -2.996 -7.408 1.00 24.12 H new ATOM 0 HB THR A 51 23.812 -3.092 -6.420 1.00 52.34 H new ATOM 0 HG1 THR A 51 25.384 -4.377 -7.591 1.00 31.25 H new ATOM 0 HG21 THR A 51 23.887 -5.541 -6.134 1.00 53.14 H new ATOM 0 HG22 THR A 51 22.224 -4.915 -6.018 1.00 53.14 H new ATOM 0 HG23 THR A 51 22.767 -5.730 -7.504 1.00 53.14 H new ATOM 776 N LYS A 52 22.234 -1.108 -9.472 1.00 54.24 N ATOM 777 CA LYS A 52 22.563 0.233 -9.942 1.00 34.14 C ATOM 778 C LYS A 52 21.951 0.494 -11.314 1.00 52.42 C ATOM 779 O LYS A 52 22.131 -0.276 -12.258 1.00 3.32 O ATOM 780 CB LYS A 52 24.081 0.415 -10.005 1.00 72.01 C ATOM 781 CG LYS A 52 24.526 1.465 -11.009 1.00 20.53 C ATOM 782 CD LYS A 52 26.037 1.480 -11.166 1.00 63.44 C ATOM 783 CE LYS A 52 26.609 2.867 -10.922 1.00 4.55 C ATOM 784 NZ LYS A 52 27.661 3.217 -11.916 1.00 52.43 N ATOM 0 H LYS A 52 21.509 -1.578 -10.014 1.00 54.24 H new ATOM 0 HA LYS A 52 22.146 0.951 -9.236 1.00 34.14 H new ATOM 0 HB2 LYS A 52 24.447 0.692 -9.016 1.00 72.01 H new ATOM 0 HB3 LYS A 52 24.543 -0.539 -10.260 1.00 72.01 H new ATOM 0 HG2 LYS A 52 24.061 1.267 -11.975 1.00 20.53 H new ATOM 0 HG3 LYS A 52 24.183 2.448 -10.686 1.00 20.53 H new ATOM 0 HD2 LYS A 52 26.483 0.773 -10.467 1.00 63.44 H new ATOM 0 HD3 LYS A 52 26.303 1.147 -12.169 1.00 63.44 H new ATOM 0 HE2 LYS A 52 25.807 3.604 -10.968 1.00 4.55 H new ATOM 0 HE3 LYS A 52 27.029 2.915 -9.917 1.00 4.55 H new ATOM 0 HZ1 LYS A 52 28.025 4.170 -11.715 1.00 52.43 H new ATOM 0 HZ2 LYS A 52 28.439 2.529 -11.855 1.00 52.43 H new ATOM 0 HZ3 LYS A 52 27.255 3.197 -12.873 1.00 52.43 H new ATOM 798 N PRO A 53 21.211 1.607 -11.431 1.00 73.10 N ATOM 799 CA PRO A 53 20.559 1.996 -12.685 1.00 43.32 C ATOM 800 C PRO A 53 21.562 2.434 -13.748 1.00 32.05 C ATOM 801 O PRO A 53 22.750 2.592 -13.467 1.00 63.23 O ATOM 802 CB PRO A 53 19.670 3.172 -12.273 1.00 33.32 C ATOM 803 CG PRO A 53 20.326 3.737 -11.061 1.00 23.32 C ATOM 804 CD PRO A 53 20.953 2.571 -10.348 1.00 23.42 C ATOM 0 HA PRO A 53 20.012 1.167 -13.134 1.00 43.32 H new ATOM 0 HB2 PRO A 53 19.602 3.914 -13.068 1.00 33.32 H new ATOM 0 HB3 PRO A 53 18.654 2.843 -12.056 1.00 33.32 H new ATOM 0 HG2 PRO A 53 21.078 4.478 -11.334 1.00 23.32 H new ATOM 0 HG3 PRO A 53 19.600 4.240 -10.423 1.00 23.32 H new ATOM 0 HD2 PRO A 53 21.873 2.859 -9.839 1.00 23.42 H new ATOM 0 HD3 PRO A 53 20.286 2.157 -9.592 1.00 23.42 H new ATOM 812 N LYS A 54 21.076 2.629 -14.969 1.00 15.35 N ATOM 813 CA LYS A 54 21.928 3.051 -16.074 1.00 20.12 C ATOM 814 C LYS A 54 21.200 4.045 -16.974 1.00 25.53 C ATOM 815 O LYS A 54 21.584 4.250 -18.124 1.00 44.42 O ATOM 816 CB LYS A 54 22.374 1.837 -16.892 1.00 43.22 C ATOM 817 CG LYS A 54 21.279 1.261 -17.773 1.00 11.14 C ATOM 818 CD LYS A 54 20.360 0.339 -16.988 1.00 43.23 C ATOM 819 CE LYS A 54 20.376 -1.074 -17.551 1.00 5.05 C ATOM 820 NZ LYS A 54 21.390 -1.929 -16.873 1.00 1.11 N ATOM 0 H LYS A 54 20.095 2.501 -15.218 1.00 15.35 H new ATOM 0 HA LYS A 54 22.806 3.543 -15.656 1.00 20.12 H new ATOM 0 HB2 LYS A 54 23.220 2.122 -17.518 1.00 43.22 H new ATOM 0 HB3 LYS A 54 22.727 1.062 -16.212 1.00 43.22 H new ATOM 0 HG2 LYS A 54 20.696 2.073 -18.209 1.00 11.14 H new ATOM 0 HG3 LYS A 54 21.728 0.711 -18.600 1.00 11.14 H new ATOM 0 HD2 LYS A 54 20.669 0.319 -15.943 1.00 43.23 H new ATOM 0 HD3 LYS A 54 19.343 0.730 -17.012 1.00 43.23 H new ATOM 0 HE2 LYS A 54 19.389 -1.522 -17.437 1.00 5.05 H new ATOM 0 HE3 LYS A 54 20.588 -1.037 -18.620 1.00 5.05 H new ATOM 0 HZ1 LYS A 54 21.370 -2.884 -17.285 1.00 1.11 H new ATOM 0 HZ2 LYS A 54 22.335 -1.516 -17.003 1.00 1.11 H new ATOM 0 HZ3 LYS A 54 21.173 -1.985 -15.857 1.00 1.11 H new ATOM 834 N ASN A 55 20.149 4.659 -16.441 1.00 21.30 N ATOM 835 CA ASN A 55 19.369 5.632 -17.196 1.00 74.14 C ATOM 836 C ASN A 55 18.260 6.228 -16.334 1.00 5.13 C ATOM 837 O ASN A 55 17.150 6.466 -16.808 1.00 24.13 O ATOM 838 CB ASN A 55 18.765 4.977 -18.441 1.00 2.32 C ATOM 839 CG ASN A 55 18.545 5.969 -19.567 1.00 1.23 C ATOM 840 OD1 ASN A 55 19.432 6.198 -20.390 1.00 33.43 O ATOM 841 ND2 ASN A 55 17.359 6.564 -19.607 1.00 54.14 N ATOM 0 H ASN A 55 19.818 4.500 -15.489 1.00 21.30 H new ATOM 0 HA ASN A 55 20.038 6.436 -17.504 1.00 74.14 H new ATOM 0 HB2 ASN A 55 19.425 4.181 -18.786 1.00 2.32 H new ATOM 0 HB3 ASN A 55 17.814 4.512 -18.179 1.00 2.32 H new ATOM 0 HD21 ASN A 55 17.153 7.242 -20.341 1.00 54.14 H new ATOM 0 HD22 ASN A 55 16.654 6.343 -18.904 1.00 54.14 H new ATOM 848 N GLY A 56 18.571 6.468 -15.063 1.00 60.12 N ATOM 849 CA GLY A 56 17.592 7.035 -14.154 1.00 72.35 C ATOM 850 C GLY A 56 16.597 6.004 -13.658 1.00 2.33 C ATOM 851 O GLY A 56 15.863 6.252 -12.701 1.00 75.33 O ATOM 0 H GLY A 56 19.483 6.280 -14.647 1.00 60.12 H new ATOM 0 HA2 GLY A 56 18.106 7.479 -13.302 1.00 72.35 H new ATOM 0 HA3 GLY A 56 17.056 7.840 -14.657 1.00 72.35 H new ATOM 855 N ARG A 57 16.572 4.846 -14.309 1.00 51.33 N ATOM 856 CA ARG A 57 15.658 3.776 -13.930 1.00 33.11 C ATOM 857 C ARG A 57 16.330 2.413 -14.067 1.00 32.13 C ATOM 858 O ARG A 57 17.332 2.272 -14.767 1.00 62.12 O ATOM 859 CB ARG A 57 14.396 3.823 -14.794 1.00 2.51 C ATOM 860 CG ARG A 57 14.187 5.157 -15.494 1.00 21.45 C ATOM 861 CD ARG A 57 13.181 5.039 -16.628 1.00 64.40 C ATOM 862 NE ARG A 57 11.820 5.323 -16.184 1.00 55.10 N ATOM 863 CZ ARG A 57 11.037 4.427 -15.594 1.00 75.21 C ATOM 864 NH1 ARG A 57 11.478 3.196 -15.378 1.00 65.50 N ATOM 865 NH2 ARG A 57 9.809 4.762 -15.218 1.00 73.54 N ATOM 0 H ARG A 57 17.175 4.625 -15.102 1.00 51.33 H new ATOM 0 HA ARG A 57 15.381 3.923 -12.886 1.00 33.11 H new ATOM 0 HB2 ARG A 57 14.449 3.033 -15.543 1.00 2.51 H new ATOM 0 HB3 ARG A 57 13.529 3.611 -14.168 1.00 2.51 H new ATOM 0 HG2 ARG A 57 13.839 5.897 -14.773 1.00 21.45 H new ATOM 0 HG3 ARG A 57 15.138 5.517 -15.886 1.00 21.45 H new ATOM 0 HD2 ARG A 57 13.453 5.729 -17.427 1.00 64.40 H new ATOM 0 HD3 ARG A 57 13.223 4.034 -17.047 1.00 64.40 H new ATOM 0 HE ARG A 57 11.450 6.261 -16.335 1.00 55.10 H new ATOM 0 HH11 ARG A 57 12.421 2.934 -15.665 1.00 65.50 H new ATOM 0 HH12 ARG A 57 10.874 2.510 -14.925 1.00 65.50 H new ATOM 0 HH21 ARG A 57 9.466 5.708 -15.382 1.00 73.54 H new ATOM 0 HH22 ARG A 57 9.209 4.073 -14.765 1.00 73.54 H new ATOM 879 N TRP A 58 15.772 1.414 -13.393 1.00 75.22 N ATOM 880 CA TRP A 58 16.317 0.062 -13.439 1.00 44.03 C ATOM 881 C TRP A 58 15.772 -0.705 -14.639 1.00 12.31 C ATOM 882 O TRP A 58 14.642 -1.193 -14.613 1.00 15.30 O ATOM 883 CB TRP A 58 15.989 -0.687 -12.147 1.00 34.20 C ATOM 884 CG TRP A 58 16.106 0.165 -10.920 1.00 13.41 C ATOM 885 CD1 TRP A 58 15.243 1.144 -10.517 1.00 1.43 C ATOM 886 CD2 TRP A 58 17.147 0.116 -9.938 1.00 74.21 C ATOM 887 NE1 TRP A 58 15.685 1.706 -9.343 1.00 41.44 N ATOM 888 CE2 TRP A 58 16.850 1.092 -8.967 1.00 43.41 C ATOM 889 CE3 TRP A 58 18.299 -0.660 -9.783 1.00 53.34 C ATOM 890 CZ2 TRP A 58 17.666 1.313 -7.860 1.00 73.43 C ATOM 891 CZ3 TRP A 58 19.107 -0.440 -8.684 1.00 41.35 C ATOM 892 CH2 TRP A 58 18.787 0.539 -7.734 1.00 44.01 C ATOM 0 H TRP A 58 14.942 1.515 -12.808 1.00 75.22 H new ATOM 0 HA TRP A 58 17.400 0.137 -13.542 1.00 44.03 H new ATOM 0 HB2 TRP A 58 14.975 -1.081 -12.212 1.00 34.20 H new ATOM 0 HB3 TRP A 58 16.658 -1.542 -12.052 1.00 34.20 H new ATOM 0 HD1 TRP A 58 14.346 1.434 -11.043 1.00 1.43 H new ATOM 0 HE1 TRP A 58 15.221 2.458 -8.834 1.00 41.44 H new ATOM 0 HE3 TRP A 58 18.553 -1.418 -10.509 1.00 53.34 H new ATOM 0 HZ2 TRP A 58 17.422 2.068 -7.127 1.00 73.43 H new ATOM 0 HZ3 TRP A 58 20.001 -1.033 -8.555 1.00 41.35 H new ATOM 0 HH2 TRP A 58 19.438 0.686 -6.885 1.00 44.01 H new ATOM 903 N ILE A 59 16.581 -0.807 -15.688 1.00 31.32 N ATOM 904 CA ILE A 59 16.178 -1.516 -16.896 1.00 62.40 C ATOM 905 C ILE A 59 16.856 -2.880 -16.985 1.00 51.51 C ATOM 906 O ILE A 59 18.013 -3.036 -16.595 1.00 62.23 O ATOM 907 CB ILE A 59 16.512 -0.706 -18.162 1.00 44.23 C ATOM 908 CG1 ILE A 59 16.147 0.766 -17.963 1.00 54.50 C ATOM 909 CG2 ILE A 59 15.782 -1.280 -19.367 1.00 21.31 C ATOM 910 CD1 ILE A 59 16.857 1.700 -18.918 1.00 5.14 C ATOM 0 H ILE A 59 17.519 -0.408 -15.726 1.00 31.32 H new ATOM 0 HA ILE A 59 15.098 -1.653 -16.836 1.00 62.40 H new ATOM 0 HB ILE A 59 17.584 -0.774 -18.346 1.00 44.23 H new ATOM 0 HG12 ILE A 59 15.070 0.885 -18.085 1.00 54.50 H new ATOM 0 HG13 ILE A 59 16.386 1.056 -16.940 1.00 54.50 H new ATOM 0 HG21 ILE A 59 16.029 -0.696 -20.254 1.00 21.31 H new ATOM 0 HG22 ILE A 59 16.087 -2.316 -19.518 1.00 21.31 H new ATOM 0 HG23 ILE A 59 14.707 -1.240 -19.194 1.00 21.31 H new ATOM 0 HD11 ILE A 59 16.550 2.727 -18.719 1.00 5.14 H new ATOM 0 HD12 ILE A 59 17.935 1.611 -18.781 1.00 5.14 H new ATOM 0 HD13 ILE A 59 16.599 1.437 -19.944 1.00 5.14 H new ATOM 922 N PHE A 60 16.128 -3.863 -17.502 1.00 73.53 N ATOM 923 CA PHE A 60 16.658 -5.214 -17.644 1.00 24.30 C ATOM 924 C PHE A 60 16.382 -5.764 -19.040 1.00 54.23 C ATOM 925 O PHE A 60 15.368 -5.437 -19.658 1.00 41.30 O ATOM 926 CB PHE A 60 16.047 -6.139 -16.589 1.00 55.33 C ATOM 927 CG PHE A 60 16.327 -7.594 -16.833 1.00 33.13 C ATOM 928 CD1 PHE A 60 17.617 -8.033 -17.079 1.00 44.05 C ATOM 929 CD2 PHE A 60 15.299 -8.523 -16.815 1.00 71.32 C ATOM 930 CE1 PHE A 60 17.879 -9.372 -17.303 1.00 52.35 C ATOM 931 CE2 PHE A 60 15.554 -9.863 -17.038 1.00 62.20 C ATOM 932 CZ PHE A 60 16.845 -10.288 -17.284 1.00 4.33 C ATOM 0 H PHE A 60 15.169 -3.750 -17.830 1.00 73.53 H new ATOM 0 HA PHE A 60 17.737 -5.170 -17.497 1.00 24.30 H new ATOM 0 HB2 PHE A 60 16.433 -5.863 -15.608 1.00 55.33 H new ATOM 0 HB3 PHE A 60 14.968 -5.984 -16.563 1.00 55.33 H new ATOM 0 HD1 PHE A 60 18.429 -7.321 -17.096 1.00 44.05 H new ATOM 0 HD2 PHE A 60 14.287 -8.196 -16.625 1.00 71.32 H new ATOM 0 HE1 PHE A 60 18.890 -9.701 -17.492 1.00 52.35 H new ATOM 0 HE2 PHE A 60 14.744 -10.577 -17.020 1.00 62.20 H new ATOM 0 HZ PHE A 60 17.046 -11.334 -17.461 1.00 4.33 H new ATOM 942 N ARG A 61 17.290 -6.600 -19.531 1.00 62.24 N ATOM 943 CA ARG A 61 17.146 -7.194 -20.855 1.00 33.00 C ATOM 944 C ARG A 61 17.604 -8.649 -20.851 1.00 23.40 C ATOM 945 O ARG A 61 18.714 -8.960 -20.418 1.00 43.41 O ATOM 946 CB ARG A 61 17.949 -6.398 -21.885 1.00 50.20 C ATOM 947 CG ARG A 61 17.625 -4.913 -21.894 1.00 42.21 C ATOM 948 CD ARG A 61 18.606 -4.124 -21.041 1.00 41.42 C ATOM 949 NE ARG A 61 19.295 -3.092 -21.812 1.00 51.10 N ATOM 950 CZ ARG A 61 20.348 -3.332 -22.586 1.00 34.44 C ATOM 951 NH1 ARG A 61 20.830 -4.563 -22.691 1.00 74.01 N ATOM 952 NH2 ARG A 61 20.920 -2.341 -23.256 1.00 40.22 N ATOM 0 H ARG A 61 18.134 -6.882 -19.032 1.00 62.24 H new ATOM 0 HA ARG A 61 16.091 -7.164 -21.126 1.00 33.00 H new ATOM 0 HB2 ARG A 61 19.012 -6.528 -21.684 1.00 50.20 H new ATOM 0 HB3 ARG A 61 17.760 -6.809 -22.877 1.00 50.20 H new ATOM 0 HG2 ARG A 61 17.650 -4.540 -22.918 1.00 42.21 H new ATOM 0 HG3 ARG A 61 16.612 -4.758 -21.523 1.00 42.21 H new ATOM 0 HD2 ARG A 61 18.073 -3.661 -20.210 1.00 41.42 H new ATOM 0 HD3 ARG A 61 19.340 -4.805 -20.609 1.00 41.42 H new ATOM 0 HE ARG A 61 18.949 -2.134 -21.753 1.00 51.10 H new ATOM 0 HH11 ARG A 61 20.392 -5.328 -22.177 1.00 74.01 H new ATOM 0 HH12 ARG A 61 21.638 -4.745 -23.286 1.00 74.01 H new ATOM 0 HH21 ARG A 61 20.552 -1.393 -23.178 1.00 40.22 H new ATOM 0 HH22 ARG A 61 21.728 -2.527 -23.850 1.00 40.22 H new ATOM 966 N ASP A 62 16.743 -9.537 -21.335 1.00 33.00 N ATOM 967 CA ASP A 62 17.059 -10.960 -21.388 1.00 1.41 C ATOM 968 C ASP A 62 17.395 -11.389 -22.813 1.00 34.13 C ATOM 969 O ASP A 62 17.385 -10.574 -23.736 1.00 23.24 O ATOM 970 CB ASP A 62 15.886 -11.785 -20.856 1.00 4.21 C ATOM 971 CG ASP A 62 16.340 -12.955 -20.006 1.00 65.42 C ATOM 972 OD1 ASP A 62 17.486 -12.919 -19.509 1.00 14.14 O ATOM 973 OD2 ASP A 62 15.551 -13.908 -19.838 1.00 15.50 O ATOM 0 H ASP A 62 15.820 -9.297 -21.697 1.00 33.00 H new ATOM 0 HA ASP A 62 17.932 -11.137 -20.759 1.00 1.41 H new ATOM 0 HB2 ASP A 62 15.232 -11.143 -20.266 1.00 4.21 H new ATOM 0 HB3 ASP A 62 15.296 -12.156 -21.694 1.00 4.21 H new ATOM 978 N ARG A 63 17.691 -12.673 -22.984 1.00 24.11 N ATOM 979 CA ARG A 63 18.032 -13.210 -24.296 1.00 22.23 C ATOM 980 C ARG A 63 17.593 -14.667 -24.418 1.00 4.43 C ATOM 981 O ARG A 63 18.192 -15.446 -25.158 1.00 4.52 O ATOM 982 CB ARG A 63 19.538 -13.098 -24.541 1.00 0.10 C ATOM 983 CG ARG A 63 19.949 -11.803 -25.223 1.00 22.04 C ATOM 984 CD ARG A 63 21.455 -11.734 -25.426 1.00 75.44 C ATOM 985 NE ARG A 63 22.174 -11.629 -24.160 1.00 21.31 N ATOM 986 CZ ARG A 63 23.465 -11.909 -24.023 1.00 24.31 C ATOM 987 NH1 ARG A 63 24.175 -12.309 -25.069 1.00 41.21 N ATOM 988 NH2 ARG A 63 24.049 -11.789 -22.837 1.00 64.44 N ATOM 0 H ARG A 63 17.702 -13.361 -22.231 1.00 24.11 H new ATOM 0 HA ARG A 63 17.504 -12.625 -25.049 1.00 22.23 H new ATOM 0 HB2 ARG A 63 20.060 -13.178 -23.587 1.00 0.10 H new ATOM 0 HB3 ARG A 63 19.862 -13.940 -25.153 1.00 0.10 H new ATOM 0 HG2 ARG A 63 19.447 -11.723 -26.187 1.00 22.04 H new ATOM 0 HG3 ARG A 63 19.622 -10.954 -24.622 1.00 22.04 H new ATOM 0 HD2 ARG A 63 21.790 -12.623 -25.960 1.00 75.44 H new ATOM 0 HD3 ARG A 63 21.697 -10.876 -26.053 1.00 75.44 H new ATOM 0 HE ARG A 63 21.657 -11.324 -23.336 1.00 21.31 H new ATOM 0 HH11 ARG A 63 23.730 -12.402 -25.982 1.00 41.21 H new ATOM 0 HH12 ARG A 63 25.166 -12.523 -24.961 1.00 41.21 H new ATOM 0 HH21 ARG A 63 23.506 -11.482 -22.030 1.00 64.44 H new ATOM 0 HH22 ARG A 63 25.041 -12.004 -22.733 1.00 64.44 H new ATOM 1002 N ASN A 64 16.544 -15.026 -23.685 1.00 63.44 N ATOM 1003 CA ASN A 64 16.026 -16.389 -23.711 1.00 31.44 C ATOM 1004 C ASN A 64 14.507 -16.396 -23.571 1.00 33.24 C ATOM 1005 O ASN A 64 13.901 -17.438 -23.322 1.00 31.03 O ATOM 1006 CB ASN A 64 16.656 -17.218 -22.589 1.00 44.24 C ATOM 1007 CG ASN A 64 16.310 -16.685 -21.212 1.00 63.23 C ATOM 1008 OD1 ASN A 64 17.234 -15.940 -20.617 1.00 61.12 O flip ATOM 1009 ND2 ASN A 64 15.225 -16.941 -20.690 1.00 41.42 N flip ATOM 0 H ASN A 64 16.037 -14.393 -23.067 1.00 63.44 H new ATOM 0 HA ASN A 64 16.287 -16.832 -24.672 1.00 31.44 H new ATOM 0 HB2 ASN A 64 16.319 -18.251 -22.671 1.00 44.24 H new ATOM 0 HB3 ASN A 64 17.739 -17.226 -22.711 1.00 44.24 H new ATOM 0 HD21 ASN A 64 14.545 -17.518 -21.184 1.00 41.42 H new ATOM 0 HD22 ASN A 64 15.006 -16.576 -19.763 1.00 41.42 H new ATOM 1016 N ALA A 65 13.898 -15.226 -23.733 1.00 73.20 N ATOM 1017 CA ALA A 65 12.450 -15.098 -23.628 1.00 14.44 C ATOM 1018 C ALA A 65 11.811 -14.937 -25.003 1.00 61.20 C ATOM 1019 O ALA A 65 11.812 -13.848 -25.575 1.00 11.42 O ATOM 1020 CB ALA A 65 12.088 -13.920 -22.735 1.00 40.51 C ATOM 0 H ALA A 65 14.385 -14.353 -23.937 1.00 73.20 H new ATOM 0 HA ALA A 65 12.061 -16.013 -23.181 1.00 14.44 H new ATOM 0 HB1 ALA A 65 11.003 -13.836 -22.665 1.00 40.51 H new ATOM 0 HB2 ALA A 65 12.504 -14.076 -21.740 1.00 40.51 H new ATOM 0 HB3 ALA A 65 12.496 -13.003 -23.159 1.00 40.51 H new ATOM 1026 N ALA A 66 11.267 -16.030 -25.529 1.00 5.00 N ATOM 1027 CA ALA A 66 10.624 -16.010 -26.837 1.00 5.31 C ATOM 1028 C ALA A 66 9.118 -15.816 -26.705 1.00 34.41 C ATOM 1029 O ALA A 66 8.358 -16.785 -26.664 1.00 62.45 O ATOM 1030 CB ALA A 66 10.930 -17.293 -27.595 1.00 34.10 C ATOM 0 H ALA A 66 11.259 -16.940 -25.069 1.00 5.00 H new ATOM 0 HA ALA A 66 11.024 -15.166 -27.399 1.00 5.31 H new ATOM 0 HB1 ALA A 66 10.444 -17.264 -28.570 1.00 34.10 H new ATOM 0 HB2 ALA A 66 12.007 -17.388 -27.730 1.00 34.10 H new ATOM 0 HB3 ALA A 66 10.559 -18.147 -27.029 1.00 34.10 H new ATOM 1036 N LEU A 67 8.691 -14.560 -26.637 1.00 73.34 N ATOM 1037 CA LEU A 67 7.273 -14.240 -26.509 1.00 44.22 C ATOM 1038 C LEU A 67 6.830 -13.282 -27.610 1.00 50.40 C ATOM 1039 O LEU A 67 7.653 -12.757 -28.360 1.00 41.14 O ATOM 1040 CB LEU A 67 6.992 -13.624 -25.137 1.00 74.15 C ATOM 1041 CG LEU A 67 7.439 -12.174 -24.948 1.00 21.32 C ATOM 1042 CD1 LEU A 67 6.434 -11.413 -24.097 1.00 43.55 C ATOM 1043 CD2 LEU A 67 8.823 -12.121 -24.317 1.00 71.51 C ATOM 0 H LEU A 67 9.306 -13.747 -26.668 1.00 73.34 H new ATOM 0 HA LEU A 67 6.706 -15.165 -26.608 1.00 44.22 H new ATOM 0 HB2 LEU A 67 5.920 -13.680 -24.948 1.00 74.15 H new ATOM 0 HB3 LEU A 67 7.481 -14.236 -24.379 1.00 74.15 H new ATOM 0 HG LEU A 67 7.489 -11.698 -25.927 1.00 21.32 H new ATOM 0 HD11 LEU A 67 6.768 -10.383 -23.973 1.00 43.55 H new ATOM 0 HD12 LEU A 67 5.461 -11.422 -24.588 1.00 43.55 H new ATOM 0 HD13 LEU A 67 6.352 -11.888 -23.119 1.00 43.55 H new ATOM 0 HD21 LEU A 67 9.125 -11.082 -24.190 1.00 71.51 H new ATOM 0 HD22 LEU A 67 8.799 -12.613 -23.345 1.00 71.51 H new ATOM 0 HD23 LEU A 67 9.538 -12.630 -24.964 1.00 71.51 H new ATOM 1055 N LYS A 68 5.524 -13.056 -27.700 1.00 13.31 N ATOM 1056 CA LYS A 68 4.969 -12.158 -28.706 1.00 44.21 C ATOM 1057 C LYS A 68 3.654 -11.552 -28.229 1.00 14.42 C ATOM 1058 O LYS A 68 2.837 -12.231 -27.606 1.00 54.42 O ATOM 1059 CB LYS A 68 4.750 -12.907 -30.022 1.00 42.05 C ATOM 1060 CG LYS A 68 3.984 -14.209 -29.861 1.00 41.43 C ATOM 1061 CD LYS A 68 4.921 -15.382 -29.632 1.00 63.53 C ATOM 1062 CE LYS A 68 4.455 -16.622 -30.380 1.00 34.34 C ATOM 1063 NZ LYS A 68 5.416 -17.751 -30.237 1.00 41.53 N ATOM 0 H LYS A 68 4.829 -13.483 -27.088 1.00 13.31 H new ATOM 0 HA LYS A 68 5.682 -11.350 -28.869 1.00 44.21 H new ATOM 0 HB2 LYS A 68 4.209 -12.260 -30.713 1.00 42.05 H new ATOM 0 HB3 LYS A 68 5.718 -13.119 -30.475 1.00 42.05 H new ATOM 0 HG2 LYS A 68 3.293 -14.125 -29.022 1.00 41.43 H new ATOM 0 HG3 LYS A 68 3.383 -14.391 -30.752 1.00 41.43 H new ATOM 0 HD2 LYS A 68 5.926 -15.115 -29.958 1.00 63.53 H new ATOM 0 HD3 LYS A 68 4.979 -15.600 -28.566 1.00 63.53 H new ATOM 0 HE2 LYS A 68 3.478 -16.927 -30.004 1.00 34.34 H new ATOM 0 HE3 LYS A 68 4.330 -16.383 -31.436 1.00 34.34 H new ATOM 0 HZ1 LYS A 68 5.062 -18.577 -30.761 1.00 41.53 H new ATOM 0 HZ2 LYS A 68 6.342 -17.469 -30.619 1.00 41.53 H new ATOM 0 HZ3 LYS A 68 5.516 -17.996 -29.231 1.00 41.53 H new ATOM 1077 N ILE A 69 3.455 -10.272 -28.526 1.00 0.23 N ATOM 1078 CA ILE A 69 2.237 -9.576 -28.129 1.00 22.12 C ATOM 1079 C ILE A 69 1.063 -10.543 -28.020 1.00 13.42 C ATOM 1080 O ILE A 69 0.666 -11.168 -29.002 1.00 42.55 O ATOM 1081 CB ILE A 69 1.877 -8.458 -29.125 1.00 60.53 C ATOM 1082 CG1 ILE A 69 2.964 -7.381 -29.132 1.00 34.33 C ATOM 1083 CG2 ILE A 69 0.526 -7.853 -28.777 1.00 35.24 C ATOM 1084 CD1 ILE A 69 2.933 -6.485 -27.914 1.00 22.15 C ATOM 0 H ILE A 69 4.122 -9.696 -29.040 1.00 0.23 H new ATOM 0 HA ILE A 69 2.431 -9.132 -27.153 1.00 22.12 H new ATOM 0 HB ILE A 69 1.813 -8.889 -30.124 1.00 60.53 H new ATOM 0 HG12 ILE A 69 3.940 -7.862 -29.195 1.00 34.33 H new ATOM 0 HG13 ILE A 69 2.852 -6.769 -30.027 1.00 34.33 H new ATOM 0 HG21 ILE A 69 0.286 -7.064 -29.490 1.00 35.24 H new ATOM 0 HG22 ILE A 69 -0.241 -8.626 -28.820 1.00 35.24 H new ATOM 0 HG23 ILE A 69 0.563 -7.434 -27.771 1.00 35.24 H new ATOM 0 HD11 ILE A 69 3.731 -5.746 -27.986 1.00 22.15 H new ATOM 0 HD12 ILE A 69 1.970 -5.976 -27.861 1.00 22.15 H new ATOM 0 HD13 ILE A 69 3.076 -7.086 -27.016 1.00 22.15 H new ATOM 1096 N GLY A 70 0.509 -10.659 -26.817 1.00 15.13 N ATOM 1097 CA GLY A 70 -0.617 -11.550 -26.601 1.00 43.33 C ATOM 1098 C GLY A 70 -0.387 -12.505 -25.447 1.00 71.10 C ATOM 1099 O GLY A 70 -1.338 -13.034 -24.871 1.00 53.15 O ATOM 0 H GLY A 70 0.819 -10.152 -25.988 1.00 15.13 H new ATOM 0 HA2 GLY A 70 -1.512 -10.959 -26.407 1.00 43.33 H new ATOM 0 HA3 GLY A 70 -0.804 -12.122 -27.510 1.00 43.33 H new ATOM 1103 N ASP A 71 0.878 -12.728 -25.109 1.00 31.32 N ATOM 1104 CA ASP A 71 1.230 -13.627 -24.016 1.00 31.42 C ATOM 1105 C ASP A 71 0.904 -12.996 -22.666 1.00 41.41 C ATOM 1106 O ASP A 71 0.199 -11.989 -22.593 1.00 45.44 O ATOM 1107 CB ASP A 71 2.715 -13.986 -24.080 1.00 44.40 C ATOM 1108 CG ASP A 71 2.947 -15.419 -24.515 1.00 20.41 C ATOM 1109 OD1 ASP A 71 1.992 -16.049 -25.015 1.00 13.11 O ATOM 1110 OD2 ASP A 71 4.083 -15.912 -24.354 1.00 65.24 O ATOM 0 H ASP A 71 1.677 -12.299 -25.576 1.00 31.32 H new ATOM 0 HA ASP A 71 0.640 -14.537 -24.123 1.00 31.42 H new ATOM 0 HB2 ASP A 71 3.219 -13.313 -24.774 1.00 44.40 H new ATOM 0 HB3 ASP A 71 3.166 -13.830 -23.100 1.00 44.40 H new ATOM 1115 N LYS A 72 1.421 -13.594 -21.598 1.00 73.33 N ATOM 1116 CA LYS A 72 1.186 -13.091 -20.250 1.00 72.30 C ATOM 1117 C LYS A 72 2.393 -13.351 -19.355 1.00 2.54 C ATOM 1118 O LYS A 72 3.333 -14.041 -19.749 1.00 62.13 O ATOM 1119 CB LYS A 72 -0.059 -13.747 -19.648 1.00 60.44 C ATOM 1120 CG LYS A 72 -1.352 -13.029 -19.993 1.00 10.12 C ATOM 1121 CD LYS A 72 -2.369 -13.975 -20.608 1.00 33.43 C ATOM 1122 CE LYS A 72 -3.163 -13.298 -21.715 1.00 21.34 C ATOM 1123 NZ LYS A 72 -4.156 -14.222 -22.329 1.00 54.42 N ATOM 0 H LYS A 72 2.006 -14.428 -21.640 1.00 73.33 H new ATOM 0 HA LYS A 72 1.027 -12.014 -20.313 1.00 72.30 H new ATOM 0 HB2 LYS A 72 -0.121 -14.778 -19.997 1.00 60.44 H new ATOM 0 HB3 LYS A 72 0.048 -13.784 -18.564 1.00 60.44 H new ATOM 0 HG2 LYS A 72 -1.770 -12.579 -19.093 1.00 10.12 H new ATOM 0 HG3 LYS A 72 -1.143 -12.216 -20.688 1.00 10.12 H new ATOM 0 HD2 LYS A 72 -1.857 -14.850 -21.009 1.00 33.43 H new ATOM 0 HD3 LYS A 72 -3.051 -14.330 -19.835 1.00 33.43 H new ATOM 0 HE2 LYS A 72 -3.679 -12.427 -21.311 1.00 21.34 H new ATOM 0 HE3 LYS A 72 -2.480 -12.936 -22.483 1.00 21.34 H new ATOM 0 HZ1 LYS A 72 -4.677 -13.724 -23.079 1.00 54.42 H new ATOM 0 HZ2 LYS A 72 -3.662 -15.041 -22.737 1.00 54.42 H new ATOM 0 HZ3 LYS A 72 -4.824 -14.547 -21.601 1.00 54.42 H new ATOM 1137 N ILE A 73 2.360 -12.794 -18.148 1.00 72.24 N ATOM 1138 CA ILE A 73 3.450 -12.968 -17.197 1.00 64.11 C ATOM 1139 C ILE A 73 2.925 -13.048 -15.768 1.00 24.43 C ATOM 1140 O ILE A 73 1.953 -12.381 -15.414 1.00 4.52 O ATOM 1141 CB ILE A 73 4.470 -11.818 -17.294 1.00 23.24 C ATOM 1142 CG1 ILE A 73 5.169 -11.840 -18.655 1.00 21.14 C ATOM 1143 CG2 ILE A 73 5.489 -11.918 -16.168 1.00 14.54 C ATOM 1144 CD1 ILE A 73 6.058 -10.640 -18.897 1.00 75.11 C ATOM 0 H ILE A 73 1.590 -12.219 -17.807 1.00 72.24 H new ATOM 0 HA ILE A 73 3.945 -13.905 -17.452 1.00 64.11 H new ATOM 0 HB ILE A 73 3.939 -10.871 -17.195 1.00 23.24 H new ATOM 0 HG12 ILE A 73 5.768 -12.747 -18.732 1.00 21.14 H new ATOM 0 HG13 ILE A 73 4.415 -11.888 -19.441 1.00 21.14 H new ATOM 0 HG21 ILE A 73 6.203 -11.099 -16.250 1.00 14.54 H new ATOM 0 HG22 ILE A 73 4.977 -11.859 -15.208 1.00 14.54 H new ATOM 0 HG23 ILE A 73 6.018 -12.869 -16.239 1.00 14.54 H new ATOM 0 HD11 ILE A 73 6.521 -10.722 -19.880 1.00 75.11 H new ATOM 0 HD12 ILE A 73 5.460 -9.730 -18.852 1.00 75.11 H new ATOM 0 HD13 ILE A 73 6.834 -10.602 -18.133 1.00 75.11 H new ATOM 1156 N TYR A 74 3.576 -13.868 -14.950 1.00 33.42 N ATOM 1157 CA TYR A 74 3.174 -14.037 -13.558 1.00 44.22 C ATOM 1158 C TYR A 74 4.383 -14.332 -12.675 1.00 13.24 C ATOM 1159 O TYR A 74 4.870 -15.461 -12.626 1.00 30.40 O ATOM 1160 CB TYR A 74 2.150 -15.166 -13.434 1.00 11.21 C ATOM 1161 CG TYR A 74 1.318 -15.369 -14.680 1.00 43.33 C ATOM 1162 CD1 TYR A 74 0.165 -14.625 -14.898 1.00 50.11 C ATOM 1163 CD2 TYR A 74 1.685 -16.305 -15.639 1.00 40.44 C ATOM 1164 CE1 TYR A 74 -0.598 -14.807 -16.035 1.00 74.30 C ATOM 1165 CE2 TYR A 74 0.929 -16.493 -16.780 1.00 14.41 C ATOM 1166 CZ TYR A 74 -0.212 -15.742 -16.973 1.00 53.21 C ATOM 1167 OH TYR A 74 -0.969 -15.927 -18.107 1.00 73.12 O ATOM 0 H TYR A 74 4.384 -14.426 -15.226 1.00 33.42 H new ATOM 0 HA TYR A 74 2.719 -13.105 -13.222 1.00 44.22 H new ATOM 0 HB2 TYR A 74 2.672 -16.094 -13.201 1.00 11.21 H new ATOM 0 HB3 TYR A 74 1.487 -14.953 -12.595 1.00 11.21 H new ATOM 0 HD1 TYR A 74 -0.140 -13.892 -14.166 1.00 50.11 H new ATOM 0 HD2 TYR A 74 2.577 -16.896 -15.490 1.00 40.44 H new ATOM 0 HE1 TYR A 74 -1.492 -14.221 -16.189 1.00 74.30 H new ATOM 0 HE2 TYR A 74 1.229 -17.224 -17.516 1.00 14.41 H new ATOM 0 HH TYR A 74 -0.559 -16.621 -18.665 1.00 73.12 H new ATOM 1177 N PHE A 75 4.861 -13.307 -11.976 1.00 61.25 N ATOM 1178 CA PHE A 75 6.013 -13.455 -11.094 1.00 54.40 C ATOM 1179 C PHE A 75 6.052 -12.334 -10.060 1.00 2.53 C ATOM 1180 O PHE A 75 5.028 -11.727 -9.747 1.00 33.24 O ATOM 1181 CB PHE A 75 7.308 -13.459 -11.908 1.00 23.02 C ATOM 1182 CG PHE A 75 7.714 -12.098 -12.396 1.00 51.14 C ATOM 1183 CD1 PHE A 75 6.836 -11.323 -13.136 1.00 55.24 C ATOM 1184 CD2 PHE A 75 8.973 -11.593 -12.115 1.00 63.23 C ATOM 1185 CE1 PHE A 75 7.207 -10.070 -13.588 1.00 33.41 C ATOM 1186 CE2 PHE A 75 9.350 -10.341 -12.564 1.00 31.13 C ATOM 1187 CZ PHE A 75 8.465 -9.578 -13.300 1.00 72.41 C ATOM 0 H PHE A 75 4.469 -12.366 -12.003 1.00 61.25 H new ATOM 0 HA PHE A 75 5.919 -14.406 -10.570 1.00 54.40 H new ATOM 0 HB2 PHE A 75 8.111 -13.871 -11.297 1.00 23.02 H new ATOM 0 HB3 PHE A 75 7.187 -14.122 -12.765 1.00 23.02 H new ATOM 0 HD1 PHE A 75 5.850 -11.702 -13.362 1.00 55.24 H new ATOM 0 HD2 PHE A 75 9.668 -12.185 -11.538 1.00 63.23 H new ATOM 0 HE1 PHE A 75 6.514 -9.477 -14.166 1.00 33.41 H new ATOM 0 HE2 PHE A 75 10.335 -9.960 -12.339 1.00 31.13 H new ATOM 0 HZ PHE A 75 8.756 -8.598 -13.650 1.00 72.41 H new ATOM 1197 N TRP A 76 7.241 -12.065 -9.533 1.00 44.32 N ATOM 1198 CA TRP A 76 7.415 -11.017 -8.533 1.00 62.14 C ATOM 1199 C TRP A 76 8.828 -10.446 -8.583 1.00 51.25 C ATOM 1200 O TRP A 76 9.759 -11.103 -9.051 1.00 34.11 O ATOM 1201 CB TRP A 76 7.122 -11.564 -7.135 1.00 63.13 C ATOM 1202 CG TRP A 76 7.124 -13.061 -7.071 1.00 75.51 C ATOM 1203 CD1 TRP A 76 8.199 -13.888 -7.229 1.00 44.34 C ATOM 1204 CD2 TRP A 76 5.995 -13.910 -6.833 1.00 41.13 C ATOM 1205 NE1 TRP A 76 7.808 -15.199 -7.104 1.00 54.23 N ATOM 1206 CE2 TRP A 76 6.460 -15.239 -6.860 1.00 64.32 C ATOM 1207 CE3 TRP A 76 4.638 -13.676 -6.598 1.00 75.32 C ATOM 1208 CZ2 TRP A 76 5.615 -16.328 -6.662 1.00 50.41 C ATOM 1209 CZ3 TRP A 76 3.800 -14.758 -6.402 1.00 53.41 C ATOM 1210 CH2 TRP A 76 4.291 -16.070 -6.434 1.00 54.32 C ATOM 0 H TRP A 76 8.099 -12.558 -9.781 1.00 44.32 H new ATOM 0 HA TRP A 76 6.711 -10.215 -8.757 1.00 62.14 H new ATOM 0 HB2 TRP A 76 7.865 -11.177 -6.438 1.00 63.13 H new ATOM 0 HB3 TRP A 76 6.151 -11.195 -6.804 1.00 63.13 H new ATOM 0 HD1 TRP A 76 9.209 -13.559 -7.424 1.00 44.34 H new ATOM 0 HE1 TRP A 76 8.421 -16.011 -7.180 1.00 54.23 H new ATOM 0 HE3 TRP A 76 4.251 -12.668 -6.570 1.00 75.32 H new ATOM 0 HZ2 TRP A 76 5.991 -17.340 -6.688 1.00 50.41 H new ATOM 0 HZ3 TRP A 76 2.749 -14.589 -6.221 1.00 53.41 H new ATOM 0 HH2 TRP A 76 3.611 -16.894 -6.276 1.00 54.32 H new ATOM 1221 N THR A 77 8.983 -9.218 -8.099 1.00 12.52 N ATOM 1222 CA THR A 77 10.282 -8.558 -8.089 1.00 42.34 C ATOM 1223 C THR A 77 10.722 -8.230 -6.667 1.00 64.51 C ATOM 1224 O THR A 77 9.977 -8.444 -5.711 1.00 54.21 O ATOM 1225 CB THR A 77 10.259 -7.260 -8.919 1.00 64.10 C ATOM 1226 OG1 THR A 77 9.019 -6.573 -8.720 1.00 74.45 O ATOM 1227 CG2 THR A 77 10.448 -7.560 -10.398 1.00 74.24 C ATOM 0 H THR A 77 8.224 -8.660 -7.708 1.00 12.52 H new ATOM 0 HA THR A 77 10.993 -9.254 -8.535 1.00 42.34 H new ATOM 0 HB THR A 77 11.081 -6.627 -8.586 1.00 64.10 H new ATOM 0 HG1 THR A 77 9.013 -5.748 -9.250 1.00 74.45 H new ATOM 0 HG21 THR A 77 10.428 -6.628 -10.964 1.00 74.24 H new ATOM 0 HG22 THR A 77 11.407 -8.056 -10.549 1.00 74.24 H new ATOM 0 HG23 THR A 77 9.645 -8.211 -10.743 1.00 74.24 H new ATOM 1235 N PHE A 78 11.938 -7.711 -6.534 1.00 1.52 N ATOM 1236 CA PHE A 78 12.478 -7.354 -5.227 1.00 51.30 C ATOM 1237 C PHE A 78 13.394 -6.138 -5.330 1.00 51.35 C ATOM 1238 O PHE A 78 14.287 -6.089 -6.177 1.00 15.11 O ATOM 1239 CB PHE A 78 13.245 -8.535 -4.629 1.00 0.33 C ATOM 1240 CG PHE A 78 12.855 -8.847 -3.212 1.00 70.24 C ATOM 1241 CD1 PHE A 78 13.503 -8.236 -2.151 1.00 32.43 C ATOM 1242 CD2 PHE A 78 11.840 -9.751 -2.943 1.00 23.24 C ATOM 1243 CE1 PHE A 78 13.146 -8.523 -0.846 1.00 43.15 C ATOM 1244 CE2 PHE A 78 11.479 -10.041 -1.640 1.00 61.43 C ATOM 1245 CZ PHE A 78 12.132 -9.425 -0.591 1.00 24.51 C ATOM 0 H PHE A 78 12.568 -7.528 -7.315 1.00 1.52 H new ATOM 0 HA PHE A 78 11.643 -7.103 -4.573 1.00 51.30 H new ATOM 0 HB2 PHE A 78 13.077 -9.417 -5.246 1.00 0.33 H new ATOM 0 HB3 PHE A 78 14.313 -8.320 -4.665 1.00 0.33 H new ATOM 0 HD1 PHE A 78 14.295 -7.528 -2.345 1.00 32.43 H new ATOM 0 HD2 PHE A 78 11.325 -10.234 -3.760 1.00 23.24 H new ATOM 0 HE1 PHE A 78 13.660 -8.042 -0.027 1.00 43.15 H new ATOM 0 HE2 PHE A 78 10.687 -10.749 -1.443 1.00 61.43 H new ATOM 0 HZ PHE A 78 11.850 -9.648 0.427 1.00 24.51 H new ATOM 1255 N VAL A 79 13.165 -5.157 -4.463 1.00 44.30 N ATOM 1256 CA VAL A 79 13.969 -3.940 -4.455 1.00 64.43 C ATOM 1257 C VAL A 79 14.383 -3.564 -3.037 1.00 50.01 C ATOM 1258 O VAL A 79 14.055 -4.263 -2.078 1.00 32.01 O ATOM 1259 CB VAL A 79 13.207 -2.760 -5.086 1.00 43.05 C ATOM 1260 CG1 VAL A 79 13.220 -2.866 -6.604 1.00 4.22 C ATOM 1261 CG2 VAL A 79 11.781 -2.704 -4.560 1.00 22.50 C ATOM 0 H VAL A 79 12.429 -5.181 -3.757 1.00 44.30 H new ATOM 0 HA VAL A 79 14.860 -4.146 -5.048 1.00 64.43 H new ATOM 0 HB VAL A 79 13.710 -1.834 -4.806 1.00 43.05 H new ATOM 0 HG11 VAL A 79 12.677 -2.024 -7.032 1.00 4.22 H new ATOM 0 HG12 VAL A 79 14.250 -2.853 -6.961 1.00 4.22 H new ATOM 0 HG13 VAL A 79 12.743 -3.798 -6.908 1.00 4.22 H new ATOM 0 HG21 VAL A 79 11.257 -1.864 -5.017 1.00 22.50 H new ATOM 0 HG22 VAL A 79 11.265 -3.631 -4.808 1.00 22.50 H new ATOM 0 HG23 VAL A 79 11.797 -2.576 -3.478 1.00 22.50 H new ATOM 1271 N ILE A 80 15.105 -2.455 -2.912 1.00 35.33 N ATOM 1272 CA ILE A 80 15.562 -1.985 -1.610 1.00 74.10 C ATOM 1273 C ILE A 80 15.765 -0.474 -1.612 1.00 2.21 C ATOM 1274 O ILE A 80 16.809 0.023 -2.035 1.00 23.10 O ATOM 1275 CB ILE A 80 16.878 -2.669 -1.195 1.00 11.51 C ATOM 1276 CG1 ILE A 80 16.686 -4.184 -1.109 1.00 60.14 C ATOM 1277 CG2 ILE A 80 17.365 -2.115 0.136 1.00 44.14 C ATOM 1278 CD1 ILE A 80 17.968 -4.941 -0.841 1.00 32.22 C ATOM 0 H ILE A 80 15.386 -1.866 -3.696 1.00 35.33 H new ATOM 0 HA ILE A 80 14.786 -2.244 -0.890 1.00 74.10 H new ATOM 0 HB ILE A 80 17.634 -2.460 -1.952 1.00 11.51 H new ATOM 0 HG12 ILE A 80 15.970 -4.407 -0.318 1.00 60.14 H new ATOM 0 HG13 ILE A 80 16.251 -4.541 -2.043 1.00 60.14 H new ATOM 0 HG21 ILE A 80 18.296 -2.608 0.417 1.00 44.14 H new ATOM 0 HG22 ILE A 80 17.536 -1.043 0.043 1.00 44.14 H new ATOM 0 HG23 ILE A 80 16.612 -2.297 0.903 1.00 44.14 H new ATOM 0 HD11 ILE A 80 17.756 -6.009 -0.793 1.00 32.22 H new ATOM 0 HD12 ILE A 80 18.679 -4.748 -1.644 1.00 32.22 H new ATOM 0 HD13 ILE A 80 18.393 -4.612 0.107 1.00 32.22 H new ATOM 1290 N LYS A 81 14.761 0.253 -1.134 1.00 51.54 N ATOM 1291 CA LYS A 81 14.829 1.709 -1.077 1.00 62.22 C ATOM 1292 C LYS A 81 14.862 2.196 0.368 1.00 22.40 C ATOM 1293 O LYS A 81 14.100 1.721 1.210 1.00 13.33 O ATOM 1294 CB LYS A 81 13.633 2.325 -1.807 1.00 4.12 C ATOM 1295 CG LYS A 81 13.410 3.791 -1.479 1.00 2.14 C ATOM 1296 CD LYS A 81 12.197 4.347 -2.205 1.00 61.14 C ATOM 1297 CE LYS A 81 12.439 5.769 -2.687 1.00 11.44 C ATOM 1298 NZ LYS A 81 13.016 6.627 -1.614 1.00 52.05 N ATOM 0 H LYS A 81 13.890 -0.142 -0.780 1.00 51.54 H new ATOM 0 HA LYS A 81 15.749 2.024 -1.569 1.00 62.22 H new ATOM 0 HB2 LYS A 81 13.781 2.220 -2.882 1.00 4.12 H new ATOM 0 HB3 LYS A 81 12.734 1.764 -1.553 1.00 4.12 H new ATOM 0 HG2 LYS A 81 13.276 3.908 -0.404 1.00 2.14 H new ATOM 0 HG3 LYS A 81 14.295 4.365 -1.755 1.00 2.14 H new ATOM 0 HD2 LYS A 81 11.957 3.709 -3.056 1.00 61.14 H new ATOM 0 HD3 LYS A 81 11.334 4.329 -1.540 1.00 61.14 H new ATOM 0 HE2 LYS A 81 13.115 5.753 -3.542 1.00 11.44 H new ATOM 0 HE3 LYS A 81 11.499 6.201 -3.032 1.00 11.44 H new ATOM 0 HZ1 LYS A 81 12.769 7.621 -1.794 1.00 52.05 H new ATOM 0 HZ2 LYS A 81 12.632 6.336 -0.692 1.00 52.05 H new ATOM 0 HZ3 LYS A 81 14.051 6.524 -1.606 1.00 52.05 H new ATOM 1312 N ASP A 82 15.749 3.145 0.648 1.00 75.25 N ATOM 1313 CA ASP A 82 15.879 3.698 1.991 1.00 72.33 C ATOM 1314 C ASP A 82 16.013 2.585 3.026 1.00 44.14 C ATOM 1315 O ASP A 82 15.683 2.769 4.196 1.00 35.12 O ATOM 1316 CB ASP A 82 14.672 4.577 2.323 1.00 60.23 C ATOM 1317 CG ASP A 82 14.973 5.586 3.413 1.00 24.12 C ATOM 1318 OD1 ASP A 82 16.138 6.027 3.508 1.00 73.24 O ATOM 1319 OD2 ASP A 82 14.045 5.934 4.173 1.00 40.22 O ATOM 0 H ASP A 82 16.389 3.547 -0.037 1.00 75.25 H new ATOM 0 HA ASP A 82 16.782 4.308 2.020 1.00 72.33 H new ATOM 0 HB2 ASP A 82 14.351 5.103 1.424 1.00 60.23 H new ATOM 0 HB3 ASP A 82 13.841 3.945 2.636 1.00 60.23 H new ATOM 1324 N GLY A 83 16.501 1.429 2.585 1.00 52.23 N ATOM 1325 CA GLY A 83 16.669 0.303 3.485 1.00 2.50 C ATOM 1326 C GLY A 83 15.346 -0.260 3.963 1.00 54.21 C ATOM 1327 O GLY A 83 15.251 -0.789 5.071 1.00 3.02 O ATOM 0 H GLY A 83 16.783 1.253 1.621 1.00 52.23 H new ATOM 0 HA2 GLY A 83 17.232 -0.481 2.979 1.00 2.50 H new ATOM 0 HA3 GLY A 83 17.260 0.615 4.346 1.00 2.50 H new ATOM 1331 N LEU A 84 14.320 -0.145 3.127 1.00 75.40 N ATOM 1332 CA LEU A 84 12.993 -0.646 3.471 1.00 62.24 C ATOM 1333 C LEU A 84 12.803 -2.074 2.969 1.00 65.10 C ATOM 1334 O LEU A 84 12.690 -3.011 3.759 1.00 42.52 O ATOM 1335 CB LEU A 84 11.914 0.262 2.878 1.00 2.14 C ATOM 1336 CG LEU A 84 11.589 1.526 3.675 1.00 20.14 C ATOM 1337 CD1 LEU A 84 11.349 2.700 2.739 1.00 13.24 C ATOM 1338 CD2 LEU A 84 10.378 1.297 4.568 1.00 23.42 C ATOM 0 H LEU A 84 14.381 0.290 2.207 1.00 75.40 H new ATOM 0 HA LEU A 84 12.903 -0.647 4.557 1.00 62.24 H new ATOM 0 HB2 LEU A 84 12.227 0.558 1.877 1.00 2.14 H new ATOM 0 HB3 LEU A 84 10.999 -0.319 2.767 1.00 2.14 H new ATOM 0 HG LEU A 84 12.443 1.762 4.309 1.00 20.14 H new ATOM 0 HD11 LEU A 84 11.119 3.591 3.324 1.00 13.24 H new ATOM 0 HD12 LEU A 84 12.244 2.879 2.143 1.00 13.24 H new ATOM 0 HD13 LEU A 84 10.512 2.474 2.079 1.00 13.24 H new ATOM 0 HD21 LEU A 84 10.161 2.207 5.128 1.00 23.42 H new ATOM 0 HD22 LEU A 84 9.517 1.035 3.953 1.00 23.42 H new ATOM 0 HD23 LEU A 84 10.587 0.484 5.264 1.00 23.42 H new ATOM 1350 N GLY A 85 12.772 -2.233 1.649 1.00 32.22 N ATOM 1351 CA GLY A 85 12.598 -3.550 1.065 1.00 60.13 C ATOM 1352 C GLY A 85 11.186 -3.780 0.563 1.00 43.01 C ATOM 1353 O GLY A 85 10.236 -3.791 1.346 1.00 52.45 O ATOM 0 H GLY A 85 12.864 -1.474 0.974 1.00 32.22 H new ATOM 0 HA2 GLY A 85 13.298 -3.673 0.239 1.00 60.13 H new ATOM 0 HA3 GLY A 85 12.844 -4.309 1.808 1.00 60.13 H new ATOM 1357 N TYR A 86 11.048 -3.963 -0.745 1.00 52.35 N ATOM 1358 CA TYR A 86 9.741 -4.189 -1.351 1.00 61.15 C ATOM 1359 C TYR A 86 9.751 -5.448 -2.213 1.00 41.14 C ATOM 1360 O TYR A 86 10.811 -5.987 -2.532 1.00 70.11 O ATOM 1361 CB TYR A 86 9.332 -2.982 -2.197 1.00 14.02 C ATOM 1362 CG TYR A 86 9.593 -1.654 -1.523 1.00 4.00 C ATOM 1363 CD1 TYR A 86 10.886 -1.262 -1.196 1.00 13.21 C ATOM 1364 CD2 TYR A 86 8.549 -0.792 -1.212 1.00 70.05 C ATOM 1365 CE1 TYR A 86 11.130 -0.050 -0.579 1.00 51.35 C ATOM 1366 CE2 TYR A 86 8.784 0.422 -0.598 1.00 11.44 C ATOM 1367 CZ TYR A 86 10.076 0.789 -0.283 1.00 12.01 C ATOM 1368 OH TYR A 86 10.314 1.997 0.331 1.00 52.40 O ATOM 0 H TYR A 86 11.825 -3.959 -1.406 1.00 52.35 H new ATOM 0 HA TYR A 86 9.015 -4.325 -0.549 1.00 61.15 H new ATOM 0 HB2 TYR A 86 9.872 -3.012 -3.143 1.00 14.02 H new ATOM 0 HB3 TYR A 86 8.271 -3.058 -2.434 1.00 14.02 H new ATOM 0 HD1 TYR A 86 11.714 -1.916 -1.428 1.00 13.21 H new ATOM 0 HD2 TYR A 86 7.536 -1.076 -1.455 1.00 70.05 H new ATOM 0 HE1 TYR A 86 12.140 0.239 -0.330 1.00 51.35 H new ATOM 0 HE2 TYR A 86 7.961 1.081 -0.365 1.00 11.44 H new ATOM 0 HH TYR A 86 9.476 2.501 0.397 1.00 52.40 H new ATOM 1378 N ARG A 87 8.563 -5.910 -2.588 1.00 34.22 N ATOM 1379 CA ARG A 87 8.433 -7.105 -3.412 1.00 71.53 C ATOM 1380 C ARG A 87 7.068 -7.151 -4.093 1.00 31.13 C ATOM 1381 O ARG A 87 6.044 -7.339 -3.437 1.00 74.10 O ATOM 1382 CB ARG A 87 8.633 -8.362 -2.562 1.00 42.53 C ATOM 1383 CG ARG A 87 8.124 -9.632 -3.224 1.00 2.05 C ATOM 1384 CD ARG A 87 6.982 -10.251 -2.434 1.00 74.52 C ATOM 1385 NE ARG A 87 7.240 -10.241 -0.997 1.00 25.21 N ATOM 1386 CZ ARG A 87 8.087 -11.071 -0.397 1.00 13.23 C ATOM 1387 NH1 ARG A 87 8.752 -11.972 -1.106 1.00 5.41 N ATOM 1388 NH2 ARG A 87 8.269 -11.000 0.916 1.00 53.22 N ATOM 0 H ARG A 87 7.676 -5.474 -2.334 1.00 34.22 H new ATOM 0 HA ARG A 87 9.203 -7.069 -4.182 1.00 71.53 H new ATOM 0 HB2 ARG A 87 9.695 -8.477 -2.343 1.00 42.53 H new ATOM 0 HB3 ARG A 87 8.123 -8.230 -1.608 1.00 42.53 H new ATOM 0 HG2 ARG A 87 7.788 -9.407 -4.236 1.00 2.05 H new ATOM 0 HG3 ARG A 87 8.939 -10.350 -3.311 1.00 2.05 H new ATOM 0 HD2 ARG A 87 6.061 -9.705 -2.640 1.00 74.52 H new ATOM 0 HD3 ARG A 87 6.826 -11.277 -2.767 1.00 74.52 H new ATOM 0 HE ARG A 87 6.743 -9.560 -0.422 1.00 25.21 H new ATOM 0 HH11 ARG A 87 8.614 -12.030 -2.115 1.00 5.41 H new ATOM 0 HH12 ARG A 87 9.401 -12.608 -0.643 1.00 5.41 H new ATOM 0 HH21 ARG A 87 7.759 -10.308 1.465 1.00 53.22 H new ATOM 0 HH22 ARG A 87 8.919 -11.637 1.376 1.00 53.22 H new ATOM 1402 N GLN A 88 7.063 -6.977 -5.410 1.00 61.44 N ATOM 1403 CA GLN A 88 5.824 -6.998 -6.179 1.00 10.44 C ATOM 1404 C GLN A 88 5.122 -8.345 -6.044 1.00 13.44 C ATOM 1405 O GLN A 88 5.749 -9.353 -5.718 1.00 12.34 O ATOM 1406 CB GLN A 88 6.108 -6.703 -7.652 1.00 40.45 C ATOM 1407 CG GLN A 88 5.023 -5.881 -8.329 1.00 14.55 C ATOM 1408 CD GLN A 88 5.405 -4.421 -8.480 1.00 33.30 C ATOM 1409 OE1 GLN A 88 4.429 -3.585 -8.813 1.00 74.45 O flip ATOM 1410 NE2 GLN A 88 6.565 -4.049 -8.299 1.00 74.04 N flip ATOM 0 H GLN A 88 7.903 -6.820 -5.967 1.00 61.44 H new ATOM 0 HA GLN A 88 5.166 -6.225 -5.781 1.00 10.44 H new ATOM 0 HB2 GLN A 88 7.057 -6.172 -7.731 1.00 40.45 H new ATOM 0 HB3 GLN A 88 6.225 -7.646 -8.187 1.00 40.45 H new ATOM 0 HG2 GLN A 88 4.814 -6.302 -9.313 1.00 14.55 H new ATOM 0 HG3 GLN A 88 4.103 -5.954 -7.750 1.00 14.55 H new ATOM 0 HE21 GLN A 88 7.284 -4.726 -8.044 1.00 74.04 H new ATOM 0 HE22 GLN A 88 6.807 -3.064 -8.404 1.00 74.04 H new ATOM 1419 N ASP A 89 3.817 -8.354 -6.296 1.00 25.02 N ATOM 1420 CA ASP A 89 3.030 -9.578 -6.203 1.00 54.32 C ATOM 1421 C ASP A 89 1.905 -9.580 -7.234 1.00 45.44 C ATOM 1422 O ASP A 89 1.871 -8.738 -8.131 1.00 11.33 O ATOM 1423 CB ASP A 89 2.448 -9.730 -4.797 1.00 25.14 C ATOM 1424 CG ASP A 89 2.931 -10.989 -4.104 1.00 63.30 C ATOM 1425 OD1 ASP A 89 2.923 -12.060 -4.747 1.00 1.33 O ATOM 1426 OD2 ASP A 89 3.317 -10.904 -2.919 1.00 34.51 O ATOM 0 H ASP A 89 3.283 -7.528 -6.566 1.00 25.02 H new ATOM 0 HA ASP A 89 3.690 -10.421 -6.408 1.00 54.32 H new ATOM 0 HB2 ASP A 89 2.721 -8.861 -4.198 1.00 25.14 H new ATOM 0 HB3 ASP A 89 1.360 -9.746 -4.857 1.00 25.14 H new ATOM 1431 N ASN A 90 0.988 -10.532 -7.101 1.00 24.22 N ATOM 1432 CA ASN A 90 -0.137 -10.645 -8.022 1.00 45.12 C ATOM 1433 C ASN A 90 0.261 -11.422 -9.273 1.00 71.04 C ATOM 1434 O ASN A 90 -0.571 -12.075 -9.902 1.00 52.31 O ATOM 1435 CB ASN A 90 -0.645 -9.255 -8.411 1.00 70.33 C ATOM 1436 CG ASN A 90 -0.534 -8.259 -7.273 1.00 70.31 C ATOM 1437 OD1 ASN A 90 0.130 -7.230 -7.397 1.00 22.25 O ATOM 1438 ND2 ASN A 90 -1.186 -8.562 -6.157 1.00 20.25 N ATOM 0 H ASN A 90 1.002 -11.237 -6.364 1.00 24.22 H new ATOM 0 HA ASN A 90 -0.936 -11.188 -7.517 1.00 45.12 H new ATOM 0 HB2 ASN A 90 -0.077 -8.890 -9.266 1.00 70.33 H new ATOM 0 HB3 ASN A 90 -1.686 -9.327 -8.727 1.00 70.33 H new ATOM 0 HD21 ASN A 90 -1.149 -7.930 -5.357 1.00 20.25 H new ATOM 0 HD22 ASN A 90 -1.724 -9.427 -6.099 1.00 20.25 H new ATOM 1445 N GLY A 91 1.540 -11.347 -9.629 1.00 20.21 N ATOM 1446 CA GLY A 91 2.026 -12.048 -10.803 1.00 30.31 C ATOM 1447 C GLY A 91 0.996 -12.102 -11.914 1.00 31.54 C ATOM 1448 O GLY A 91 0.339 -13.124 -12.110 1.00 21.44 O ATOM 0 H GLY A 91 2.248 -10.813 -9.125 1.00 20.21 H new ATOM 0 HA2 GLY A 91 2.926 -11.555 -11.170 1.00 30.31 H new ATOM 0 HA3 GLY A 91 2.309 -13.063 -10.525 1.00 30.31 H new ATOM 1452 N GLU A 92 0.853 -10.999 -12.641 1.00 5.10 N ATOM 1453 CA GLU A 92 -0.107 -10.925 -13.736 1.00 65.21 C ATOM 1454 C GLU A 92 0.162 -9.706 -14.614 1.00 13.04 C ATOM 1455 O GLU A 92 -0.154 -8.577 -14.239 1.00 0.24 O ATOM 1456 CB GLU A 92 -1.534 -10.869 -13.189 1.00 75.41 C ATOM 1457 CG GLU A 92 -2.602 -11.050 -14.255 1.00 70.11 C ATOM 1458 CD GLU A 92 -3.989 -10.688 -13.760 1.00 5.44 C ATOM 1459 OE1 GLU A 92 -4.128 -9.630 -13.109 1.00 63.51 O ATOM 1460 OE2 GLU A 92 -4.934 -11.460 -14.022 1.00 23.34 O ATOM 0 H GLU A 92 1.389 -10.144 -12.492 1.00 5.10 H new ATOM 0 HA GLU A 92 0.006 -11.822 -14.346 1.00 65.21 H new ATOM 0 HB2 GLU A 92 -1.654 -11.643 -12.431 1.00 75.41 H new ATOM 0 HB3 GLU A 92 -1.687 -9.911 -12.693 1.00 75.41 H new ATOM 0 HG2 GLU A 92 -2.356 -10.432 -15.119 1.00 70.11 H new ATOM 0 HG3 GLU A 92 -2.600 -12.086 -14.593 1.00 70.11 H new ATOM 1467 N TRP A 93 0.746 -9.943 -15.782 1.00 63.02 N ATOM 1468 CA TRP A 93 1.058 -8.865 -16.713 1.00 50.45 C ATOM 1469 C TRP A 93 0.913 -9.333 -18.157 1.00 64.11 C ATOM 1470 O TRP A 93 1.675 -10.181 -18.625 1.00 54.41 O ATOM 1471 CB TRP A 93 2.477 -8.348 -16.471 1.00 63.45 C ATOM 1472 CG TRP A 93 2.626 -7.603 -15.180 1.00 1.03 C ATOM 1473 CD1 TRP A 93 2.271 -6.307 -14.936 1.00 21.03 C ATOM 1474 CD2 TRP A 93 3.171 -8.109 -13.956 1.00 42.13 C ATOM 1475 NE1 TRP A 93 2.563 -5.977 -13.634 1.00 53.22 N ATOM 1476 CE2 TRP A 93 3.115 -7.065 -13.012 1.00 73.10 C ATOM 1477 CE3 TRP A 93 3.699 -9.342 -13.566 1.00 23.31 C ATOM 1478 CZ2 TRP A 93 3.568 -7.219 -11.705 1.00 31.34 C ATOM 1479 CZ3 TRP A 93 4.149 -9.494 -12.268 1.00 11.40 C ATOM 1480 CH2 TRP A 93 4.080 -8.437 -11.350 1.00 23.54 C ATOM 0 H TRP A 93 1.013 -10.872 -16.107 1.00 63.02 H new ATOM 0 HA TRP A 93 0.350 -8.054 -16.541 1.00 50.45 H new ATOM 0 HB2 TRP A 93 3.169 -9.190 -16.478 1.00 63.45 H new ATOM 0 HB3 TRP A 93 2.763 -7.694 -17.295 1.00 63.45 H new ATOM 0 HD1 TRP A 93 1.826 -5.640 -15.659 1.00 21.03 H new ATOM 0 HE1 TRP A 93 2.396 -5.069 -13.201 1.00 53.22 H new ATOM 0 HE3 TRP A 93 3.755 -10.162 -14.266 1.00 23.31 H new ATOM 0 HZ2 TRP A 93 3.517 -6.406 -10.996 1.00 31.34 H new ATOM 0 HZ3 TRP A 93 4.560 -10.443 -11.956 1.00 11.40 H new ATOM 0 HH2 TRP A 93 4.438 -8.587 -10.342 1.00 23.54 H new ATOM 1491 N THR A 94 -0.068 -8.777 -18.860 1.00 52.42 N ATOM 1492 CA THR A 94 -0.313 -9.138 -20.251 1.00 23.54 C ATOM 1493 C THR A 94 0.622 -8.382 -21.188 1.00 75.10 C ATOM 1494 O THR A 94 0.890 -7.197 -20.990 1.00 62.11 O ATOM 1495 CB THR A 94 -1.771 -8.853 -20.657 1.00 62.32 C ATOM 1496 OG1 THR A 94 -2.666 -9.605 -19.830 1.00 10.52 O ATOM 1497 CG2 THR A 94 -2.004 -9.208 -22.118 1.00 54.31 C ATOM 0 H THR A 94 -0.707 -8.074 -18.489 1.00 52.42 H new ATOM 0 HA THR A 94 -0.123 -10.208 -20.338 1.00 23.54 H new ATOM 0 HB THR A 94 -1.961 -7.788 -20.523 1.00 62.32 H new ATOM 0 HG1 THR A 94 -3.591 -9.417 -20.093 1.00 10.52 H new ATOM 0 HG21 THR A 94 -3.040 -8.999 -22.383 1.00 54.31 H new ATOM 0 HG22 THR A 94 -1.342 -8.613 -22.747 1.00 54.31 H new ATOM 0 HG23 THR A 94 -1.797 -10.267 -22.273 1.00 54.31 H new ATOM 1505 N VAL A 95 1.114 -9.074 -22.211 1.00 20.35 N ATOM 1506 CA VAL A 95 2.017 -8.467 -23.180 1.00 44.14 C ATOM 1507 C VAL A 95 1.251 -7.617 -24.188 1.00 23.01 C ATOM 1508 O VAL A 95 0.501 -8.140 -25.011 1.00 53.51 O ATOM 1509 CB VAL A 95 2.828 -9.535 -23.938 1.00 23.11 C ATOM 1510 CG1 VAL A 95 3.906 -8.883 -24.790 1.00 50.24 C ATOM 1511 CG2 VAL A 95 3.438 -10.531 -22.963 1.00 2.01 C ATOM 0 H VAL A 95 0.902 -10.056 -22.389 1.00 20.35 H new ATOM 0 HA VAL A 95 2.702 -7.832 -22.619 1.00 44.14 H new ATOM 0 HB VAL A 95 2.153 -10.076 -24.601 1.00 23.11 H new ATOM 0 HG11 VAL A 95 4.468 -9.653 -25.318 1.00 50.24 H new ATOM 0 HG12 VAL A 95 3.442 -8.213 -25.513 1.00 50.24 H new ATOM 0 HG13 VAL A 95 4.581 -8.315 -24.150 1.00 50.24 H new ATOM 0 HG21 VAL A 95 4.008 -11.279 -23.515 1.00 2.01 H new ATOM 0 HG22 VAL A 95 4.100 -10.007 -22.274 1.00 2.01 H new ATOM 0 HG23 VAL A 95 2.644 -11.022 -22.400 1.00 2.01 H new ATOM 1521 N GLU A 96 1.447 -6.304 -24.117 1.00 31.15 N ATOM 1522 CA GLU A 96 0.773 -5.382 -25.023 1.00 44.31 C ATOM 1523 C GLU A 96 1.727 -4.287 -25.493 1.00 62.10 C ATOM 1524 O GLU A 96 1.300 -3.256 -26.011 1.00 74.53 O ATOM 1525 CB GLU A 96 -0.442 -4.754 -24.338 1.00 32.35 C ATOM 1526 CG GLU A 96 -1.664 -5.658 -24.318 1.00 42.24 C ATOM 1527 CD GLU A 96 -2.898 -4.982 -24.882 1.00 54.50 C ATOM 1528 OE1 GLU A 96 -2.805 -4.396 -25.981 1.00 14.01 O ATOM 1529 OE2 GLU A 96 -3.958 -5.038 -24.223 1.00 71.54 O ATOM 0 H GLU A 96 2.066 -5.856 -23.442 1.00 31.15 H new ATOM 0 HA GLU A 96 0.438 -5.948 -25.892 1.00 44.31 H new ATOM 0 HB2 GLU A 96 -0.177 -4.493 -23.313 1.00 32.35 H new ATOM 0 HB3 GLU A 96 -0.696 -3.825 -24.848 1.00 32.35 H new ATOM 0 HG2 GLU A 96 -1.454 -6.560 -24.893 1.00 42.24 H new ATOM 0 HG3 GLU A 96 -1.862 -5.972 -23.293 1.00 42.24 H new ATOM 1536 N GLY A 97 3.023 -4.519 -25.307 1.00 61.30 N ATOM 1537 CA GLY A 97 4.018 -3.545 -25.716 1.00 54.22 C ATOM 1538 C GLY A 97 5.235 -4.189 -26.349 1.00 20.32 C ATOM 1539 O GLY A 97 5.901 -5.018 -25.728 1.00 32.21 O ATOM 0 H GLY A 97 3.402 -5.365 -24.880 1.00 61.30 H new ATOM 0 HA2 GLY A 97 3.570 -2.848 -26.424 1.00 54.22 H new ATOM 0 HA3 GLY A 97 4.329 -2.962 -24.849 1.00 54.22 H new ATOM 1543 N PHE A 98 5.527 -3.810 -27.588 1.00 54.35 N ATOM 1544 CA PHE A 98 6.671 -4.358 -28.307 1.00 32.51 C ATOM 1545 C PHE A 98 7.915 -3.504 -28.082 1.00 20.44 C ATOM 1546 O PHE A 98 7.838 -2.409 -27.525 1.00 34.23 O ATOM 1547 CB PHE A 98 6.365 -4.449 -29.803 1.00 73.03 C ATOM 1548 CG PHE A 98 6.551 -5.827 -30.371 1.00 21.10 C ATOM 1549 CD1 PHE A 98 6.075 -6.939 -29.696 1.00 32.24 C ATOM 1550 CD2 PHE A 98 7.203 -6.010 -31.580 1.00 30.32 C ATOM 1551 CE1 PHE A 98 6.244 -8.209 -30.215 1.00 43.34 C ATOM 1552 CE2 PHE A 98 7.375 -7.277 -32.105 1.00 30.33 C ATOM 1553 CZ PHE A 98 6.896 -8.378 -31.421 1.00 42.11 C ATOM 0 H PHE A 98 4.987 -3.125 -28.116 1.00 54.35 H new ATOM 0 HA PHE A 98 6.864 -5.359 -27.922 1.00 32.51 H new ATOM 0 HB2 PHE A 98 5.337 -4.129 -29.975 1.00 73.03 H new ATOM 0 HB3 PHE A 98 7.009 -3.753 -30.340 1.00 73.03 H new ATOM 0 HD1 PHE A 98 5.565 -6.812 -28.752 1.00 32.24 H new ATOM 0 HD2 PHE A 98 7.581 -5.153 -32.118 1.00 30.32 H new ATOM 0 HE1 PHE A 98 5.867 -9.067 -29.679 1.00 43.34 H new ATOM 0 HE2 PHE A 98 7.883 -7.406 -33.049 1.00 30.33 H new ATOM 0 HZ PHE A 98 7.031 -9.369 -31.829 1.00 42.11 H new ATOM 1563 N VAL A 99 9.062 -4.014 -28.518 1.00 65.21 N ATOM 1564 CA VAL A 99 10.324 -3.299 -28.365 1.00 71.32 C ATOM 1565 C VAL A 99 11.427 -3.947 -29.195 1.00 53.32 C ATOM 1566 O VAL A 99 11.367 -5.137 -29.505 1.00 3.14 O ATOM 1567 CB VAL A 99 10.767 -3.252 -26.891 1.00 10.32 C ATOM 1568 CG1 VAL A 99 10.587 -1.852 -26.324 1.00 44.40 C ATOM 1569 CG2 VAL A 99 9.993 -4.272 -26.069 1.00 41.42 C ATOM 0 H VAL A 99 9.144 -4.920 -28.980 1.00 65.21 H new ATOM 0 HA VAL A 99 10.156 -2.282 -28.719 1.00 71.32 H new ATOM 0 HB VAL A 99 11.826 -3.506 -26.840 1.00 10.32 H new ATOM 0 HG11 VAL A 99 10.905 -1.838 -25.282 1.00 44.40 H new ATOM 0 HG12 VAL A 99 11.190 -1.147 -26.897 1.00 44.40 H new ATOM 0 HG13 VAL A 99 9.537 -1.566 -26.387 1.00 44.40 H new ATOM 0 HG21 VAL A 99 10.319 -4.225 -25.030 1.00 41.42 H new ATOM 0 HG22 VAL A 99 8.927 -4.051 -26.125 1.00 41.42 H new ATOM 0 HG23 VAL A 99 10.178 -5.272 -26.462 1.00 41.42 H new ATOM 1579 N ASP A 100 12.432 -3.156 -29.552 1.00 44.22 N ATOM 1580 CA ASP A 100 13.551 -3.652 -30.346 1.00 31.04 C ATOM 1581 C ASP A 100 14.850 -3.597 -29.548 1.00 11.14 C ATOM 1582 O ASP A 100 15.209 -2.555 -29.001 1.00 44.31 O ATOM 1583 CB ASP A 100 13.693 -2.837 -31.632 1.00 10.32 C ATOM 1584 CG ASP A 100 14.066 -1.392 -31.363 1.00 65.12 C ATOM 1585 OD1 ASP A 100 13.836 -0.921 -30.230 1.00 25.10 O ATOM 1586 OD2 ASP A 100 14.588 -0.732 -32.287 1.00 20.23 O ATOM 0 H ASP A 100 12.495 -2.169 -29.305 1.00 44.22 H new ATOM 0 HA ASP A 100 13.348 -4.691 -30.605 1.00 31.04 H new ATOM 0 HB2 ASP A 100 14.453 -3.293 -32.266 1.00 10.32 H new ATOM 0 HB3 ASP A 100 12.754 -2.870 -32.185 1.00 10.32 H new ATOM 1591 N GLU A 101 15.548 -4.726 -29.485 1.00 23.32 N ATOM 1592 CA GLU A 101 16.806 -4.806 -28.752 1.00 3.04 C ATOM 1593 C GLU A 101 17.986 -4.458 -29.655 1.00 54.42 C ATOM 1594 O GLU A 101 19.045 -5.080 -29.579 1.00 15.10 O ATOM 1595 CB GLU A 101 16.994 -6.208 -28.167 1.00 51.44 C ATOM 1596 CG GLU A 101 18.014 -6.267 -27.043 1.00 1.21 C ATOM 1597 CD GLU A 101 18.604 -7.652 -26.863 1.00 21.02 C ATOM 1598 OE1 GLU A 101 17.881 -8.641 -27.107 1.00 51.55 O ATOM 1599 OE2 GLU A 101 19.788 -7.748 -26.477 1.00 52.12 O ATOM 0 H GLU A 101 15.264 -5.598 -29.932 1.00 23.32 H new ATOM 0 HA GLU A 101 16.768 -4.082 -27.938 1.00 3.04 H new ATOM 0 HB2 GLU A 101 16.035 -6.569 -27.795 1.00 51.44 H new ATOM 0 HB3 GLU A 101 17.303 -6.886 -28.963 1.00 51.44 H new ATOM 0 HG2 GLU A 101 18.816 -5.558 -27.248 1.00 1.21 H new ATOM 0 HG3 GLU A 101 17.542 -5.953 -26.112 1.00 1.21 H new ATOM 1606 N ALA A 102 17.793 -3.459 -30.511 1.00 2.14 N ATOM 1607 CA ALA A 102 18.840 -3.026 -31.428 1.00 22.32 C ATOM 1608 C ALA A 102 18.406 -1.795 -32.216 1.00 33.04 C ATOM 1609 O ALA A 102 19.227 -0.942 -32.555 1.00 73.02 O ATOM 1610 CB ALA A 102 19.212 -4.157 -32.375 1.00 62.23 C ATOM 0 H ALA A 102 16.921 -2.935 -30.588 1.00 2.14 H new ATOM 0 HA ALA A 102 19.716 -2.757 -30.838 1.00 22.32 H new ATOM 0 HB1 ALA A 102 19.995 -3.820 -33.054 1.00 62.23 H new ATOM 0 HB2 ALA A 102 19.573 -5.009 -31.800 1.00 62.23 H new ATOM 0 HB3 ALA A 102 18.335 -4.453 -32.951 1.00 62.23 H new TER 1616 ALA A 102