USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 THR OG1 : rot 179:sc= 0.116 USER MOD Set 1.2: A 84 LYS NZ :NH3+ -135:sc= 1.21 (180deg=0.908) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 151:sc= 1.86 (180deg=1.09) USER MOD Set 2.2: A 10 TYR OH : rot 109:sc= 0.565 USER MOD Set 3.1: A 5 HIS : no HE2:sc= 0.939 K(o=2.8,f=-2.8!) USER MOD Set 3.2: A 6 SER OG : rot 133:sc= 1.01 USER MOD Set 3.3: A 8 SER OG : rot 180:sc= 0.875 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.413) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.35 USER MOD Single : A 34 ASN : amide:sc= -0.457 K(o=-0.46,f=-2.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -158:sc= -1.92! USER MOD Single : A 46 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-7.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00124 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.583 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 161:sc= 1.27 (180deg=1.05) USER MOD Single : A 78 ASN :FLIP amide:sc= 0.853 F(o=-0.28,f=0.85) USER MOD Single : A 80 LYS NZ :NH3+ 139:sc= 0.304 (180deg=-1.44!) USER MOD Single : A 81 SER OG : rot 180:sc= 0.00322 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.339 F(o=-1,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 12.729 7.575 -8.802 1.00 0.00 N ATOM 2 CA GLU A 2 12.440 8.929 -8.331 1.00 0.00 C ATOM 3 C GLU A 2 12.206 8.864 -6.830 1.00 0.00 C ATOM 4 O GLU A 2 11.888 7.796 -6.302 1.00 0.00 O ATOM 5 CB GLU A 2 11.179 9.475 -9.037 1.00 0.00 C ATOM 6 CG GLU A 2 10.777 10.887 -8.612 1.00 0.00 C ATOM 7 CD GLU A 2 9.449 11.326 -9.177 1.00 0.00 C ATOM 8 OE1 GLU A 2 8.397 10.928 -8.637 1.00 0.00 O ATOM 9 OE2 GLU A 2 9.417 12.106 -10.132 1.00 0.00 O ATOM 0 HA GLU A 2 13.274 9.593 -8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.349 9.468 -10.114 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.347 8.799 -8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.734 10.933 -7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.549 11.588 -8.930 1.00 0.00 H new ATOM 16 N LEU A 3 12.393 9.963 -6.135 1.00 0.00 N ATOM 17 CA LEU A 3 12.107 10.008 -4.733 1.00 0.00 C ATOM 18 C LEU A 3 10.897 10.865 -4.442 1.00 0.00 C ATOM 19 O LEU A 3 10.924 12.098 -4.588 1.00 0.00 O ATOM 20 CB LEU A 3 13.315 10.439 -3.898 1.00 0.00 C ATOM 21 CG LEU A 3 14.473 9.436 -3.820 1.00 0.00 C ATOM 22 CD1 LEU A 3 15.618 10.013 -3.010 1.00 0.00 C ATOM 23 CD2 LEU A 3 14.002 8.115 -3.206 1.00 0.00 C ATOM 0 H LEU A 3 12.744 10.837 -6.527 1.00 0.00 H new ATOM 0 HA LEU A 3 11.872 8.987 -4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.698 11.374 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.974 10.649 -2.884 1.00 0.00 H new ATOM 0 HG LEU A 3 14.825 9.240 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.432 9.289 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.973 10.929 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.273 10.236 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.838 7.417 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.624 8.296 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.209 7.690 -3.821 1.00 0.00 H new ATOM 35 N LYS A 4 9.832 10.193 -4.102 1.00 0.00 N ATOM 36 CA LYS A 4 8.589 10.811 -3.687 1.00 0.00 C ATOM 37 C LYS A 4 8.720 11.428 -2.303 1.00 0.00 C ATOM 38 O LYS A 4 9.692 11.161 -1.580 1.00 0.00 O ATOM 39 CB LYS A 4 7.439 9.775 -3.707 1.00 0.00 C ATOM 40 CG LYS A 4 7.777 8.404 -3.135 1.00 0.00 C ATOM 41 CD LYS A 4 8.037 8.403 -1.645 1.00 0.00 C ATOM 42 CE LYS A 4 8.084 6.999 -1.079 1.00 0.00 C ATOM 43 NZ LYS A 4 8.969 6.061 -1.841 1.00 0.00 N ATOM 0 H LYS A 4 9.797 9.174 -4.104 1.00 0.00 H new ATOM 0 HA LYS A 4 8.357 11.609 -4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.596 10.184 -3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.107 9.647 -4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.956 7.720 -3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.658 8.016 -3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.981 8.908 -1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.256 8.972 -1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.428 7.047 -0.046 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.073 6.593 -1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.344 5.336 -1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.420 5.602 -2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.758 6.592 -2.261 1.00 0.00 H new ATOM 57 N HIS A 5 7.753 12.213 -1.916 1.00 0.00 N ATOM 58 CA HIS A 5 7.789 12.795 -0.596 1.00 0.00 C ATOM 59 C HIS A 5 6.902 12.016 0.396 1.00 0.00 C ATOM 60 O HIS A 5 7.255 11.886 1.565 1.00 0.00 O ATOM 61 CB HIS A 5 7.456 14.316 -0.616 1.00 0.00 C ATOM 62 CG HIS A 5 6.039 14.667 -0.978 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.501 14.511 -2.229 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.044 15.157 -0.210 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.236 14.891 -2.188 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.897 15.299 -0.985 1.00 0.00 N ATOM 0 H HIS A 5 6.942 12.464 -2.482 1.00 0.00 H new ATOM 0 HA HIS A 5 8.815 12.709 -0.238 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.674 14.730 0.368 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.125 14.807 -1.323 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.993 14.161 -3.051 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.125 15.400 0.839 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.566 14.869 -3.035 1.00 0.00 H new ATOM 74 N SER A 6 5.787 11.453 -0.076 1.00 0.00 N ATOM 75 CA SER A 6 4.843 10.790 0.825 1.00 0.00 C ATOM 76 C SER A 6 3.946 9.815 0.058 1.00 0.00 C ATOM 77 O SER A 6 4.191 9.541 -1.116 1.00 0.00 O ATOM 78 CB SER A 6 3.973 11.864 1.457 1.00 0.00 C ATOM 79 OG SER A 6 3.266 12.557 0.441 1.00 0.00 O ATOM 0 H SER A 6 5.519 11.442 -1.060 1.00 0.00 H new ATOM 0 HA SER A 6 5.395 10.228 1.578 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.272 11.413 2.160 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.590 12.560 2.025 1.00 0.00 H new ATOM 0 HG SER A 6 2.322 12.632 0.692 1.00 0.00 H new ATOM 85 N ILE A 7 2.909 9.297 0.737 1.00 0.00 N ATOM 86 CA ILE A 7 1.918 8.428 0.114 1.00 0.00 C ATOM 87 C ILE A 7 1.027 9.244 -0.831 1.00 0.00 C ATOM 88 O ILE A 7 0.566 8.751 -1.847 1.00 0.00 O ATOM 89 CB ILE A 7 1.016 7.684 1.170 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.144 6.633 0.473 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.137 8.666 1.963 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.685 5.801 1.416 1.00 0.00 C ATOM 0 H ILE A 7 2.742 9.472 1.728 1.00 0.00 H new ATOM 0 HA ILE A 7 2.466 7.669 -0.443 1.00 0.00 H new ATOM 0 HB ILE A 7 1.678 7.188 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.520 7.135 -0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.786 5.972 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.470 8.113 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.772 9.375 2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.515 9.206 1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.273 5.082 0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.029 5.269 2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.354 6.450 1.981 1.00 0.00 H new ATOM 104 N SER A 8 0.841 10.516 -0.501 1.00 0.00 N ATOM 105 CA SER A 8 -0.009 11.392 -1.262 1.00 0.00 C ATOM 106 C SER A 8 0.698 11.868 -2.528 1.00 0.00 C ATOM 107 O SER A 8 0.116 12.556 -3.365 1.00 0.00 O ATOM 108 CB SER A 8 -0.474 12.548 -0.366 1.00 0.00 C ATOM 109 OG SER A 8 0.638 13.217 0.215 1.00 0.00 O ATOM 0 H SER A 8 1.281 10.960 0.305 1.00 0.00 H new ATOM 0 HA SER A 8 -0.896 10.854 -1.596 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.063 13.254 -0.952 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.125 12.165 0.420 1.00 0.00 H new ATOM 0 HG SER A 8 0.319 13.951 0.781 1.00 0.00 H new ATOM 115 N ASP A 9 1.974 11.514 -2.641 1.00 0.00 N ATOM 116 CA ASP A 9 2.754 11.768 -3.852 1.00 0.00 C ATOM 117 C ASP A 9 2.317 10.749 -4.903 1.00 0.00 C ATOM 118 O ASP A 9 2.350 11.002 -6.112 1.00 0.00 O ATOM 119 CB ASP A 9 4.252 11.586 -3.559 1.00 0.00 C ATOM 120 CG ASP A 9 5.186 12.082 -4.661 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.285 11.461 -5.733 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.878 13.100 -4.440 1.00 0.00 O ATOM 0 H ASP A 9 2.496 11.045 -1.901 1.00 0.00 H new ATOM 0 HA ASP A 9 2.589 12.787 -4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.493 12.111 -2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.448 10.528 -3.385 1.00 0.00 H new ATOM 127 N TYR A 10 1.870 9.605 -4.421 1.00 0.00 N ATOM 128 CA TYR A 10 1.427 8.533 -5.266 1.00 0.00 C ATOM 129 C TYR A 10 -0.019 8.722 -5.633 1.00 0.00 C ATOM 130 O TYR A 10 -0.855 9.023 -4.784 1.00 0.00 O ATOM 131 CB TYR A 10 1.565 7.171 -4.564 1.00 0.00 C ATOM 132 CG TYR A 10 2.975 6.679 -4.341 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.772 7.193 -3.330 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.509 5.676 -5.145 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.028 6.739 -3.133 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.791 5.210 -4.941 1.00 0.00 C ATOM 137 CZ TYR A 10 5.546 5.750 -3.931 1.00 0.00 C ATOM 138 OH TYR A 10 6.836 5.298 -3.708 1.00 0.00 O ATOM 0 H TYR A 10 1.807 9.400 -3.424 1.00 0.00 H new ATOM 0 HA TYR A 10 2.054 8.547 -6.158 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.066 7.231 -3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.031 6.426 -5.153 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.382 7.970 -2.689 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.911 5.257 -5.940 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.630 7.158 -2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.195 4.430 -5.569 1.00 0.00 H new ATOM 0 HH TYR A 10 6.805 4.395 -3.329 1.00 0.00 H new ATOM 148 N THR A 11 -0.303 8.580 -6.890 1.00 0.00 N ATOM 149 CA THR A 11 -1.643 8.537 -7.383 1.00 0.00 C ATOM 150 C THR A 11 -2.174 7.159 -6.963 1.00 0.00 C ATOM 151 O THR A 11 -1.354 6.241 -6.746 1.00 0.00 O ATOM 152 CB THR A 11 -1.560 8.635 -8.919 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.264 9.192 -9.249 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.629 9.568 -9.481 1.00 0.00 C ATOM 0 H THR A 11 0.406 8.489 -7.617 1.00 0.00 H new ATOM 0 HA THR A 11 -2.284 9.335 -7.008 1.00 0.00 H new ATOM 0 HB THR A 11 -1.709 7.643 -9.345 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.172 9.251 -10.223 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.539 9.612 -10.566 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.617 9.193 -9.213 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.495 10.567 -9.065 1.00 0.00 H new ATOM 162 N GLU A 12 -3.484 6.990 -6.845 1.00 0.00 N ATOM 163 CA GLU A 12 -4.041 5.724 -6.346 1.00 0.00 C ATOM 164 C GLU A 12 -3.565 4.542 -7.196 1.00 0.00 C ATOM 165 O GLU A 12 -3.196 3.514 -6.669 1.00 0.00 O ATOM 166 CB GLU A 12 -5.567 5.757 -6.298 1.00 0.00 C ATOM 167 CG GLU A 12 -6.170 4.583 -5.535 1.00 0.00 C ATOM 168 CD GLU A 12 -7.671 4.536 -5.602 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.343 5.385 -4.986 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.222 3.644 -6.274 1.00 0.00 O ATOM 0 H GLU A 12 -4.179 7.698 -7.082 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.675 5.593 -5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.889 6.688 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.956 5.758 -7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.766 3.653 -5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.862 4.641 -4.491 1.00 0.00 H new ATOM 177 N ALA A 13 -3.510 4.740 -8.502 1.00 0.00 N ATOM 178 CA ALA A 13 -3.066 3.701 -9.441 1.00 0.00 C ATOM 179 C ALA A 13 -1.585 3.346 -9.239 1.00 0.00 C ATOM 180 O ALA A 13 -1.188 2.188 -9.385 1.00 0.00 O ATOM 181 CB ALA A 13 -3.315 4.144 -10.874 1.00 0.00 C ATOM 0 H ALA A 13 -3.769 5.619 -8.949 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.649 2.802 -9.240 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.981 3.365 -11.559 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.380 4.323 -11.020 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.762 5.062 -11.072 1.00 0.00 H new ATOM 187 N GLU A 14 -0.790 4.338 -8.864 1.00 0.00 N ATOM 188 CA GLU A 14 0.647 4.149 -8.635 1.00 0.00 C ATOM 189 C GLU A 14 0.861 3.434 -7.335 1.00 0.00 C ATOM 190 O GLU A 14 1.718 2.565 -7.210 1.00 0.00 O ATOM 191 CB GLU A 14 1.370 5.492 -8.615 1.00 0.00 C ATOM 192 CG GLU A 14 1.308 6.237 -9.926 1.00 0.00 C ATOM 193 CD GLU A 14 1.875 5.425 -11.053 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.075 5.112 -11.024 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.133 5.072 -11.978 1.00 0.00 O ATOM 0 H GLU A 14 -1.114 5.293 -8.709 1.00 0.00 H new ATOM 0 HA GLU A 14 1.055 3.550 -9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.937 6.115 -7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.415 5.328 -8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.273 6.496 -10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.859 7.173 -9.839 1.00 0.00 H new ATOM 202 N PHE A 15 0.057 3.784 -6.378 1.00 0.00 N ATOM 203 CA PHE A 15 0.078 3.142 -5.105 1.00 0.00 C ATOM 204 C PHE A 15 -0.466 1.743 -5.247 1.00 0.00 C ATOM 205 O PHE A 15 -0.059 0.849 -4.573 1.00 0.00 O ATOM 206 CB PHE A 15 -0.710 3.942 -4.090 1.00 0.00 C ATOM 207 CG PHE A 15 -0.685 3.336 -2.738 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.350 3.603 -1.869 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.698 2.490 -2.338 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.371 3.038 -0.625 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.684 1.927 -1.106 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.648 2.197 -0.241 1.00 0.00 C ATOM 0 H PHE A 15 -0.636 4.528 -6.462 1.00 0.00 H new ATOM 0 HA PHE A 15 1.104 3.084 -4.743 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.306 4.953 -4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.743 4.029 -4.425 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.149 4.263 -2.173 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.512 2.274 -3.015 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.184 3.251 0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.484 1.268 -0.803 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.635 1.748 0.741 1.00 0.00 H new ATOM 222 N LEU A 16 -1.380 1.566 -6.124 1.00 0.00 N ATOM 223 CA LEU A 16 -1.929 0.263 -6.368 1.00 0.00 C ATOM 224 C LEU A 16 -0.897 -0.610 -7.066 1.00 0.00 C ATOM 225 O LEU A 16 -0.933 -1.835 -7.006 1.00 0.00 O ATOM 226 CB LEU A 16 -3.258 0.407 -7.101 1.00 0.00 C ATOM 227 CG LEU A 16 -4.108 -0.812 -7.169 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.561 -0.424 -7.189 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.818 -1.585 -8.389 1.00 0.00 C ATOM 0 H LEU A 16 -1.776 2.310 -6.698 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.158 -0.256 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.832 1.198 -6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.053 0.739 -8.119 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.890 -1.421 -6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.177 -1.322 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.802 0.131 -6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.759 0.200 -8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.451 -2.472 -8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.017 -0.969 -9.266 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.771 -1.887 -8.388 1.00 0.00 H new ATOM 241 N GLU A 17 0.016 0.019 -7.694 1.00 0.00 N ATOM 242 CA GLU A 17 1.164 -0.666 -8.171 1.00 0.00 C ATOM 243 C GLU A 17 2.141 -0.995 -7.046 1.00 0.00 C ATOM 244 O GLU A 17 2.958 -1.854 -7.231 1.00 0.00 O ATOM 245 CB GLU A 17 1.882 -0.016 -9.344 1.00 0.00 C ATOM 246 CG GLU A 17 1.196 -0.205 -10.675 1.00 0.00 C ATOM 247 CD GLU A 17 2.150 0.011 -11.815 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.995 -0.895 -12.076 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.078 1.052 -12.489 1.00 0.00 O ATOM 0 H GLU A 17 -0.004 1.019 -7.895 1.00 0.00 H new ATOM 0 HA GLU A 17 0.759 -1.594 -8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.981 1.052 -9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.891 -0.423 -9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.779 -1.210 -10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.362 0.491 -10.759 1.00 0.00 H new ATOM 256 N PHE A 18 2.054 -0.295 -5.873 1.00 0.00 N ATOM 257 CA PHE A 18 2.937 -0.604 -4.695 1.00 0.00 C ATOM 258 C PHE A 18 2.804 -2.052 -4.396 1.00 0.00 C ATOM 259 O PHE A 18 3.761 -2.795 -4.376 1.00 0.00 O ATOM 260 CB PHE A 18 2.579 0.252 -3.364 1.00 0.00 C ATOM 261 CG PHE A 18 1.814 -0.475 -2.143 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.409 -0.605 -2.094 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.525 -1.011 -1.069 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.231 -1.254 -1.009 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.875 -1.646 -0.001 1.00 0.00 C ATOM 266 CZ PHE A 18 0.509 -1.765 0.020 1.00 0.00 C ATOM 0 H PHE A 18 1.398 0.470 -5.716 1.00 0.00 H new ATOM 0 HA PHE A 18 3.956 -0.329 -4.966 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.513 0.656 -2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.970 1.101 -3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.189 -0.202 -2.898 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.602 -0.935 -1.060 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.307 -1.345 -0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.458 -2.046 0.815 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.020 -2.260 0.846 1.00 0.00 H new ATOM 276 N VAL A 19 1.587 -2.440 -4.267 1.00 0.00 N ATOM 277 CA VAL A 19 1.236 -3.755 -3.873 1.00 0.00 C ATOM 278 C VAL A 19 1.486 -4.760 -4.986 1.00 0.00 C ATOM 279 O VAL A 19 1.958 -5.868 -4.733 1.00 0.00 O ATOM 280 CB VAL A 19 -0.214 -3.791 -3.348 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.194 -3.304 -4.374 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.583 -5.139 -2.788 1.00 0.00 C ATOM 0 H VAL A 19 0.785 -1.833 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 19 1.885 -4.054 -3.050 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.267 -3.091 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.203 -3.346 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.956 -2.276 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.137 -3.936 -5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.613 -5.115 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.486 -5.895 -3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.083 -5.384 -1.960 1.00 0.00 H new ATOM 292 N LYS A 20 1.209 -4.361 -6.216 1.00 0.00 N ATOM 293 CA LYS A 20 1.491 -5.219 -7.344 1.00 0.00 C ATOM 294 C LYS A 20 2.992 -5.455 -7.439 1.00 0.00 C ATOM 295 O LYS A 20 3.442 -6.569 -7.668 1.00 0.00 O ATOM 296 CB LYS A 20 0.977 -4.635 -8.653 1.00 0.00 C ATOM 297 CG LYS A 20 -0.524 -4.535 -8.718 1.00 0.00 C ATOM 298 CD LYS A 20 -0.983 -4.156 -10.095 1.00 0.00 C ATOM 299 CE LYS A 20 -2.489 -4.078 -10.194 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.958 -3.844 -11.578 1.00 0.00 N ATOM 0 H LYS A 20 0.795 -3.460 -6.453 1.00 0.00 H new ATOM 0 HA LYS A 20 0.971 -6.163 -7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.406 -3.642 -8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.328 -5.252 -9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.967 -5.489 -8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.873 -3.794 -7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.552 -3.192 -10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.611 -4.886 -10.814 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.922 -5.005 -9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.850 -3.275 -9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.997 -3.799 -11.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.569 -2.946 -11.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.638 -4.622 -12.189 1.00 0.00 H new ATOM 314 N LYS A 21 3.750 -4.390 -7.192 1.00 0.00 N ATOM 315 CA LYS A 21 5.194 -4.407 -7.212 1.00 0.00 C ATOM 316 C LYS A 21 5.725 -5.313 -6.126 1.00 0.00 C ATOM 317 O LYS A 21 6.681 -6.004 -6.333 1.00 0.00 O ATOM 318 CB LYS A 21 5.762 -2.983 -7.059 1.00 0.00 C ATOM 319 CG LYS A 21 7.269 -2.888 -7.212 1.00 0.00 C ATOM 320 CD LYS A 21 7.737 -1.444 -7.233 1.00 0.00 C ATOM 321 CE LYS A 21 7.560 -0.734 -5.901 1.00 0.00 C ATOM 322 NZ LYS A 21 8.050 0.661 -5.972 1.00 0.00 N ATOM 0 H LYS A 21 3.360 -3.475 -6.968 1.00 0.00 H new ATOM 0 HA LYS A 21 5.518 -4.797 -8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.293 -2.336 -7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.484 -2.598 -6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.753 -3.416 -6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.574 -3.384 -8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.789 -1.415 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.186 -0.902 -8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.507 -0.739 -5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.100 -1.273 -5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.205 1.024 -5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.945 0.688 -6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.344 1.253 -6.455 1.00 0.00 H new ATOM 336 N ILE A 22 5.064 -5.319 -4.982 1.00 0.00 N ATOM 337 CA ILE A 22 5.455 -6.176 -3.865 1.00 0.00 C ATOM 338 C ILE A 22 5.141 -7.637 -4.174 1.00 0.00 C ATOM 339 O ILE A 22 5.880 -8.538 -3.803 1.00 0.00 O ATOM 340 CB ILE A 22 4.764 -5.752 -2.542 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.124 -4.305 -2.225 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.185 -6.670 -1.393 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.500 -3.758 -0.981 1.00 0.00 C ATOM 0 H ILE A 22 4.247 -4.737 -4.797 1.00 0.00 H new ATOM 0 HA ILE A 22 6.531 -6.062 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 22 3.684 -5.838 -2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.207 -4.227 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.828 -3.680 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.689 -6.355 -0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.901 -7.697 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.265 -6.614 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.815 -2.724 -0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.414 -3.797 -1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.815 -4.353 -0.124 1.00 0.00 H new ATOM 355 N CYS A 23 4.065 -7.858 -4.877 1.00 0.00 N ATOM 356 CA CYS A 23 3.668 -9.195 -5.250 1.00 0.00 C ATOM 357 C CYS A 23 4.639 -9.761 -6.326 1.00 0.00 C ATOM 358 O CYS A 23 4.820 -10.978 -6.464 1.00 0.00 O ATOM 359 CB CYS A 23 2.223 -9.167 -5.763 1.00 0.00 C ATOM 360 SG CYS A 23 1.492 -10.781 -6.070 1.00 0.00 S ATOM 0 H CYS A 23 3.439 -7.124 -5.208 1.00 0.00 H new ATOM 0 HA CYS A 23 3.717 -9.852 -4.381 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.606 -8.638 -5.037 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.193 -8.590 -6.687 1.00 0.00 H new ATOM 0 HG CYS A 23 0.273 -10.631 -6.497 1.00 0.00 H new ATOM 366 N ARG A 24 5.231 -8.865 -7.098 1.00 0.00 N ATOM 367 CA ARG A 24 6.220 -9.220 -8.108 1.00 0.00 C ATOM 368 C ARG A 24 7.655 -8.967 -7.628 1.00 0.00 C ATOM 369 O ARG A 24 8.603 -9.120 -8.388 1.00 0.00 O ATOM 370 CB ARG A 24 5.938 -8.515 -9.436 1.00 0.00 C ATOM 371 CG ARG A 24 6.010 -7.015 -9.389 1.00 0.00 C ATOM 372 CD ARG A 24 5.548 -6.434 -10.694 1.00 0.00 C ATOM 373 NE ARG A 24 5.634 -4.954 -10.735 1.00 0.00 N ATOM 374 CZ ARG A 24 4.625 -4.127 -11.088 1.00 0.00 C ATOM 375 NH1 ARG A 24 3.413 -4.623 -11.333 1.00 0.00 N ATOM 376 NH2 ARG A 24 4.838 -2.802 -11.178 1.00 0.00 N ATOM 0 H ARG A 24 5.039 -7.865 -7.043 1.00 0.00 H new ATOM 0 HA ARG A 24 6.131 -10.293 -8.278 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.650 -8.874 -10.179 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.945 -8.805 -9.780 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.390 -6.639 -8.575 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.033 -6.699 -9.183 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.149 -6.849 -11.503 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.517 -6.737 -10.875 1.00 0.00 H new ATOM 0 HE ARG A 24 6.524 -4.527 -10.477 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.247 -5.626 -11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.651 -3.999 -11.599 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.763 -2.419 -10.980 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.075 -2.180 -11.445 1.00 0.00 H new ATOM 390 N ALA A 25 7.803 -8.630 -6.357 1.00 0.00 N ATOM 391 CA ALA A 25 9.078 -8.164 -5.772 1.00 0.00 C ATOM 392 C ALA A 25 10.082 -9.260 -5.470 1.00 0.00 C ATOM 393 O ALA A 25 11.008 -9.014 -4.693 1.00 0.00 O ATOM 394 CB ALA A 25 8.821 -7.363 -4.516 1.00 0.00 C ATOM 0 H ALA A 25 7.039 -8.668 -5.683 1.00 0.00 H new ATOM 0 HA ALA A 25 9.530 -7.544 -6.546 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.770 -7.027 -4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.204 -6.497 -4.756 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.303 -7.986 -3.787 1.00 0.00 H new ATOM 400 N GLU A 26 9.929 -10.420 -6.127 1.00 0.00 N ATOM 401 CA GLU A 26 10.813 -11.597 -5.961 1.00 0.00 C ATOM 402 C GLU A 26 12.279 -11.162 -5.861 1.00 0.00 C ATOM 403 O GLU A 26 12.976 -11.533 -4.914 1.00 0.00 O ATOM 404 CB GLU A 26 10.656 -12.514 -7.171 1.00 0.00 C ATOM 405 CG GLU A 26 9.234 -12.985 -7.433 1.00 0.00 C ATOM 406 CD GLU A 26 8.717 -13.915 -6.374 1.00 0.00 C ATOM 407 OE1 GLU A 26 8.179 -13.446 -5.370 1.00 0.00 O ATOM 408 OE2 GLU A 26 8.844 -15.148 -6.534 1.00 0.00 O ATOM 0 H GLU A 26 9.178 -10.575 -6.800 1.00 0.00 H new ATOM 0 HA GLU A 26 10.533 -12.118 -5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.019 -11.991 -8.055 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.294 -13.387 -7.033 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.577 -12.118 -7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.196 -13.488 -8.399 1.00 0.00 H new ATOM 415 N GLY A 27 12.703 -10.360 -6.866 1.00 0.00 N ATOM 416 CA GLY A 27 14.014 -9.728 -6.919 1.00 0.00 C ATOM 417 C GLY A 27 15.141 -10.584 -6.431 1.00 0.00 C ATOM 418 O GLY A 27 15.515 -11.580 -7.072 1.00 0.00 O ATOM 0 H GLY A 27 12.120 -10.139 -7.673 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.219 -9.433 -7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.986 -8.814 -6.325 1.00 0.00 H new ATOM 422 N ALA A 28 15.657 -10.214 -5.290 1.00 0.00 N ATOM 423 CA ALA A 28 16.744 -10.916 -4.683 1.00 0.00 C ATOM 424 C ALA A 28 16.237 -12.002 -3.747 1.00 0.00 C ATOM 425 O ALA A 28 16.381 -13.193 -4.026 1.00 0.00 O ATOM 426 CB ALA A 28 17.649 -9.950 -3.935 1.00 0.00 C ATOM 0 H ALA A 28 15.329 -9.410 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 28 17.322 -11.394 -5.474 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.471 -10.501 -3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.048 -9.212 -4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.077 -9.443 -3.158 1.00 0.00 H new ATOM 432 N THR A 29 15.666 -11.597 -2.638 1.00 0.00 N ATOM 433 CA THR A 29 15.188 -12.504 -1.617 1.00 0.00 C ATOM 434 C THR A 29 14.140 -11.728 -0.800 1.00 0.00 C ATOM 435 O THR A 29 13.931 -10.551 -1.067 1.00 0.00 O ATOM 436 CB THR A 29 16.383 -12.965 -0.680 1.00 0.00 C ATOM 437 OG1 THR A 29 17.587 -13.154 -1.464 1.00 0.00 O ATOM 438 CG2 THR A 29 16.072 -14.305 -0.010 1.00 0.00 C ATOM 0 H THR A 29 15.517 -10.613 -2.414 1.00 0.00 H new ATOM 0 HA THR A 29 14.758 -13.402 -2.061 1.00 0.00 H new ATOM 0 HB THR A 29 16.519 -12.188 0.073 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.319 -13.437 -0.877 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.908 -14.596 0.626 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.171 -14.208 0.596 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.915 -15.066 -0.774 1.00 0.00 H new ATOM 446 N GLU A 30 13.534 -12.393 0.174 1.00 0.00 N ATOM 447 CA GLU A 30 12.489 -11.880 1.088 1.00 0.00 C ATOM 448 C GLU A 30 12.741 -10.428 1.567 1.00 0.00 C ATOM 449 O GLU A 30 11.809 -9.622 1.643 1.00 0.00 O ATOM 450 CB GLU A 30 12.468 -12.842 2.277 1.00 0.00 C ATOM 451 CG GLU A 30 11.440 -12.581 3.359 1.00 0.00 C ATOM 452 CD GLU A 30 10.048 -12.856 2.888 1.00 0.00 C ATOM 453 OE1 GLU A 30 9.679 -14.035 2.766 1.00 0.00 O ATOM 454 OE2 GLU A 30 9.299 -11.907 2.627 1.00 0.00 O ATOM 0 H GLU A 30 13.764 -13.367 0.370 1.00 0.00 H new ATOM 0 HA GLU A 30 11.534 -11.837 0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.307 -13.850 1.894 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.455 -12.830 2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.659 -13.205 4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.514 -11.544 3.686 1.00 0.00 H new ATOM 461 N GLU A 31 13.988 -10.110 1.874 1.00 0.00 N ATOM 462 CA GLU A 31 14.372 -8.777 2.331 1.00 0.00 C ATOM 463 C GLU A 31 14.072 -7.705 1.276 1.00 0.00 C ATOM 464 O GLU A 31 13.719 -6.576 1.608 1.00 0.00 O ATOM 465 CB GLU A 31 15.856 -8.752 2.680 1.00 0.00 C ATOM 466 CG GLU A 31 16.772 -9.127 1.523 1.00 0.00 C ATOM 467 CD GLU A 31 18.213 -9.039 1.890 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.745 -10.008 2.451 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.837 -7.989 1.636 1.00 0.00 O ATOM 0 H GLU A 31 14.766 -10.767 1.815 1.00 0.00 H new ATOM 0 HA GLU A 31 13.780 -8.550 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 31 16.120 -7.754 3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 31 16.035 -9.437 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.544 -10.142 1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.574 -8.468 0.678 1.00 0.00 H new ATOM 476 N ASP A 32 14.172 -8.088 0.021 1.00 0.00 N ATOM 477 CA ASP A 32 13.998 -7.183 -1.097 1.00 0.00 C ATOM 478 C ASP A 32 12.516 -6.880 -1.278 1.00 0.00 C ATOM 479 O ASP A 32 12.134 -5.753 -1.615 1.00 0.00 O ATOM 480 CB ASP A 32 14.638 -7.792 -2.359 1.00 0.00 C ATOM 481 CG ASP A 32 14.669 -6.876 -3.560 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.875 -5.660 -3.403 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.575 -7.382 -4.694 1.00 0.00 O ATOM 0 H ASP A 32 14.379 -9.048 -0.256 1.00 0.00 H new ATOM 0 HA ASP A 32 14.502 -6.236 -0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.659 -8.092 -2.123 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.093 -8.698 -2.625 1.00 0.00 H new ATOM 488 N ASP A 33 11.684 -7.874 -0.995 1.00 0.00 N ATOM 489 CA ASP A 33 10.229 -7.691 -1.006 1.00 0.00 C ATOM 490 C ASP A 33 9.850 -6.809 0.150 1.00 0.00 C ATOM 491 O ASP A 33 9.198 -5.770 -0.004 1.00 0.00 O ATOM 492 CB ASP A 33 9.459 -9.010 -0.788 1.00 0.00 C ATOM 493 CG ASP A 33 9.714 -10.110 -1.776 1.00 0.00 C ATOM 494 OD1 ASP A 33 10.727 -10.800 -1.626 1.00 0.00 O ATOM 495 OD2 ASP A 33 8.828 -10.404 -2.623 1.00 0.00 O ATOM 0 H ASP A 33 11.987 -8.818 -0.754 1.00 0.00 H new ATOM 0 HA ASP A 33 9.973 -7.274 -1.980 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.699 -9.384 0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.392 -8.787 -0.795 1.00 0.00 H new ATOM 500 N ASN A 34 10.300 -7.215 1.318 1.00 0.00 N ATOM 501 CA ASN A 34 9.934 -6.593 2.549 1.00 0.00 C ATOM 502 C ASN A 34 10.435 -5.157 2.665 1.00 0.00 C ATOM 503 O ASN A 34 9.774 -4.330 3.271 1.00 0.00 O ATOM 504 CB ASN A 34 10.385 -7.445 3.727 1.00 0.00 C ATOM 505 CG ASN A 34 9.850 -6.950 5.050 1.00 0.00 C ATOM 506 OD1 ASN A 34 8.789 -6.343 5.124 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.551 -7.236 6.096 1.00 0.00 N ATOM 0 H ASN A 34 10.941 -8.001 1.429 1.00 0.00 H new ATOM 0 HA ASN A 34 8.846 -6.526 2.565 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.059 -8.473 3.571 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.474 -7.458 3.763 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.225 -6.955 7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.431 -7.743 5.997 1.00 0.00 H new ATOM 514 N LYS A 35 11.575 -4.824 2.055 1.00 0.00 N ATOM 515 CA LYS A 35 12.039 -3.442 2.127 1.00 0.00 C ATOM 516 C LYS A 35 11.112 -2.504 1.370 1.00 0.00 C ATOM 517 O LYS A 35 11.086 -1.291 1.635 1.00 0.00 O ATOM 518 CB LYS A 35 13.511 -3.239 1.734 1.00 0.00 C ATOM 519 CG LYS A 35 13.896 -3.559 0.309 1.00 0.00 C ATOM 520 CD LYS A 35 15.368 -3.232 0.102 1.00 0.00 C ATOM 521 CE LYS A 35 15.839 -3.551 -1.299 1.00 0.00 C ATOM 522 NZ LYS A 35 17.262 -3.210 -1.491 1.00 0.00 N ATOM 0 H LYS A 35 12.170 -5.463 1.528 1.00 0.00 H new ATOM 0 HA LYS A 35 11.999 -3.181 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.772 -2.199 1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.125 -3.851 2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.712 -4.612 0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.282 -2.983 -0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.534 -2.174 0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.966 -3.793 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.689 -4.612 -1.500 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.233 -3.002 -2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.547 -3.443 -2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.401 -2.193 -1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.843 -3.753 -0.821 1.00 0.00 H new ATOM 536 N LEU A 36 10.349 -3.053 0.431 1.00 0.00 N ATOM 537 CA LEU A 36 9.314 -2.279 -0.216 1.00 0.00 C ATOM 538 C LEU A 36 8.187 -2.093 0.767 1.00 0.00 C ATOM 539 O LEU A 36 7.778 -0.972 1.041 1.00 0.00 O ATOM 540 CB LEU A 36 8.773 -2.958 -1.481 1.00 0.00 C ATOM 541 CG LEU A 36 9.732 -3.118 -2.653 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.043 -3.854 -3.782 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.220 -1.761 -3.138 1.00 0.00 C ATOM 0 H LEU A 36 10.431 -4.017 0.109 1.00 0.00 H new ATOM 0 HA LEU A 36 9.743 -1.325 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.411 -3.948 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.910 -2.389 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 36 10.595 -3.695 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.733 -3.966 -4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.729 -4.839 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.170 -3.288 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.904 -1.898 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.368 -1.162 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.738 -1.249 -2.327 1.00 0.00 H new ATOM 555 N VAL A 37 7.732 -3.207 1.344 1.00 0.00 N ATOM 556 CA VAL A 37 6.626 -3.196 2.309 1.00 0.00 C ATOM 557 C VAL A 37 6.891 -2.190 3.429 1.00 0.00 C ATOM 558 O VAL A 37 6.068 -1.337 3.704 1.00 0.00 O ATOM 559 CB VAL A 37 6.389 -4.584 2.962 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.144 -4.537 3.829 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.270 -5.684 1.924 1.00 0.00 C ATOM 0 H VAL A 37 8.114 -4.135 1.159 1.00 0.00 H new ATOM 0 HA VAL A 37 5.739 -2.917 1.741 1.00 0.00 H new ATOM 0 HB VAL A 37 7.255 -4.816 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.981 -5.513 4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.273 -3.788 4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.282 -4.276 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.105 -6.639 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.431 -5.470 1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.189 -5.734 1.340 1.00 0.00 H new ATOM 571 N ARG A 38 8.072 -2.265 4.012 1.00 0.00 N ATOM 572 CA ARG A 38 8.441 -1.413 5.130 1.00 0.00 C ATOM 573 C ARG A 38 8.424 0.077 4.782 1.00 0.00 C ATOM 574 O ARG A 38 8.077 0.900 5.625 1.00 0.00 O ATOM 575 CB ARG A 38 9.793 -1.810 5.706 1.00 0.00 C ATOM 576 CG ARG A 38 9.835 -3.235 6.216 1.00 0.00 C ATOM 577 CD ARG A 38 11.155 -3.559 6.880 1.00 0.00 C ATOM 578 NE ARG A 38 12.314 -3.284 6.006 1.00 0.00 N ATOM 579 CZ ARG A 38 13.265 -4.173 5.654 1.00 0.00 C ATOM 580 NH1 ARG A 38 13.137 -5.462 5.964 1.00 0.00 N ATOM 581 NH2 ARG A 38 14.327 -3.768 4.963 1.00 0.00 N ATOM 0 H ARG A 38 8.803 -2.917 3.726 1.00 0.00 H new ATOM 0 HA ARG A 38 7.675 -1.569 5.890 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.557 -1.684 4.939 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.045 -1.132 6.522 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.024 -3.390 6.927 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.668 -3.922 5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.249 -2.976 7.796 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.164 -4.610 7.169 1.00 0.00 H new ATOM 0 HE ARG A 38 12.403 -2.338 5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.314 -5.785 6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.862 -6.126 5.693 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.421 -2.787 4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.048 -4.439 4.696 1.00 0.00 H new ATOM 595 N GLU A 39 8.762 0.439 3.542 1.00 0.00 N ATOM 596 CA GLU A 39 8.756 1.853 3.201 1.00 0.00 C ATOM 597 C GLU A 39 7.325 2.309 2.950 1.00 0.00 C ATOM 598 O GLU A 39 6.919 3.396 3.385 1.00 0.00 O ATOM 599 CB GLU A 39 9.658 2.205 1.992 1.00 0.00 C ATOM 600 CG GLU A 39 9.107 1.831 0.623 1.00 0.00 C ATOM 601 CD GLU A 39 9.868 2.469 -0.501 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.805 3.722 -0.647 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.521 1.749 -1.276 1.00 0.00 O ATOM 0 H GLU A 39 9.031 -0.198 2.792 1.00 0.00 H new ATOM 0 HA GLU A 39 9.179 2.386 4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.849 3.278 2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.620 1.709 2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.137 0.748 0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.060 2.129 0.563 1.00 0.00 H new ATOM 610 N PHE A 40 6.550 1.452 2.297 1.00 0.00 N ATOM 611 CA PHE A 40 5.182 1.758 1.979 1.00 0.00 C ATOM 612 C PHE A 40 4.332 1.792 3.222 1.00 0.00 C ATOM 613 O PHE A 40 3.476 2.642 3.352 1.00 0.00 O ATOM 614 CB PHE A 40 4.605 0.803 0.936 1.00 0.00 C ATOM 615 CG PHE A 40 5.152 0.990 -0.466 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.839 2.122 -1.201 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.957 0.029 -1.050 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.323 2.289 -2.485 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.440 0.187 -2.331 1.00 0.00 C ATOM 620 CZ PHE A 40 6.126 1.316 -3.052 1.00 0.00 C ATOM 0 H PHE A 40 6.860 0.534 1.979 1.00 0.00 H new ATOM 0 HA PHE A 40 5.170 2.753 1.535 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.800 -0.221 1.254 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.522 0.928 0.909 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.209 2.883 -0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.211 -0.860 -0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.074 3.178 -3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.066 -0.576 -2.769 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.505 1.442 -4.056 1.00 0.00 H new ATOM 630 N GLU A 41 4.618 0.912 4.156 1.00 0.00 N ATOM 631 CA GLU A 41 3.918 0.875 5.417 1.00 0.00 C ATOM 632 C GLU A 41 4.157 2.091 6.303 1.00 0.00 C ATOM 633 O GLU A 41 3.403 2.363 7.229 1.00 0.00 O ATOM 634 CB GLU A 41 4.086 -0.463 6.130 1.00 0.00 C ATOM 635 CG GLU A 41 3.073 -1.453 5.595 1.00 0.00 C ATOM 636 CD GLU A 41 1.728 -0.823 5.673 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.273 -0.575 6.804 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.116 -0.541 4.638 1.00 0.00 O ATOM 0 H GLU A 41 5.344 0.202 4.061 1.00 0.00 H new ATOM 0 HA GLU A 41 2.859 0.950 5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.096 -0.843 5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.952 -0.334 7.204 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.309 -1.721 4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.096 -2.374 6.177 1.00 0.00 H new ATOM 645 N ARG A 42 5.185 2.833 6.006 1.00 0.00 N ATOM 646 CA ARG A 42 5.428 4.098 6.689 1.00 0.00 C ATOM 647 C ARG A 42 4.656 5.203 5.994 1.00 0.00 C ATOM 648 O ARG A 42 4.309 6.214 6.599 1.00 0.00 O ATOM 649 CB ARG A 42 6.902 4.428 6.685 1.00 0.00 C ATOM 650 CG ARG A 42 7.762 3.535 7.549 1.00 0.00 C ATOM 651 CD ARG A 42 9.231 3.840 7.319 1.00 0.00 C ATOM 652 NE ARG A 42 9.513 5.278 7.423 1.00 0.00 N ATOM 653 CZ ARG A 42 10.521 5.907 6.813 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.484 5.204 6.216 1.00 0.00 N ATOM 655 NH2 ARG A 42 10.576 7.238 6.824 1.00 0.00 N ATOM 0 H ARG A 42 5.877 2.594 5.296 1.00 0.00 H new ATOM 0 HA ARG A 42 5.094 4.010 7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.267 4.376 5.659 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.028 5.459 7.016 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.512 3.684 8.600 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.560 2.489 7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.833 3.298 8.048 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.526 3.482 6.333 1.00 0.00 H new ATOM 0 HE ARG A 42 8.891 5.839 8.006 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.451 4.185 6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.253 5.686 5.750 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.849 7.775 7.298 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.345 7.721 6.359 1.00 0.00 H new ATOM 669 N LEU A 43 4.399 4.998 4.725 1.00 0.00 N ATOM 670 CA LEU A 43 3.649 5.944 3.931 1.00 0.00 C ATOM 671 C LEU A 43 2.178 5.796 4.256 1.00 0.00 C ATOM 672 O LEU A 43 1.460 6.775 4.421 1.00 0.00 O ATOM 673 CB LEU A 43 3.873 5.684 2.438 1.00 0.00 C ATOM 674 CG LEU A 43 5.308 5.760 1.941 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.364 5.357 0.488 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.860 7.170 2.116 1.00 0.00 C ATOM 0 H LEU A 43 4.704 4.171 4.212 1.00 0.00 H new ATOM 0 HA LEU A 43 3.985 6.955 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.483 4.694 2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.279 6.403 1.874 1.00 0.00 H new ATOM 0 HG LEU A 43 5.921 5.076 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.394 5.412 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.997 4.336 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.741 6.031 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.888 7.206 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.251 7.872 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.836 7.442 3.171 1.00 0.00 H new ATOM 688 N THR A 44 1.746 4.572 4.361 1.00 0.00 N ATOM 689 CA THR A 44 0.384 4.262 4.666 1.00 0.00 C ATOM 690 C THR A 44 0.093 4.553 6.116 1.00 0.00 C ATOM 691 O THR A 44 -0.931 5.205 6.438 1.00 0.00 O ATOM 692 CB THR A 44 0.116 2.778 4.399 1.00 0.00 C ATOM 693 OG1 THR A 44 1.038 2.013 5.143 1.00 0.00 O ATOM 694 CG2 THR A 44 0.285 2.456 2.944 1.00 0.00 C ATOM 0 H THR A 44 2.340 3.752 4.235 1.00 0.00 H new ATOM 0 HA THR A 44 -0.258 4.876 4.035 1.00 0.00 H new ATOM 0 HB THR A 44 -0.909 2.547 4.691 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.130 1.126 4.737 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.089 1.396 2.781 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.416 3.049 2.356 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.304 2.688 2.636 1.00 0.00 H new ATOM 702 N GLU A 45 1.033 4.091 6.984 1.00 0.00 N ATOM 703 CA GLU A 45 0.916 4.117 8.437 1.00 0.00 C ATOM 704 C GLU A 45 -0.218 3.169 8.797 1.00 0.00 C ATOM 705 O GLU A 45 -0.841 3.275 9.867 1.00 0.00 O ATOM 706 CB GLU A 45 0.617 5.528 8.938 1.00 0.00 C ATOM 707 CG GLU A 45 1.633 6.567 8.538 1.00 0.00 C ATOM 708 CD GLU A 45 1.165 7.951 8.863 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.453 8.554 8.035 1.00 0.00 O ATOM 710 OE2 GLU A 45 1.464 8.462 9.955 1.00 0.00 O ATOM 0 H GLU A 45 1.912 3.682 6.666 1.00 0.00 H new ATOM 0 HA GLU A 45 1.851 3.810 8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.360 5.832 8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.549 5.506 10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.575 6.371 9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.830 6.491 7.469 1.00 0.00 H new ATOM 717 N HIS A 46 -0.439 2.196 7.912 1.00 0.00 N ATOM 718 CA HIS A 46 -1.561 1.330 8.018 1.00 0.00 C ATOM 719 C HIS A 46 -1.306 0.207 9.055 1.00 0.00 C ATOM 720 O HIS A 46 -0.348 -0.522 8.979 1.00 0.00 O ATOM 721 CB HIS A 46 -2.008 0.782 6.627 1.00 0.00 C ATOM 722 CG HIS A 46 -3.346 0.112 6.691 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.538 -1.129 7.231 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.572 0.623 6.488 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.849 -1.306 7.392 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.521 -0.279 6.939 1.00 0.00 N ATOM 0 H HIS A 46 0.166 2.006 7.113 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.400 1.917 8.391 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.047 1.602 5.910 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.265 0.074 6.261 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.784 1.584 6.044 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.297 -2.182 7.838 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.535 -0.166 6.922 1.00 0.00 H new ATOM 734 N PRO A 47 -2.224 0.051 9.994 1.00 0.00 N ATOM 735 CA PRO A 47 -2.095 -0.861 11.143 1.00 0.00 C ATOM 736 C PRO A 47 -1.943 -2.292 10.797 1.00 0.00 C ATOM 737 O PRO A 47 -1.369 -3.068 11.549 1.00 0.00 O ATOM 738 CB PRO A 47 -3.410 -0.698 11.856 1.00 0.00 C ATOM 739 CG PRO A 47 -4.322 -0.006 10.932 1.00 0.00 C ATOM 740 CD PRO A 47 -3.483 0.766 10.021 1.00 0.00 C ATOM 0 HA PRO A 47 -1.197 -0.611 11.708 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.815 -1.668 12.142 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.282 -0.123 12.773 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.934 -0.721 10.383 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.005 0.646 11.477 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.927 0.826 9.027 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.351 1.789 10.373 1.00 0.00 H new ATOM 748 N ASP A 48 -2.489 -2.646 9.704 1.00 0.00 N ATOM 749 CA ASP A 48 -2.497 -3.990 9.295 1.00 0.00 C ATOM 750 C ASP A 48 -1.887 -4.055 7.957 1.00 0.00 C ATOM 751 O ASP A 48 -2.062 -5.003 7.252 1.00 0.00 O ATOM 752 CB ASP A 48 -3.917 -4.569 9.261 1.00 0.00 C ATOM 753 CG ASP A 48 -4.550 -4.625 10.618 1.00 0.00 C ATOM 754 OD1 ASP A 48 -4.283 -5.584 11.376 1.00 0.00 O ATOM 755 OD2 ASP A 48 -5.311 -3.714 10.962 1.00 0.00 O ATOM 0 H ASP A 48 -2.949 -2.003 9.059 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.932 -4.588 10.010 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.537 -3.963 8.600 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.886 -5.573 8.837 1.00 0.00 H new ATOM 760 N GLY A 49 -1.166 -3.004 7.623 1.00 0.00 N ATOM 761 CA GLY A 49 -0.560 -2.862 6.279 1.00 0.00 C ATOM 762 C GLY A 49 0.255 -4.020 5.846 1.00 0.00 C ATOM 763 O GLY A 49 0.014 -4.596 4.777 1.00 0.00 O ATOM 0 H GLY A 49 -0.975 -2.225 8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.355 -2.701 5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.066 -1.970 6.269 1.00 0.00 H new ATOM 767 N SER A 50 1.187 -4.388 6.647 1.00 0.00 N ATOM 768 CA SER A 50 1.994 -5.552 6.337 1.00 0.00 C ATOM 769 C SER A 50 1.110 -6.815 6.298 1.00 0.00 C ATOM 770 O SER A 50 1.213 -7.638 5.386 1.00 0.00 O ATOM 771 CB SER A 50 3.167 -5.680 7.310 1.00 0.00 C ATOM 772 OG SER A 50 2.733 -5.548 8.656 1.00 0.00 O ATOM 0 H SER A 50 1.423 -3.917 7.520 1.00 0.00 H new ATOM 0 HA SER A 50 2.430 -5.432 5.345 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.652 -6.647 7.174 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.912 -4.916 7.088 1.00 0.00 H new ATOM 0 HG SER A 50 3.502 -5.635 9.258 1.00 0.00 H new ATOM 778 N ASP A 51 0.161 -6.889 7.224 1.00 0.00 N ATOM 779 CA ASP A 51 -0.792 -8.002 7.299 1.00 0.00 C ATOM 780 C ASP A 51 -1.659 -8.079 6.046 1.00 0.00 C ATOM 781 O ASP A 51 -2.161 -9.108 5.726 1.00 0.00 O ATOM 782 CB ASP A 51 -1.713 -7.898 8.529 1.00 0.00 C ATOM 783 CG ASP A 51 -1.021 -8.102 9.855 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.433 -7.134 10.388 1.00 0.00 O ATOM 785 OD2 ASP A 51 -1.086 -9.223 10.416 1.00 0.00 O ATOM 0 H ASP A 51 0.026 -6.182 7.946 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.190 -8.906 7.385 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.187 -6.916 8.529 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.509 -8.636 8.433 1.00 0.00 H new ATOM 790 N LEU A 52 -1.821 -6.966 5.344 1.00 0.00 N ATOM 791 CA LEU A 52 -2.621 -6.921 4.115 1.00 0.00 C ATOM 792 C LEU A 52 -1.955 -7.699 3.027 1.00 0.00 C ATOM 793 O LEU A 52 -2.601 -8.415 2.274 1.00 0.00 O ATOM 794 CB LEU A 52 -2.818 -5.473 3.627 1.00 0.00 C ATOM 795 CG LEU A 52 -3.448 -4.515 4.616 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.664 -3.189 3.967 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.742 -5.063 5.175 1.00 0.00 C ATOM 0 H LEU A 52 -1.407 -6.071 5.603 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.592 -7.358 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.846 -5.074 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.436 -5.495 2.730 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.765 -4.391 5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.118 -2.503 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.707 -2.786 3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.325 -3.307 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.165 -4.348 5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.448 -5.231 4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.547 -6.006 5.686 1.00 0.00 H new ATOM 809 N ILE A 53 -0.666 -7.589 2.979 1.00 0.00 N ATOM 810 CA ILE A 53 0.115 -8.193 1.918 1.00 0.00 C ATOM 811 C ILE A 53 0.402 -9.637 2.252 1.00 0.00 C ATOM 812 O ILE A 53 0.467 -10.501 1.380 1.00 0.00 O ATOM 813 CB ILE A 53 1.440 -7.420 1.752 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.127 -5.944 1.482 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.306 -8.018 0.628 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.326 -5.050 1.500 1.00 0.00 C ATOM 0 H ILE A 53 -0.114 -7.080 3.669 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.447 -8.150 0.985 1.00 0.00 H new ATOM 0 HB ILE A 53 2.017 -7.505 2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.639 -5.859 0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.415 -5.593 2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.231 -7.449 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.540 -9.056 0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.761 -7.973 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.018 -4.024 1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.804 -5.102 2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.032 -5.372 0.734 1.00 0.00 H new ATOM 828 N TYR A 54 0.538 -9.889 3.507 1.00 0.00 N ATOM 829 CA TYR A 54 0.888 -11.187 3.973 1.00 0.00 C ATOM 830 C TYR A 54 -0.322 -12.066 4.332 1.00 0.00 C ATOM 831 O TYR A 54 -0.189 -13.282 4.429 1.00 0.00 O ATOM 832 CB TYR A 54 1.868 -11.059 5.137 1.00 0.00 C ATOM 833 CG TYR A 54 3.250 -10.561 4.722 1.00 0.00 C ATOM 834 CD1 TYR A 54 4.218 -11.446 4.290 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.575 -9.211 4.750 1.00 0.00 C ATOM 836 CE1 TYR A 54 5.468 -11.004 3.904 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.817 -8.757 4.361 1.00 0.00 C ATOM 838 CZ TYR A 54 5.764 -9.661 3.939 1.00 0.00 C ATOM 839 OH TYR A 54 7.015 -9.223 3.539 1.00 0.00 O ATOM 0 H TYR A 54 0.409 -9.196 4.245 1.00 0.00 H new ATOM 0 HA TYR A 54 1.371 -11.711 3.148 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.452 -10.376 5.877 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.972 -12.030 5.622 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.994 -12.502 4.253 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.836 -8.499 5.085 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.213 -11.713 3.575 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.044 -7.702 4.387 1.00 0.00 H new ATOM 0 HH TYR A 54 7.062 -8.248 3.623 1.00 0.00 H new ATOM 849 N TYR A 55 -1.487 -11.470 4.529 1.00 0.00 N ATOM 850 CA TYR A 55 -2.674 -12.210 4.915 1.00 0.00 C ATOM 851 C TYR A 55 -3.932 -11.559 4.323 1.00 0.00 C ATOM 852 O TYR A 55 -4.000 -10.329 4.126 1.00 0.00 O ATOM 853 CB TYR A 55 -2.860 -12.225 6.460 1.00 0.00 C ATOM 854 CG TYR A 55 -1.711 -12.780 7.271 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.545 -14.148 7.444 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.793 -11.929 7.869 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.498 -14.648 8.191 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.256 -12.419 8.615 1.00 0.00 C ATOM 859 CZ TYR A 55 0.399 -13.778 8.774 1.00 0.00 C ATOM 860 OH TYR A 55 1.450 -14.273 9.527 1.00 0.00 O ATOM 0 H TYR A 55 -1.635 -10.466 4.426 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.541 -13.225 4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.050 -11.204 6.791 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.753 -12.806 6.691 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.246 -14.831 6.987 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.903 -10.862 7.747 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.382 -15.714 8.318 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.962 -11.741 9.072 1.00 0.00 H new ATOM 0 HH TYR A 55 1.989 -13.528 9.866 1.00 0.00 H new ATOM 870 N PRO A 56 -4.921 -12.354 3.976 1.00 0.00 N ATOM 871 CA PRO A 56 -6.240 -11.846 3.654 1.00 0.00 C ATOM 872 C PRO A 56 -6.931 -11.445 4.968 1.00 0.00 C ATOM 873 O PRO A 56 -6.538 -11.913 6.036 1.00 0.00 O ATOM 874 CB PRO A 56 -6.943 -13.056 3.022 1.00 0.00 C ATOM 875 CG PRO A 56 -6.253 -14.238 3.617 1.00 0.00 C ATOM 876 CD PRO A 56 -4.825 -13.812 3.824 1.00 0.00 C ATOM 0 HA PRO A 56 -6.243 -10.977 2.996 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.009 -13.061 3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.851 -13.047 1.936 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.716 -14.528 4.560 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.312 -15.101 2.954 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.391 -14.280 4.707 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.197 -14.087 2.976 1.00 0.00 H new ATOM 884 N ARG A 57 -7.892 -10.562 4.926 1.00 0.00 N ATOM 885 CA ARG A 57 -8.583 -10.224 6.154 1.00 0.00 C ATOM 886 C ARG A 57 -9.945 -10.894 6.221 1.00 0.00 C ATOM 887 O ARG A 57 -10.032 -12.127 6.264 1.00 0.00 O ATOM 888 CB ARG A 57 -8.671 -8.711 6.400 1.00 0.00 C ATOM 889 CG ARG A 57 -7.328 -8.025 6.553 1.00 0.00 C ATOM 890 CD ARG A 57 -7.496 -6.571 6.949 1.00 0.00 C ATOM 891 NE ARG A 57 -8.128 -6.426 8.258 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.988 -5.445 8.592 1.00 0.00 C ATOM 893 NH1 ARG A 57 -9.367 -4.552 7.694 1.00 0.00 N ATOM 894 NH2 ARG A 57 -9.481 -5.381 9.815 1.00 0.00 N ATOM 0 H ARG A 57 -8.211 -10.075 4.089 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.978 -10.619 6.970 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.209 -8.251 5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.261 -8.535 7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.736 -8.544 7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.776 -8.088 5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.521 -6.085 6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.097 -6.059 6.198 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.901 -7.119 8.972 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.008 -4.603 6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.019 -3.812 7.954 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.211 -6.076 10.511 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.132 -4.636 10.064 1.00 0.00 H new ATOM 908 N ASP A 58 -10.992 -10.113 6.205 1.00 0.00 N ATOM 909 CA ASP A 58 -12.339 -10.655 6.241 1.00 0.00 C ATOM 910 C ASP A 58 -13.130 -10.254 5.029 1.00 0.00 C ATOM 911 O ASP A 58 -13.409 -11.063 4.159 1.00 0.00 O ATOM 912 CB ASP A 58 -13.093 -10.246 7.519 1.00 0.00 C ATOM 913 CG ASP A 58 -14.564 -10.666 7.507 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.870 -11.842 7.807 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.447 -9.824 7.194 1.00 0.00 O ATOM 0 H ASP A 58 -10.946 -9.095 6.167 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.232 -11.740 6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.601 -10.692 8.383 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.031 -9.165 7.640 1.00 0.00 H new ATOM 920 N ASP A 59 -13.448 -8.997 4.955 1.00 0.00 N ATOM 921 CA ASP A 59 -14.349 -8.499 3.932 1.00 0.00 C ATOM 922 C ASP A 59 -13.574 -7.896 2.781 1.00 0.00 C ATOM 923 O ASP A 59 -14.129 -7.621 1.714 1.00 0.00 O ATOM 924 CB ASP A 59 -15.300 -7.472 4.557 1.00 0.00 C ATOM 925 CG ASP A 59 -16.422 -7.037 3.642 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.420 -7.769 3.539 1.00 0.00 O ATOM 927 OD2 ASP A 59 -16.347 -5.940 3.051 1.00 0.00 O ATOM 0 H ASP A 59 -13.098 -8.282 5.593 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.934 -9.327 3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.729 -7.895 5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.726 -6.594 4.854 1.00 0.00 H new ATOM 932 N ARG A 60 -12.281 -7.717 2.999 1.00 0.00 N ATOM 933 CA ARG A 60 -11.415 -7.150 2.027 1.00 0.00 C ATOM 934 C ARG A 60 -11.260 -8.082 0.857 1.00 0.00 C ATOM 935 O ARG A 60 -11.339 -9.310 0.992 1.00 0.00 O ATOM 936 CB ARG A 60 -10.020 -6.938 2.609 1.00 0.00 C ATOM 937 CG ARG A 60 -9.154 -6.107 1.716 1.00 0.00 C ATOM 938 CD ARG A 60 -7.672 -6.217 2.015 1.00 0.00 C ATOM 939 NE ARG A 60 -7.105 -7.556 1.713 1.00 0.00 N ATOM 940 CZ ARG A 60 -6.154 -8.183 2.444 1.00 0.00 C ATOM 941 NH1 ARG A 60 -5.851 -7.750 3.660 1.00 0.00 N ATOM 942 NH2 ARG A 60 -5.529 -9.258 1.979 1.00 0.00 N ATOM 0 H ARG A 60 -11.817 -7.970 3.871 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.854 -6.202 1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.104 -6.455 3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.546 -7.906 2.773 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.328 -6.403 0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.455 -5.063 1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.136 -5.465 1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.504 -5.989 3.067 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.460 -8.042 0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.335 -6.941 4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.134 -8.226 4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.763 -9.625 1.056 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.815 -9.717 2.544 1.00 0.00 H new ATOM 956 N GLU A 61 -11.019 -7.515 -0.254 1.00 0.00 N ATOM 957 CA GLU A 61 -10.667 -8.245 -1.404 1.00 0.00 C ATOM 958 C GLU A 61 -9.181 -8.569 -1.286 1.00 0.00 C ATOM 959 O GLU A 61 -8.365 -7.700 -0.932 1.00 0.00 O ATOM 960 CB GLU A 61 -10.936 -7.419 -2.657 1.00 0.00 C ATOM 961 CG GLU A 61 -10.457 -8.079 -3.910 1.00 0.00 C ATOM 962 CD GLU A 61 -11.176 -9.366 -4.210 1.00 0.00 C ATOM 963 OE1 GLU A 61 -10.836 -10.414 -3.634 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.113 -9.354 -5.024 1.00 0.00 O ATOM 0 H GLU A 61 -11.061 -6.506 -0.396 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.257 -9.158 -1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.007 -7.232 -2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.450 -6.449 -2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.587 -7.393 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.389 -8.278 -3.823 1.00 0.00 H new ATOM 971 N ASP A 62 -8.819 -9.785 -1.517 1.00 0.00 N ATOM 972 CA ASP A 62 -7.432 -10.135 -1.442 1.00 0.00 C ATOM 973 C ASP A 62 -6.822 -10.066 -2.810 1.00 0.00 C ATOM 974 O ASP A 62 -6.709 -11.063 -3.527 1.00 0.00 O ATOM 975 CB ASP A 62 -7.192 -11.483 -0.773 1.00 0.00 C ATOM 976 CG ASP A 62 -5.718 -11.806 -0.657 1.00 0.00 C ATOM 977 OD1 ASP A 62 -4.989 -11.018 -0.024 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.267 -12.863 -1.177 1.00 0.00 O ATOM 0 H ASP A 62 -9.451 -10.549 -1.757 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.937 -9.407 -0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.641 -11.480 0.220 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.690 -12.265 -1.346 1.00 0.00 H new ATOM 983 N SER A 63 -6.565 -8.867 -3.213 1.00 0.00 N ATOM 984 CA SER A 63 -5.982 -8.587 -4.475 1.00 0.00 C ATOM 985 C SER A 63 -5.157 -7.333 -4.297 1.00 0.00 C ATOM 986 O SER A 63 -5.327 -6.646 -3.272 1.00 0.00 O ATOM 987 CB SER A 63 -7.108 -8.330 -5.497 1.00 0.00 C ATOM 988 OG SER A 63 -7.809 -7.126 -5.203 1.00 0.00 O ATOM 0 H SER A 63 -6.761 -8.035 -2.656 1.00 0.00 H new ATOM 0 HA SER A 63 -5.366 -9.413 -4.832 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.685 -8.271 -6.500 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.804 -9.169 -5.493 1.00 0.00 H new ATOM 0 HG SER A 63 -8.515 -6.988 -5.868 1.00 0.00 H new ATOM 994 N PRO A 64 -4.223 -7.029 -5.225 1.00 0.00 N ATOM 995 CA PRO A 64 -3.525 -5.742 -5.248 1.00 0.00 C ATOM 996 C PRO A 64 -4.524 -4.558 -5.069 1.00 0.00 C ATOM 997 O PRO A 64 -4.278 -3.638 -4.290 1.00 0.00 O ATOM 998 CB PRO A 64 -2.880 -5.744 -6.656 1.00 0.00 C ATOM 999 CG PRO A 64 -2.577 -7.178 -6.899 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.704 -7.952 -6.264 1.00 0.00 C ATOM 0 HA PRO A 64 -2.801 -5.617 -4.443 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.559 -5.345 -7.409 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.978 -5.133 -6.685 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.512 -7.388 -7.967 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.618 -7.454 -6.461 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.474 -8.209 -6.992 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.352 -8.887 -5.829 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.666 -4.641 -5.741 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.712 -3.619 -5.649 1.00 0.00 C ATOM 1010 C GLU A 65 -7.351 -3.570 -4.253 1.00 0.00 C ATOM 1011 O GLU A 65 -7.518 -2.495 -3.680 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.776 -3.870 -6.706 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.283 -3.680 -8.123 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.215 -4.249 -9.138 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.234 -3.617 -9.468 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -7.938 -5.357 -9.638 1.00 0.00 O ATOM 0 H GLU A 65 -5.897 -5.415 -6.364 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.244 -2.651 -5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.153 -4.887 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.616 -3.198 -6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.147 -2.616 -8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.305 -4.150 -8.229 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.679 -4.730 -3.710 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.317 -4.799 -2.403 1.00 0.00 C ATOM 1025 C GLY A 66 -7.413 -4.341 -1.275 1.00 0.00 C ATOM 1026 O GLY A 66 -7.877 -3.754 -0.295 1.00 0.00 O ATOM 0 H GLY A 66 -7.515 -5.635 -4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.217 -4.184 -2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.633 -5.825 -2.213 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.131 -4.611 -1.400 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.160 -4.171 -0.407 1.00 0.00 C ATOM 1032 C ILE A 67 -5.109 -2.641 -0.366 1.00 0.00 C ATOM 1033 O ILE A 67 -5.159 -2.035 0.703 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.768 -4.808 -0.673 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.864 -6.330 -0.424 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.677 -4.165 0.188 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.611 -7.115 -0.740 1.00 0.00 C ATOM 0 H ILE A 67 -5.731 -5.134 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.474 -4.514 0.579 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.483 -4.628 -1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.123 -6.495 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.684 -6.729 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.718 -4.637 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.616 -3.100 -0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.919 -4.299 1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.781 -8.171 -0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.358 -6.989 -1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.789 -6.752 -0.123 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.046 -2.040 -1.535 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.141 -0.596 -1.687 1.00 0.00 C ATOM 1051 C VAL A 68 -6.438 -0.085 -1.120 1.00 0.00 C ATOM 1052 O VAL A 68 -6.430 0.854 -0.357 1.00 0.00 O ATOM 1053 CB VAL A 68 -5.027 -0.160 -3.157 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.288 1.345 -3.331 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.662 -0.481 -3.640 1.00 0.00 C ATOM 0 H VAL A 68 -4.927 -2.540 -2.416 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.303 -0.168 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.782 -0.694 -3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.197 1.611 -4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.293 1.583 -2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.559 1.910 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.564 -0.178 -4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.928 0.052 -3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.490 -1.554 -3.557 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.538 -0.737 -1.476 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.876 -0.378 -1.011 1.00 0.00 C ATOM 1067 C LYS A 69 -8.908 -0.274 0.499 1.00 0.00 C ATOM 1068 O LYS A 69 -9.518 0.635 1.046 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.864 -1.430 -1.435 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.286 -0.958 -1.311 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.936 -0.838 -2.676 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.199 0.175 -3.546 1.00 0.00 C ATOM 1073 NZ LYS A 69 -11.824 0.342 -4.867 1.00 0.00 N ATOM 0 H LYS A 69 -7.528 -1.541 -2.104 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.137 0.586 -1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.667 -1.716 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.725 -2.323 -0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.853 -1.655 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.310 0.007 -0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.939 -1.811 -3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.977 -0.535 -2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.174 1.138 -3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.165 -0.145 -3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.286 1.040 -5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.826 -0.569 -5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.803 0.674 -4.749 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.232 -1.196 1.155 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.120 -1.200 2.593 1.00 0.00 C ATOM 1089 C GLU A 70 -7.471 0.119 3.060 1.00 0.00 C ATOM 1090 O GLU A 70 -8.041 0.848 3.861 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.264 -2.384 3.025 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.220 -2.616 4.515 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.532 -3.077 5.057 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.787 -4.303 5.077 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.339 -2.241 5.484 1.00 0.00 O ATOM 0 H GLU A 70 -7.743 -1.967 0.699 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.109 -1.288 3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.642 -3.285 2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.247 -2.231 2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.455 -3.358 4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.927 -1.693 5.015 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.316 0.437 2.479 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.538 1.652 2.820 1.00 0.00 C ATOM 1104 C ILE A 71 -6.376 2.896 2.532 1.00 0.00 C ATOM 1105 O ILE A 71 -6.432 3.862 3.312 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.291 1.815 1.889 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.531 0.510 1.624 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.352 2.886 2.410 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.959 -0.169 2.811 1.00 0.00 C ATOM 0 H ILE A 71 -5.882 -0.135 1.755 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.252 1.550 3.867 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.691 2.129 0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.207 -0.184 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.720 0.722 0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.496 2.975 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.878 3.840 2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.007 2.614 3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.446 -1.079 2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.250 0.496 3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.760 -0.424 3.505 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.966 2.850 1.387 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.679 3.890 0.775 1.00 0.00 C ATOM 1123 C LYS A 72 -8.956 4.231 1.557 1.00 0.00 C ATOM 1124 O LYS A 72 -9.172 5.391 1.915 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.855 3.424 -0.699 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.648 4.248 -1.655 1.00 0.00 C ATOM 1127 CD LYS A 72 -10.053 3.881 -1.528 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.918 4.675 -2.415 1.00 0.00 C ATOM 1129 NZ LYS A 72 -10.620 4.502 -3.848 1.00 0.00 N ATOM 0 H LYS A 72 -6.953 2.005 0.816 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.167 4.852 0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.857 3.307 -1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.308 2.433 -0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.513 5.309 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.304 4.080 -2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.172 2.823 -1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.371 4.019 -0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.957 4.401 -2.234 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.817 5.729 -2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.436 4.814 -4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.787 5.071 -4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.427 3.499 -4.044 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.749 3.238 1.881 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.975 3.477 2.631 1.00 0.00 C ATOM 1145 C GLU A 73 -10.696 3.802 4.092 1.00 0.00 C ATOM 1146 O GLU A 73 -11.429 4.558 4.706 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.918 2.287 2.511 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.462 2.091 1.109 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.350 3.229 0.676 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -12.852 4.250 0.195 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -14.591 3.105 0.816 1.00 0.00 O ATOM 0 H GLU A 73 -9.576 2.261 1.643 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.459 4.350 2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.392 1.383 2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.751 2.422 3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.632 1.995 0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.024 1.158 1.067 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.613 3.262 4.623 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.267 3.466 6.019 1.00 0.00 C ATOM 1160 C TRP A 74 -8.812 4.902 6.246 1.00 0.00 C ATOM 1161 O TRP A 74 -9.371 5.621 7.069 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.171 2.472 6.407 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.772 2.477 7.836 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.450 1.930 8.875 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.575 3.018 8.375 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.750 2.113 10.034 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.595 2.776 9.753 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.494 3.691 7.817 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.567 3.179 10.588 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.467 4.101 8.635 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.508 3.841 10.014 1.00 0.00 C ATOM 0 H TRP A 74 -8.956 2.677 4.107 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.141 3.295 6.647 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.508 1.469 6.147 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.288 2.679 5.802 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.402 1.425 8.798 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.045 1.803 10.960 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.461 3.889 6.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.596 2.981 11.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.623 4.627 8.213 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.689 4.168 10.638 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.861 5.348 5.455 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.291 6.671 5.631 1.00 0.00 C ATOM 1184 C ARG A 75 -8.282 7.785 5.381 1.00 0.00 C ATOM 1185 O ARG A 75 -8.275 8.798 6.093 1.00 0.00 O ATOM 1186 CB ARG A 75 -6.053 6.823 4.792 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.788 6.333 5.476 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.781 5.820 4.484 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.469 6.791 3.426 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.987 6.778 2.168 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -4.980 5.940 1.847 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.542 7.631 1.258 1.00 0.00 N ATOM 0 H ARG A 75 -7.464 4.815 4.681 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.012 6.762 6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.187 6.275 3.860 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.930 7.874 4.529 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.348 7.146 6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.039 5.541 6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.863 5.557 5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.161 4.905 4.029 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.810 7.536 3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.356 5.302 2.549 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.361 5.939 0.901 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.810 8.299 1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.931 7.620 0.315 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.157 7.589 4.431 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.166 8.589 4.114 1.00 0.00 C ATOM 1208 C ALA A 76 -11.247 8.650 5.189 1.00 0.00 C ATOM 1209 O ALA A 76 -11.944 9.657 5.326 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.782 8.303 2.766 1.00 0.00 C ATOM 0 H ALA A 76 -9.199 6.747 3.857 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.674 9.561 4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.535 9.059 2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.007 8.325 2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.250 7.319 2.781 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.358 7.588 5.974 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.369 7.505 6.999 1.00 0.00 C ATOM 1218 C ALA A 77 -11.867 8.219 8.214 1.00 0.00 C ATOM 1219 O ALA A 77 -12.613 8.875 8.939 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.678 6.052 7.330 1.00 0.00 C ATOM 0 H ALA A 77 -10.752 6.770 5.914 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.290 7.969 6.647 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.443 6.010 8.105 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.039 5.544 6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.773 5.560 7.686 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.583 8.090 8.413 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.908 8.658 9.533 1.00 0.00 C ATOM 1228 C ASN A 78 -9.653 10.148 9.329 1.00 0.00 C ATOM 1229 O ASN A 78 -9.727 10.937 10.276 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.576 7.959 9.729 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.633 6.458 9.953 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -9.702 5.944 10.507 1.00 0.00 O flip ATOM 1233 ND2 ASN A 78 -7.689 5.771 9.619 1.00 0.00 N flip ATOM 0 H ASN A 78 -9.969 7.574 7.783 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.542 8.527 10.410 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.956 8.151 8.853 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.073 8.414 10.582 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -6.871 6.203 9.190 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -7.714 4.762 9.768 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.356 10.526 8.099 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.029 11.909 7.802 1.00 0.00 C ATOM 1242 C GLY A 79 -7.534 12.077 7.596 1.00 0.00 C ATOM 1243 O GLY A 79 -6.968 13.149 7.824 1.00 0.00 O ATOM 0 H GLY A 79 -9.334 9.900 7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.562 12.229 6.907 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.363 12.550 8.618 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.909 11.010 7.151 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.491 10.952 6.911 1.00 0.00 C ATOM 1249 C LYS A 80 -5.217 11.504 5.511 1.00 0.00 C ATOM 1250 O LYS A 80 -6.159 11.808 4.767 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.082 9.481 6.936 1.00 0.00 C ATOM 1252 CG LYS A 80 -5.444 8.704 8.207 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.428 8.772 9.351 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.114 8.060 9.017 1.00 0.00 C ATOM 1255 NZ LYS A 80 -2.141 8.933 8.314 1.00 0.00 N ATOM 0 H LYS A 80 -7.390 10.135 6.941 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.942 11.525 7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.544 8.981 6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.003 9.422 6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.400 9.075 8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.590 7.657 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.221 9.816 9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.862 8.324 10.245 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.663 7.692 9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.327 7.190 8.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.186 8.762 8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.156 8.720 7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.398 9.930 8.463 1.00 0.00 H new ATOM 1269 N SER A 81 -3.960 11.624 5.157 1.00 0.00 N ATOM 1270 CA SER A 81 -3.558 12.032 3.855 1.00 0.00 C ATOM 1271 C SER A 81 -4.039 11.007 2.807 1.00 0.00 C ATOM 1272 O SER A 81 -4.196 9.818 3.122 1.00 0.00 O ATOM 1273 CB SER A 81 -2.055 12.142 3.877 1.00 0.00 C ATOM 1274 OG SER A 81 -1.644 12.988 4.954 1.00 0.00 O ATOM 0 H SER A 81 -3.181 11.434 5.787 1.00 0.00 H new ATOM 0 HA SER A 81 -3.998 12.991 3.581 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.611 11.153 3.990 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.697 12.545 2.930 1.00 0.00 H new ATOM 0 HG SER A 81 -0.666 13.054 4.964 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.283 11.458 1.596 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.835 10.586 0.586 1.00 0.00 C ATOM 1282 C GLY A 82 -3.843 10.253 -0.470 1.00 0.00 C ATOM 1283 O GLY A 82 -2.649 10.208 -0.199 1.00 0.00 O ATOM 0 H GLY A 82 -4.109 12.415 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.187 9.667 1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.702 11.064 0.130 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.328 9.946 -1.641 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.496 9.716 -2.767 1.00 0.00 C ATOM 1289 C PHE A 83 -3.597 10.926 -3.648 1.00 0.00 C ATOM 1290 O PHE A 83 -4.483 11.775 -3.443 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.968 8.490 -3.556 1.00 0.00 C ATOM 1292 CG PHE A 83 -4.063 7.228 -2.747 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.917 6.652 -2.242 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.290 6.615 -2.480 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.980 5.503 -1.498 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.340 5.470 -1.740 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.190 4.909 -1.247 1.00 0.00 C ATOM 0 H PHE A 83 -5.325 9.850 -1.832 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.472 9.536 -2.439 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.946 8.705 -3.987 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.283 8.323 -4.388 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.959 7.111 -2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.202 7.049 -2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.074 5.064 -1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.293 5.002 -1.541 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.237 4.002 -0.663 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.718 11.029 -4.588 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.788 12.074 -5.554 1.00 0.00 C ATOM 1309 C LYS A 84 -3.925 11.728 -6.489 1.00 0.00 C ATOM 1310 O LYS A 84 -4.034 10.593 -6.943 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.448 12.194 -6.282 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.343 13.305 -7.312 1.00 0.00 C ATOM 1313 CD LYS A 84 0.094 13.448 -7.826 1.00 0.00 C ATOM 1314 CE LYS A 84 0.567 12.247 -8.653 1.00 0.00 C ATOM 1315 NZ LYS A 84 -0.033 12.218 -10.008 1.00 0.00 N ATOM 0 H LYS A 84 -1.931 10.391 -4.708 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.978 13.045 -5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.665 12.341 -5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.241 11.246 -6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.012 13.095 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.670 14.246 -6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.166 14.350 -8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.764 13.582 -6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.653 12.276 -8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.314 11.326 -8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.355 11.253 -10.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.843 12.869 -10.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.678 12.511 -10.709 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.788 12.661 -6.726 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.974 12.385 -7.543 1.00 0.00 C ATOM 1331 C GLN A 85 -5.899 13.136 -8.852 1.00 0.00 C ATOM 1332 O GLN A 85 -6.885 13.290 -9.571 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.306 12.691 -6.791 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.625 14.176 -6.554 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.731 14.885 -5.560 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -6.284 14.193 -4.540 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -6.476 16.074 -5.698 1.00 0.00 N flip ATOM 0 H GLN A 85 -4.716 13.618 -6.380 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.980 11.315 -7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.127 12.250 -7.356 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.277 12.188 -5.824 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.564 14.699 -7.508 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.656 14.258 -6.211 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.840 16.583 -6.503 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.900 16.556 -5.008 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.725 13.544 -9.169 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.484 14.277 -10.356 1.00 0.00 C ATOM 1348 C GLY A 86 -3.229 13.788 -10.961 1.00 0.00 C ATOM 1349 O GLY A 86 -2.376 13.309 -10.218 1.00 0.00 O ATOM 1350 OXT GLY A 86 -3.062 13.851 -12.182 1.00 0.00 O ATOM 0 H GLY A 86 -3.893 13.376 -8.603 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.313 14.154 -11.052 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.409 15.342 -10.135 1.00 0.00 H new TER 1354 GLY A 86