USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 748 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 63 TYR OH : rot 0:sc= -1.18 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= -0.0266 USER MOD Set 2.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 58 THR OG1 : rot 68:sc= 0.533 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 151:sc= 0 (180deg=-1.12) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.296 K(o=-0.3,f=-0.85) USER MOD Single : A 17 LYS NZ :NH3+ -133:sc= 0.122 (180deg=0.00155) USER MOD Single : A 19 GLN : amide:sc= 0.189 X(o=0.19,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.1!) USER MOD Single : A 35 THR OG1 : rot -143:sc= -0.755 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0855 K(o=-0.086,f=-0.97) USER MOD Single : A 47 ASN : amide:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0258 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 178:sc= -1.74 (180deg=-1.86) USER MOD Single : A 62 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.68) USER MOD Single : A 66 SER OG : rot -51:sc= 0.451 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 80 MET CE :methyl 171:sc= -1.79 (180deg=-2.15) USER MOD Single : A 82 TYR OH : rot -17:sc= 0.25 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.206 K(o=-0.21,f=-0.9) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 49:sc= 0.98 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 15:sc= 0.448 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.050 22.591 2.531 1.00 0.00 N ATOM 2 CA GLY A 1 13.396 22.941 3.821 1.00 0.00 C ATOM 3 C GLY A 1 12.440 21.864 4.298 1.00 0.00 C ATOM 4 O GLY A 1 11.320 22.160 4.717 1.00 0.00 O ATOM 0 H1 GLY A 1 14.693 23.358 2.248 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.591 21.710 2.644 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.324 22.460 1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.161 23.105 4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.853 23.879 3.707 1.00 0.00 H new ATOM 10 N SER A 2 12.882 20.612 4.234 1.00 0.00 N ATOM 11 CA SER A 2 12.059 19.487 4.662 1.00 0.00 C ATOM 12 C SER A 2 10.774 19.411 3.844 1.00 0.00 C ATOM 13 O SER A 2 9.854 20.206 4.040 1.00 0.00 O ATOM 14 CB SER A 2 11.725 19.610 6.150 1.00 0.00 C ATOM 15 OG SER A 2 12.615 18.840 6.939 1.00 0.00 O ATOM 0 H SER A 2 13.806 20.351 3.890 1.00 0.00 H new ATOM 0 HA SER A 2 12.626 18.571 4.499 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.778 20.656 6.452 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.701 19.280 6.324 1.00 0.00 H new ATOM 0 HG SER A 2 12.381 18.937 7.886 1.00 0.00 H new ATOM 21 N SER A 3 10.718 18.451 2.928 1.00 0.00 N ATOM 22 CA SER A 3 9.545 18.270 2.081 1.00 0.00 C ATOM 23 C SER A 3 8.784 17.006 2.467 1.00 0.00 C ATOM 24 O SER A 3 9.072 16.384 3.489 1.00 0.00 O ATOM 25 CB SER A 3 9.960 18.200 0.609 1.00 0.00 C ATOM 26 OG SER A 3 8.940 18.708 -0.233 1.00 0.00 O ATOM 0 H SER A 3 11.471 17.786 2.753 1.00 0.00 H new ATOM 0 HA SER A 3 8.887 19.127 2.227 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.877 18.770 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.179 17.167 0.338 1.00 0.00 H new ATOM 0 HG SER A 3 9.230 18.654 -1.168 1.00 0.00 H new ATOM 32 N GLY A 4 7.811 16.631 1.642 1.00 0.00 N ATOM 33 CA GLY A 4 7.024 15.444 1.915 1.00 0.00 C ATOM 34 C GLY A 4 6.453 14.823 0.655 1.00 0.00 C ATOM 35 O GLY A 4 5.344 15.155 0.239 1.00 0.00 O ATOM 0 H GLY A 4 7.554 17.129 0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.645 14.710 2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.209 15.700 2.591 1.00 0.00 H new ATOM 39 N SER A 5 7.216 13.922 0.045 1.00 0.00 N ATOM 40 CA SER A 5 6.781 13.253 -1.176 1.00 0.00 C ATOM 41 C SER A 5 6.338 11.823 -0.885 1.00 0.00 C ATOM 42 O SER A 5 5.158 11.491 -1.006 1.00 0.00 O ATOM 43 CB SER A 5 7.907 13.251 -2.210 1.00 0.00 C ATOM 44 OG SER A 5 7.438 12.817 -3.475 1.00 0.00 O ATOM 0 H SER A 5 8.138 13.638 0.376 1.00 0.00 H new ATOM 0 HA SER A 5 5.930 13.802 -1.578 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.325 14.254 -2.298 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.712 12.598 -1.874 1.00 0.00 H new ATOM 0 HG SER A 5 8.177 12.826 -4.119 1.00 0.00 H new ATOM 50 N SER A 6 7.292 10.980 -0.502 1.00 0.00 N ATOM 51 CA SER A 6 7.000 9.586 -0.193 1.00 0.00 C ATOM 52 C SER A 6 6.436 9.447 1.217 1.00 0.00 C ATOM 53 O SER A 6 6.729 10.257 2.097 1.00 0.00 O ATOM 54 CB SER A 6 8.263 8.736 -0.336 1.00 0.00 C ATOM 55 OG SER A 6 8.978 9.075 -1.511 1.00 0.00 O ATOM 0 H SER A 6 8.273 11.239 -0.398 1.00 0.00 H new ATOM 0 HA SER A 6 6.250 9.232 -0.900 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.902 8.879 0.536 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.993 7.680 -0.363 1.00 0.00 H new ATOM 0 HG SER A 6 9.782 8.518 -1.577 1.00 0.00 H new ATOM 61 N GLY A 7 5.626 8.414 1.426 1.00 0.00 N ATOM 62 CA GLY A 7 5.034 8.188 2.731 1.00 0.00 C ATOM 63 C GLY A 7 3.642 8.778 2.848 1.00 0.00 C ATOM 64 O GLY A 7 3.312 9.413 3.849 1.00 0.00 O ATOM 0 H GLY A 7 5.369 7.730 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.988 7.116 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.675 8.623 3.497 1.00 0.00 H new ATOM 68 N ASP A 8 2.824 8.567 1.822 1.00 0.00 N ATOM 69 CA ASP A 8 1.460 9.084 1.814 1.00 0.00 C ATOM 70 C ASP A 8 0.466 7.999 2.222 1.00 0.00 C ATOM 71 O ASP A 8 -0.609 7.876 1.635 1.00 0.00 O ATOM 72 CB ASP A 8 1.105 9.628 0.428 1.00 0.00 C ATOM 73 CG ASP A 8 0.447 10.993 0.494 1.00 0.00 C ATOM 74 OD1 ASP A 8 -0.783 11.049 0.705 1.00 0.00 O ATOM 75 OD2 ASP A 8 1.162 12.004 0.336 1.00 0.00 O ATOM 0 H ASP A 8 3.081 8.042 0.986 1.00 0.00 H new ATOM 0 HA ASP A 8 1.400 9.896 2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.010 9.693 -0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.436 8.929 -0.073 1.00 0.00 H new ATOM 80 N MET A 9 0.835 7.218 3.230 1.00 0.00 N ATOM 81 CA MET A 9 -0.023 6.144 3.718 1.00 0.00 C ATOM 82 C MET A 9 -0.936 6.642 4.835 1.00 0.00 C ATOM 83 O MET A 9 -2.015 6.093 5.058 1.00 0.00 O ATOM 84 CB MET A 9 0.826 4.972 4.217 1.00 0.00 C ATOM 85 CG MET A 9 1.023 3.879 3.179 1.00 0.00 C ATOM 86 SD MET A 9 -0.450 2.864 2.953 1.00 0.00 S ATOM 87 CE MET A 9 -0.040 2.005 1.436 1.00 0.00 C ATOM 0 H MET A 9 1.722 7.308 3.726 1.00 0.00 H new ATOM 0 HA MET A 9 -0.646 5.804 2.891 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.801 5.347 4.528 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.354 4.542 5.100 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.297 4.333 2.226 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.855 3.243 3.480 1.00 0.00 H new ATOM 0 HE1 MET A 9 -0.533 1.033 1.424 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.377 2.593 0.582 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.039 1.866 1.377 1.00 0.00 H new ATOM 97 N LYS A 10 -0.496 7.683 5.536 1.00 0.00 N ATOM 98 CA LYS A 10 -1.274 8.253 6.630 1.00 0.00 C ATOM 99 C LYS A 10 -2.652 8.697 6.147 1.00 0.00 C ATOM 100 O LYS A 10 -3.644 8.562 6.862 1.00 0.00 O ATOM 101 CB LYS A 10 -0.533 9.441 7.246 1.00 0.00 C ATOM 102 CG LYS A 10 0.936 9.165 7.522 1.00 0.00 C ATOM 103 CD LYS A 10 1.419 9.897 8.766 1.00 0.00 C ATOM 104 CE LYS A 10 2.684 10.694 8.490 1.00 0.00 C ATOM 105 NZ LYS A 10 3.904 9.981 8.961 1.00 0.00 N ATOM 0 H LYS A 10 0.395 8.149 5.365 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.405 7.481 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.614 10.296 6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.023 9.720 8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.088 8.093 7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.532 9.473 6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.636 10.567 9.122 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.608 9.177 9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.766 10.886 7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.617 11.664 8.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.745 10.557 8.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.838 9.820 9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.982 9.067 8.472 1.00 0.00 H new ATOM 119 N GLN A 11 -2.705 9.226 4.928 1.00 0.00 N ATOM 120 CA GLN A 11 -3.962 9.689 4.351 1.00 0.00 C ATOM 121 C GLN A 11 -4.966 8.546 4.247 1.00 0.00 C ATOM 122 O GLN A 11 -6.176 8.759 4.331 1.00 0.00 O ATOM 123 CB GLN A 11 -3.720 10.300 2.971 1.00 0.00 C ATOM 124 CG GLN A 11 -2.988 9.372 2.015 1.00 0.00 C ATOM 125 CD GLN A 11 -3.518 9.460 0.596 1.00 0.00 C ATOM 126 OE1 GLN A 11 -4.727 9.448 0.372 1.00 0.00 O ATOM 127 NE2 GLN A 11 -2.611 9.548 -0.370 1.00 0.00 N ATOM 0 H GLN A 11 -1.893 9.344 4.322 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.376 10.453 5.010 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.679 10.577 2.532 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.144 11.218 3.085 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.926 9.617 2.018 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.079 8.345 2.370 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.618 9.555 -0.138 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.908 9.609 -1.344 1.00 0.00 H new ATOM 136 N LEU A 12 -4.458 7.331 4.063 1.00 0.00 N ATOM 137 CA LEU A 12 -5.312 6.155 3.948 1.00 0.00 C ATOM 138 C LEU A 12 -5.916 5.788 5.299 1.00 0.00 C ATOM 139 O LEU A 12 -5.222 5.761 6.315 1.00 0.00 O ATOM 140 CB LEU A 12 -4.514 4.972 3.394 1.00 0.00 C ATOM 141 CG LEU A 12 -4.578 4.804 1.874 1.00 0.00 C ATOM 142 CD1 LEU A 12 -3.410 3.963 1.380 1.00 0.00 C ATOM 143 CD2 LEU A 12 -5.901 4.175 1.465 1.00 0.00 C ATOM 0 H LEU A 12 -3.459 7.136 3.990 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.123 6.391 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.471 5.087 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.878 4.057 3.861 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.508 5.790 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.472 3.854 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.472 4.453 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.448 2.978 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.931 4.062 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.999 3.196 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.723 4.815 1.786 1.00 0.00 H new ATOM 155 N ALA A 13 -7.215 5.506 5.304 1.00 0.00 N ATOM 156 CA ALA A 13 -7.914 5.142 6.531 1.00 0.00 C ATOM 157 C ALA A 13 -7.502 3.752 7.004 1.00 0.00 C ATOM 158 O ALA A 13 -7.105 2.905 6.204 1.00 0.00 O ATOM 159 CB ALA A 13 -9.418 5.205 6.320 1.00 0.00 C ATOM 0 H ALA A 13 -7.805 5.523 4.472 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.637 5.858 7.305 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.927 4.931 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.703 6.218 6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.704 4.512 5.529 1.00 0.00 H new ATOM 165 N GLU A 14 -7.599 3.524 8.310 1.00 0.00 N ATOM 166 CA GLU A 14 -7.237 2.237 8.891 1.00 0.00 C ATOM 167 C GLU A 14 -8.163 1.133 8.388 1.00 0.00 C ATOM 168 O GLU A 14 -7.752 -0.018 8.245 1.00 0.00 O ATOM 169 CB GLU A 14 -7.292 2.308 10.418 1.00 0.00 C ATOM 170 CG GLU A 14 -6.290 1.394 11.106 1.00 0.00 C ATOM 171 CD GLU A 14 -6.082 1.751 12.565 1.00 0.00 C ATOM 172 OE1 GLU A 14 -5.634 2.884 12.841 1.00 0.00 O ATOM 173 OE2 GLU A 14 -6.369 0.898 13.430 1.00 0.00 O ATOM 0 H GLU A 14 -7.926 4.215 8.986 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.218 2.002 8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.110 3.336 10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.297 2.047 10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.635 0.363 11.034 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.335 1.448 10.583 1.00 0.00 H new ATOM 180 N ASP A 15 -9.413 1.494 8.119 1.00 0.00 N ATOM 181 CA ASP A 15 -10.397 0.534 7.632 1.00 0.00 C ATOM 182 C ASP A 15 -10.050 0.066 6.222 1.00 0.00 C ATOM 183 O ASP A 15 -10.339 -1.069 5.846 1.00 0.00 O ATOM 184 CB ASP A 15 -11.796 1.153 7.645 1.00 0.00 C ATOM 185 CG ASP A 15 -12.313 1.383 9.052 1.00 0.00 C ATOM 186 OD1 ASP A 15 -11.551 1.916 9.885 1.00 0.00 O ATOM 187 OD2 ASP A 15 -13.480 1.029 9.321 1.00 0.00 O ATOM 0 H ASP A 15 -9.769 2.444 8.230 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.383 -0.330 8.297 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.776 2.102 7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.485 0.499 7.110 1.00 0.00 H new ATOM 192 N VAL A 16 -9.430 0.950 5.447 1.00 0.00 N ATOM 193 CA VAL A 16 -9.044 0.627 4.079 1.00 0.00 C ATOM 194 C VAL A 16 -7.963 -0.449 4.052 1.00 0.00 C ATOM 195 O VAL A 16 -8.055 -1.417 3.299 1.00 0.00 O ATOM 196 CB VAL A 16 -8.531 1.872 3.329 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.290 1.552 1.862 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.513 3.027 3.475 1.00 0.00 C ATOM 0 H VAL A 16 -9.184 1.895 5.743 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.938 0.254 3.579 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.582 2.173 3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.928 2.444 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.546 0.759 1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.223 1.223 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.134 3.897 2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.479 2.738 3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.630 3.274 4.530 1.00 0.00 H new ATOM 208 N LYS A 17 -6.939 -0.272 4.882 1.00 0.00 N ATOM 209 CA LYS A 17 -5.840 -1.228 4.953 1.00 0.00 C ATOM 210 C LYS A 17 -6.279 -2.515 5.644 1.00 0.00 C ATOM 211 O LYS A 17 -5.763 -3.594 5.354 1.00 0.00 O ATOM 212 CB LYS A 17 -4.653 -0.616 5.700 1.00 0.00 C ATOM 213 CG LYS A 17 -4.079 0.620 5.023 1.00 0.00 C ATOM 214 CD LYS A 17 -4.112 1.829 5.944 1.00 0.00 C ATOM 215 CE LYS A 17 -2.849 2.665 5.811 1.00 0.00 C ATOM 216 NZ LYS A 17 -2.687 3.612 6.950 1.00 0.00 N ATOM 0 H LYS A 17 -6.848 0.524 5.514 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.537 -1.470 3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.966 -0.354 6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.868 -1.366 5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.052 0.424 4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.646 0.836 4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.982 2.442 5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.224 1.498 6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.982 2.007 5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.880 3.224 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.448 4.556 6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.576 3.664 7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.924 3.278 7.573 1.00 0.00 H new ATOM 230 N LEU A 18 -7.237 -2.394 6.559 1.00 0.00 N ATOM 231 CA LEU A 18 -7.747 -3.548 7.291 1.00 0.00 C ATOM 232 C LEU A 18 -8.320 -4.590 6.336 1.00 0.00 C ATOM 233 O LEU A 18 -8.069 -5.786 6.484 1.00 0.00 O ATOM 234 CB LEU A 18 -8.819 -3.111 8.291 1.00 0.00 C ATOM 235 CG LEU A 18 -8.292 -2.695 9.665 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.440 -2.286 10.575 1.00 0.00 C ATOM 237 CD2 LEU A 18 -7.489 -3.825 10.292 1.00 0.00 C ATOM 0 H LEU A 18 -7.675 -1.508 6.811 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.916 -3.998 7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.374 -2.276 7.864 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.526 -3.930 8.423 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.634 -1.836 9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.046 -1.993 11.548 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.974 -1.445 10.132 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.124 -3.126 10.698 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.122 -3.512 11.269 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.125 -4.703 10.408 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.644 -4.071 9.649 1.00 0.00 H new ATOM 249 N GLN A 19 -9.090 -4.128 5.357 1.00 0.00 N ATOM 250 CA GLN A 19 -9.699 -5.021 4.378 1.00 0.00 C ATOM 251 C GLN A 19 -8.635 -5.698 3.521 1.00 0.00 C ATOM 252 O GLN A 19 -8.784 -6.855 3.128 1.00 0.00 O ATOM 253 CB GLN A 19 -10.673 -4.247 3.487 1.00 0.00 C ATOM 254 CG GLN A 19 -11.764 -3.527 4.262 1.00 0.00 C ATOM 255 CD GLN A 19 -12.605 -2.623 3.382 1.00 0.00 C ATOM 256 OE1 GLN A 19 -13.342 -3.090 2.515 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.496 -1.317 3.601 1.00 0.00 N ATOM 0 H GLN A 19 -9.307 -3.141 5.220 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.247 -5.792 4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.115 -3.518 2.900 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.135 -4.938 2.782 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.409 -4.263 4.742 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.310 -2.934 5.056 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.872 -0.973 4.331 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.036 -0.659 3.039 1.00 0.00 H new ATOM 266 N LEU A 20 -7.561 -4.968 3.235 1.00 0.00 N ATOM 267 CA LEU A 20 -6.471 -5.498 2.423 1.00 0.00 C ATOM 268 C LEU A 20 -5.870 -6.745 3.065 1.00 0.00 C ATOM 269 O LEU A 20 -5.377 -7.636 2.372 1.00 0.00 O ATOM 270 CB LEU A 20 -5.386 -4.436 2.232 1.00 0.00 C ATOM 271 CG LEU A 20 -5.658 -3.426 1.117 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.728 -2.229 1.242 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.504 -4.084 -0.246 1.00 0.00 C ATOM 0 H LEU A 20 -7.422 -4.009 3.553 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.877 -5.772 1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.260 -3.894 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.441 -4.937 2.024 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.685 -3.073 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.936 -1.521 0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.887 -1.744 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.693 -2.563 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.701 -3.351 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.488 -4.465 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.212 -4.908 -0.334 1.00 0.00 H new ATOM 285 N TYR A 21 -5.914 -6.802 4.393 1.00 0.00 N ATOM 286 CA TYR A 21 -5.373 -7.940 5.127 1.00 0.00 C ATOM 287 C TYR A 21 -6.142 -9.216 4.797 1.00 0.00 C ATOM 288 O TYR A 21 -5.558 -10.296 4.703 1.00 0.00 O ATOM 289 CB TYR A 21 -5.428 -7.673 6.632 1.00 0.00 C ATOM 290 CG TYR A 21 -4.557 -6.520 7.076 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.274 -6.359 6.568 1.00 0.00 C ATOM 292 CD2 TYR A 21 -5.018 -5.591 8.001 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.474 -5.305 6.971 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.225 -4.535 8.407 1.00 0.00 C ATOM 295 CZ TYR A 21 -2.955 -4.397 7.889 1.00 0.00 C ATOM 296 OH TYR A 21 -2.163 -3.346 8.292 1.00 0.00 O ATOM 0 H TYR A 21 -6.318 -6.074 4.982 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.334 -8.075 4.826 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.460 -7.469 6.919 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.122 -8.574 7.163 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.895 -7.068 5.847 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.012 -5.696 8.409 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.478 -5.194 6.568 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.598 -3.821 9.127 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.652 -2.798 8.941 1.00 0.00 H new ATOM 306 N LYS A 22 -7.453 -9.084 4.622 1.00 0.00 N ATOM 307 CA LYS A 22 -8.299 -10.227 4.302 1.00 0.00 C ATOM 308 C LYS A 22 -8.054 -10.707 2.874 1.00 0.00 C ATOM 309 O LYS A 22 -7.998 -11.909 2.614 1.00 0.00 O ATOM 310 CB LYS A 22 -9.774 -9.863 4.483 1.00 0.00 C ATOM 311 CG LYS A 22 -10.139 -9.490 5.910 1.00 0.00 C ATOM 312 CD LYS A 22 -11.516 -8.850 5.985 1.00 0.00 C ATOM 313 CE LYS A 22 -12.049 -8.838 7.408 1.00 0.00 C ATOM 314 NZ LYS A 22 -11.363 -7.821 8.253 1.00 0.00 N ATOM 0 H LYS A 22 -7.952 -8.197 4.696 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.044 -11.037 4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.017 -9.029 3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.389 -10.706 4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.117 -10.381 6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.394 -8.801 6.309 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.465 -7.829 5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.207 -9.395 5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.120 -8.634 7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.919 -9.825 7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.757 -7.846 9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.345 -8.030 8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.508 -6.876 7.845 1.00 0.00 H new ATOM 328 N LEU A 23 -7.906 -9.760 1.955 1.00 0.00 N ATOM 329 CA LEU A 23 -7.666 -10.085 0.553 1.00 0.00 C ATOM 330 C LEU A 23 -6.381 -10.892 0.394 1.00 0.00 C ATOM 331 O LEU A 23 -6.379 -11.960 -0.219 1.00 0.00 O ATOM 332 CB LEU A 23 -7.585 -8.807 -0.283 1.00 0.00 C ATOM 333 CG LEU A 23 -8.887 -8.008 -0.373 1.00 0.00 C ATOM 334 CD1 LEU A 23 -8.598 -6.515 -0.398 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.679 -8.419 -1.605 1.00 0.00 C ATOM 0 H LEU A 23 -7.948 -8.761 2.155 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.501 -10.690 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.811 -8.165 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.268 -9.071 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.486 -8.226 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.536 -5.964 -0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.072 -6.231 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.978 -6.279 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.602 -7.841 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.085 -8.230 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.918 -9.481 -1.546 1.00 0.00 H new ATOM 347 N LEU A 24 -5.290 -10.376 0.952 1.00 0.00 N ATOM 348 CA LEU A 24 -4.000 -11.050 0.872 1.00 0.00 C ATOM 349 C LEU A 24 -4.030 -12.382 1.616 1.00 0.00 C ATOM 350 O LEU A 24 -3.277 -13.301 1.293 1.00 0.00 O ATOM 351 CB LEU A 24 -2.899 -10.157 1.448 1.00 0.00 C ATOM 352 CG LEU A 24 -2.851 -8.739 0.879 1.00 0.00 C ATOM 353 CD1 LEU A 24 -2.034 -7.828 1.782 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.277 -8.749 -0.530 1.00 0.00 C ATOM 0 H LEU A 24 -5.274 -9.494 1.464 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.788 -11.248 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.031 -10.094 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.935 -10.635 1.272 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.869 -8.353 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.011 -6.823 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.488 -7.796 2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.017 -8.211 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.250 -7.731 -0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.266 -9.156 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.903 -9.367 -1.173 1.00 0.00 H new ATOM 366 N GLU A 25 -4.903 -12.480 2.614 1.00 0.00 N ATOM 367 CA GLU A 25 -5.031 -13.699 3.404 1.00 0.00 C ATOM 368 C GLU A 25 -5.327 -14.904 2.513 1.00 0.00 C ATOM 369 O GLU A 25 -4.992 -16.038 2.856 1.00 0.00 O ATOM 370 CB GLU A 25 -6.135 -13.541 4.451 1.00 0.00 C ATOM 371 CG GLU A 25 -5.780 -14.130 5.806 1.00 0.00 C ATOM 372 CD GLU A 25 -6.195 -15.583 5.936 1.00 0.00 C ATOM 373 OE1 GLU A 25 -5.426 -16.462 5.496 1.00 0.00 O ATOM 374 OE2 GLU A 25 -7.291 -15.839 6.479 1.00 0.00 O ATOM 0 H GLU A 25 -5.533 -11.728 2.895 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.081 -13.872 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.359 -12.481 4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.043 -14.019 4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.705 -14.047 5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.263 -13.546 6.590 1.00 0.00 H new ATOM 381 N ILE A 26 -5.956 -14.651 1.370 1.00 0.00 N ATOM 382 CA ILE A 26 -6.295 -15.716 0.433 1.00 0.00 C ATOM 383 C ILE A 26 -5.035 -16.371 -0.130 1.00 0.00 C ATOM 384 O ILE A 26 -4.220 -15.711 -0.774 1.00 0.00 O ATOM 385 CB ILE A 26 -7.152 -15.187 -0.735 1.00 0.00 C ATOM 386 CG1 ILE A 26 -8.354 -14.404 -0.203 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.612 -16.337 -1.620 1.00 0.00 C ATOM 388 CD1 ILE A 26 -9.252 -13.861 -1.293 1.00 0.00 C ATOM 0 H ILE A 26 -6.241 -13.719 1.070 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.871 -16.456 0.988 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.541 -14.514 -1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.939 -15.052 0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.996 -13.575 0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.216 -15.947 -2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.743 -16.855 -2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.208 -17.034 -1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.083 -13.318 -0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.682 -13.187 -1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.640 -14.687 -1.890 1.00 0.00 H new ATOM 400 N PRO A 27 -4.853 -17.685 0.105 1.00 0.00 N ATOM 401 CA PRO A 27 -3.681 -18.417 -0.385 1.00 0.00 C ATOM 402 C PRO A 27 -3.739 -18.668 -1.888 1.00 0.00 C ATOM 403 O PRO A 27 -3.799 -19.813 -2.336 1.00 0.00 O ATOM 404 CB PRO A 27 -3.747 -19.739 0.381 1.00 0.00 C ATOM 405 CG PRO A 27 -5.196 -19.934 0.668 1.00 0.00 C ATOM 406 CD PRO A 27 -5.770 -18.557 0.866 1.00 0.00 C ATOM 0 HA PRO A 27 -2.757 -17.861 -0.227 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.346 -20.561 -0.212 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.163 -19.694 1.300 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.691 -20.448 -0.156 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.338 -20.547 1.558 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.791 -18.490 0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.800 -18.283 1.921 1.00 0.00 H new ATOM 414 N ASP A 28 -3.718 -17.589 -2.665 1.00 0.00 N ATOM 415 CA ASP A 28 -3.766 -17.693 -4.120 1.00 0.00 C ATOM 416 C ASP A 28 -2.475 -17.166 -4.745 1.00 0.00 C ATOM 417 O ASP A 28 -1.902 -16.187 -4.268 1.00 0.00 O ATOM 418 CB ASP A 28 -4.969 -16.922 -4.668 1.00 0.00 C ATOM 419 CG ASP A 28 -6.112 -17.837 -5.061 1.00 0.00 C ATOM 420 OD1 ASP A 28 -6.191 -18.957 -4.514 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.929 -17.434 -5.915 1.00 0.00 O ATOM 0 H ASP A 28 -3.668 -16.633 -2.312 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.871 -18.746 -4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.316 -16.214 -3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.659 -16.339 -5.535 1.00 0.00 H new ATOM 426 N PRO A 29 -1.998 -17.812 -5.824 1.00 0.00 N ATOM 427 CA PRO A 29 -0.768 -17.401 -6.509 1.00 0.00 C ATOM 428 C PRO A 29 -0.786 -15.929 -6.909 1.00 0.00 C ATOM 429 O PRO A 29 0.209 -15.221 -6.751 1.00 0.00 O ATOM 430 CB PRO A 29 -0.736 -18.290 -7.755 1.00 0.00 C ATOM 431 CG PRO A 29 -1.544 -19.486 -7.389 1.00 0.00 C ATOM 432 CD PRO A 29 -2.616 -18.992 -6.460 1.00 0.00 C ATOM 0 HA PRO A 29 0.106 -17.511 -5.867 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.158 -17.776 -8.619 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.285 -18.567 -8.017 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.978 -19.950 -8.275 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.925 -20.242 -6.905 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.525 -18.728 -7.000 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.890 -19.748 -5.724 1.00 0.00 H new ATOM 440 N ASP A 30 -1.921 -15.474 -7.430 1.00 0.00 N ATOM 441 CA ASP A 30 -2.063 -14.086 -7.856 1.00 0.00 C ATOM 442 C ASP A 30 -2.962 -13.305 -6.901 1.00 0.00 C ATOM 443 O ASP A 30 -3.586 -12.319 -7.291 1.00 0.00 O ATOM 444 CB ASP A 30 -2.633 -14.023 -9.274 1.00 0.00 C ATOM 445 CG ASP A 30 -1.559 -14.156 -10.336 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.426 -13.689 -10.097 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.851 -14.728 -11.408 1.00 0.00 O ATOM 0 H ASP A 30 -2.755 -16.045 -7.567 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.073 -13.629 -7.845 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.368 -14.818 -9.403 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.159 -13.078 -9.409 1.00 0.00 H new ATOM 452 N LYS A 31 -3.023 -13.750 -5.650 1.00 0.00 N ATOM 453 CA LYS A 31 -3.847 -13.087 -4.644 1.00 0.00 C ATOM 454 C LYS A 31 -3.365 -13.424 -3.237 1.00 0.00 C ATOM 455 O LYS A 31 -4.164 -13.730 -2.350 1.00 0.00 O ATOM 456 CB LYS A 31 -5.313 -13.495 -4.808 1.00 0.00 C ATOM 457 CG LYS A 31 -6.083 -12.624 -5.787 1.00 0.00 C ATOM 458 CD LYS A 31 -7.568 -12.940 -5.765 1.00 0.00 C ATOM 459 CE LYS A 31 -8.196 -12.763 -7.138 1.00 0.00 C ATOM 460 NZ LYS A 31 -9.677 -12.907 -7.095 1.00 0.00 N ATOM 0 H LYS A 31 -2.513 -14.565 -5.309 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.759 -12.010 -4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.357 -14.531 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.803 -13.454 -3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.930 -11.574 -5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.693 -12.774 -6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.718 -13.965 -5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.069 -12.289 -5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.938 -11.779 -7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.780 -13.500 -7.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.066 -12.779 -8.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.924 -13.855 -6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.077 -12.188 -6.459 1.00 0.00 H new ATOM 474 N ASN A 32 -2.052 -13.365 -3.035 1.00 0.00 N ATOM 475 CA ASN A 32 -1.463 -13.662 -1.735 1.00 0.00 C ATOM 476 C ASN A 32 -0.641 -12.483 -1.226 1.00 0.00 C ATOM 477 O ASN A 32 -0.244 -11.611 -1.999 1.00 0.00 O ATOM 478 CB ASN A 32 -0.585 -14.912 -1.823 1.00 0.00 C ATOM 479 CG ASN A 32 -0.010 -15.312 -0.477 1.00 0.00 C ATOM 480 OD1 ASN A 32 1.204 -15.428 -0.318 1.00 0.00 O ATOM 481 ND2 ASN A 32 -0.885 -15.525 0.499 1.00 0.00 N ATOM 0 H ASN A 32 -1.376 -13.114 -3.756 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.274 -13.845 -1.031 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.173 -15.738 -2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.230 -14.731 -2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.558 -15.797 1.426 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.884 -15.417 0.321 1.00 0.00 H new ATOM 488 N TRP A 33 -0.388 -12.462 0.079 1.00 0.00 N ATOM 489 CA TRP A 33 0.387 -11.389 0.691 1.00 0.00 C ATOM 490 C TRP A 33 1.827 -11.404 0.189 1.00 0.00 C ATOM 491 O TRP A 33 2.401 -10.358 -0.113 1.00 0.00 O ATOM 492 CB TRP A 33 0.366 -11.521 2.215 1.00 0.00 C ATOM 493 CG TRP A 33 0.872 -12.844 2.705 1.00 0.00 C ATOM 494 CD1 TRP A 33 0.131 -13.963 2.954 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.230 -13.185 3.005 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.945 -14.980 3.391 1.00 0.00 N ATOM 497 CE2 TRP A 33 2.238 -14.527 3.432 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.440 -12.486 2.955 1.00 0.00 C ATOM 499 CZ2 TRP A 33 3.409 -15.182 3.804 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.601 -13.139 3.326 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.578 -14.475 3.745 1.00 0.00 C ATOM 0 H TRP A 33 -0.709 -13.176 0.733 1.00 0.00 H new ATOM 0 HA TRP A 33 -0.068 -10.440 0.409 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.971 -10.725 2.650 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.654 -11.376 2.571 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -0.939 -14.038 2.826 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.637 -15.919 3.644 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.467 -11.456 2.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.395 -16.212 4.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.542 -12.610 3.292 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.502 -14.957 4.027 1.00 0.00 H new ATOM 512 N ALA A 34 2.405 -12.597 0.100 1.00 0.00 N ATOM 513 CA ALA A 34 3.778 -12.750 -0.366 1.00 0.00 C ATOM 514 C ALA A 34 3.943 -12.195 -1.776 1.00 0.00 C ATOM 515 O ALA A 34 5.013 -11.705 -2.140 1.00 0.00 O ATOM 516 CB ALA A 34 4.190 -14.214 -0.320 1.00 0.00 C ATOM 0 H ALA A 34 1.943 -13.473 0.345 1.00 0.00 H new ATOM 0 HA ALA A 34 4.428 -12.180 0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.217 -14.314 -0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.119 -14.580 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.529 -14.798 -0.961 1.00 0.00 H new ATOM 522 N THR A 35 2.878 -12.276 -2.567 1.00 0.00 N ATOM 523 CA THR A 35 2.906 -11.782 -3.939 1.00 0.00 C ATOM 524 C THR A 35 2.960 -10.258 -3.968 1.00 0.00 C ATOM 525 O THR A 35 3.591 -9.666 -4.843 1.00 0.00 O ATOM 526 CB THR A 35 1.678 -12.275 -4.705 1.00 0.00 C ATOM 527 OG1 THR A 35 1.195 -13.488 -4.154 1.00 0.00 O ATOM 528 CG2 THR A 35 1.944 -12.512 -6.176 1.00 0.00 C ATOM 0 H THR A 35 1.985 -12.679 -2.282 1.00 0.00 H new ATOM 0 HA THR A 35 3.805 -12.168 -4.420 1.00 0.00 H new ATOM 0 HB THR A 35 0.941 -11.478 -4.610 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.875 -14.070 -4.875 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.031 -12.860 -6.659 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.269 -11.581 -6.642 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.724 -13.265 -6.288 1.00 0.00 H new ATOM 536 N LEU A 36 2.293 -9.630 -3.007 1.00 0.00 N ATOM 537 CA LEU A 36 2.263 -8.174 -2.923 1.00 0.00 C ATOM 538 C LEU A 36 3.596 -7.630 -2.419 1.00 0.00 C ATOM 539 O LEU A 36 4.010 -6.532 -2.789 1.00 0.00 O ATOM 540 CB LEU A 36 1.131 -7.719 -2.000 1.00 0.00 C ATOM 541 CG LEU A 36 0.765 -6.237 -2.107 1.00 0.00 C ATOM 542 CD1 LEU A 36 -0.025 -5.974 -3.380 1.00 0.00 C ATOM 543 CD2 LEU A 36 -0.027 -5.797 -0.885 1.00 0.00 C ATOM 0 H LEU A 36 1.766 -10.106 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 36 2.086 -7.781 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.244 -8.313 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.414 -7.934 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 36 1.686 -5.655 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.277 -4.915 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.576 -6.253 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.941 -6.565 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.280 -4.741 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.942 -6.384 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.573 -5.950 0.012 1.00 0.00 H new ATOM 555 N ALA A 37 4.264 -8.408 -1.572 1.00 0.00 N ATOM 556 CA ALA A 37 5.549 -8.004 -1.017 1.00 0.00 C ATOM 557 C ALA A 37 6.594 -7.842 -2.116 1.00 0.00 C ATOM 558 O ALA A 37 7.508 -7.024 -2.002 1.00 0.00 O ATOM 559 CB ALA A 37 6.019 -9.018 0.015 1.00 0.00 C ATOM 0 H ALA A 37 3.936 -9.321 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 37 5.420 -7.038 -0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.980 -8.704 0.422 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.288 -9.083 0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.126 -9.995 -0.457 1.00 0.00 H new ATOM 565 N GLN A 38 6.455 -8.627 -3.180 1.00 0.00 N ATOM 566 CA GLN A 38 7.388 -8.569 -4.299 1.00 0.00 C ATOM 567 C GLN A 38 7.042 -7.419 -5.239 1.00 0.00 C ATOM 568 O GLN A 38 7.928 -6.790 -5.818 1.00 0.00 O ATOM 569 CB GLN A 38 7.377 -9.892 -5.068 1.00 0.00 C ATOM 570 CG GLN A 38 8.368 -10.914 -4.536 1.00 0.00 C ATOM 571 CD GLN A 38 9.312 -11.426 -5.606 1.00 0.00 C ATOM 572 OE1 GLN A 38 10.192 -10.703 -6.073 1.00 0.00 O ATOM 573 NE2 GLN A 38 9.133 -12.681 -6.001 1.00 0.00 N ATOM 0 H GLN A 38 5.706 -9.310 -3.290 1.00 0.00 H new ATOM 0 HA GLN A 38 8.387 -8.397 -3.897 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.374 -10.317 -5.029 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.599 -9.695 -6.117 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.948 -10.466 -3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.822 -11.754 -4.107 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.391 -13.245 -5.587 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.738 -13.081 -6.718 1.00 0.00 H new ATOM 582 N LYS A 39 5.749 -7.150 -5.386 1.00 0.00 N ATOM 583 CA LYS A 39 5.286 -6.074 -6.255 1.00 0.00 C ATOM 584 C LYS A 39 5.556 -4.712 -5.623 1.00 0.00 C ATOM 585 O LYS A 39 5.991 -3.778 -6.298 1.00 0.00 O ATOM 586 CB LYS A 39 3.792 -6.231 -6.546 1.00 0.00 C ATOM 587 CG LYS A 39 3.499 -6.913 -7.872 1.00 0.00 C ATOM 588 CD LYS A 39 3.933 -8.371 -7.857 1.00 0.00 C ATOM 589 CE LYS A 39 3.901 -8.975 -9.251 1.00 0.00 C ATOM 590 NZ LYS A 39 5.032 -9.916 -9.475 1.00 0.00 N ATOM 0 H LYS A 39 5.003 -7.662 -4.915 1.00 0.00 H new ATOM 0 HA LYS A 39 5.838 -6.134 -7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.332 -6.806 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.324 -5.247 -6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.432 -6.852 -8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.015 -6.387 -8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.941 -8.448 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.278 -8.940 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.957 -9.501 -9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.940 -8.178 -9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.974 -10.306 -10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.933 -9.409 -9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.981 -10.691 -8.784 1.00 0.00 H new ATOM 604 N LEU A 40 5.293 -4.606 -4.325 1.00 0.00 N ATOM 605 CA LEU A 40 5.506 -3.357 -3.601 1.00 0.00 C ATOM 606 C LEU A 40 6.994 -3.042 -3.488 1.00 0.00 C ATOM 607 O LEU A 40 7.467 -2.035 -4.015 1.00 0.00 O ATOM 608 CB LEU A 40 4.883 -3.439 -2.207 1.00 0.00 C ATOM 609 CG LEU A 40 3.358 -3.556 -2.185 1.00 0.00 C ATOM 610 CD1 LEU A 40 2.867 -3.891 -0.786 1.00 0.00 C ATOM 611 CD2 LEU A 40 2.719 -2.269 -2.682 1.00 0.00 C ATOM 0 H LEU A 40 4.932 -5.369 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 40 5.024 -2.555 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.306 -4.299 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.172 -2.552 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 40 3.065 -4.366 -2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.780 -3.970 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.298 -4.840 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.170 -3.104 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.634 -2.369 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.020 -1.442 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.044 -2.072 -3.703 1.00 0.00 H new ATOM 623 N GLY A 41 7.728 -3.909 -2.797 1.00 0.00 N ATOM 624 CA GLY A 41 9.155 -3.703 -2.628 1.00 0.00 C ATOM 625 C GLY A 41 9.653 -4.185 -1.280 1.00 0.00 C ATOM 626 O GLY A 41 10.423 -3.494 -0.613 1.00 0.00 O ATOM 0 H GLY A 41 7.360 -4.750 -2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.691 -4.227 -3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.382 -2.643 -2.738 1.00 0.00 H new ATOM 630 N LEU A 42 9.214 -5.373 -0.878 1.00 0.00 N ATOM 631 CA LEU A 42 9.623 -5.947 0.399 1.00 0.00 C ATOM 632 C LEU A 42 9.866 -7.446 0.269 1.00 0.00 C ATOM 633 O LEU A 42 9.659 -8.203 1.218 1.00 0.00 O ATOM 634 CB LEU A 42 8.555 -5.681 1.464 1.00 0.00 C ATOM 635 CG LEU A 42 8.151 -4.214 1.624 1.00 0.00 C ATOM 636 CD1 LEU A 42 6.761 -4.107 2.230 1.00 0.00 C ATOM 637 CD2 LEU A 42 9.166 -3.474 2.480 1.00 0.00 C ATOM 0 H LEU A 42 8.575 -5.957 -1.418 1.00 0.00 H new ATOM 0 HA LEU A 42 10.556 -5.472 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.666 -6.262 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.921 -6.048 2.423 1.00 0.00 H new ATOM 0 HG LEU A 42 8.131 -3.752 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.490 -3.057 2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.041 -4.603 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.753 -4.585 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.864 -2.432 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.217 -3.937 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.146 -3.522 2.005 1.00 0.00 H new ATOM 649 N GLY A 43 10.308 -7.869 -0.910 1.00 0.00 N ATOM 650 CA GLY A 43 10.574 -9.276 -1.143 1.00 0.00 C ATOM 651 C GLY A 43 11.735 -9.794 -0.316 1.00 0.00 C ATOM 652 O GLY A 43 11.810 -10.987 -0.020 1.00 0.00 O ATOM 0 H GLY A 43 10.487 -7.262 -1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.680 -9.855 -0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.788 -9.431 -2.200 1.00 0.00 H new ATOM 656 N ILE A 44 12.642 -8.897 0.056 1.00 0.00 N ATOM 657 CA ILE A 44 13.804 -9.272 0.852 1.00 0.00 C ATOM 658 C ILE A 44 13.393 -9.693 2.262 1.00 0.00 C ATOM 659 O ILE A 44 14.052 -10.522 2.889 1.00 0.00 O ATOM 660 CB ILE A 44 14.821 -8.114 0.942 1.00 0.00 C ATOM 661 CG1 ILE A 44 16.090 -8.571 1.667 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.203 -6.911 1.641 1.00 0.00 C ATOM 663 CD1 ILE A 44 17.279 -8.749 0.749 1.00 0.00 C ATOM 0 H ILE A 44 12.595 -7.906 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 44 14.275 -10.117 0.350 1.00 0.00 H new ATOM 0 HB ILE A 44 15.094 -7.815 -0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.342 -7.842 2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.889 -9.514 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.935 -6.105 1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.332 -6.572 1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.899 -7.193 2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 44 18.142 -9.074 1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 44 17.047 -9.500 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.506 -7.802 0.260 1.00 0.00 H new ATOM 675 N LEU A 45 12.299 -9.118 2.752 1.00 0.00 N ATOM 676 CA LEU A 45 11.801 -9.436 4.085 1.00 0.00 C ATOM 677 C LEU A 45 10.557 -10.314 4.008 1.00 0.00 C ATOM 678 O LEU A 45 9.675 -10.233 4.863 1.00 0.00 O ATOM 679 CB LEU A 45 11.485 -8.152 4.855 1.00 0.00 C ATOM 680 CG LEU A 45 12.568 -7.074 4.790 1.00 0.00 C ATOM 681 CD1 LEU A 45 11.941 -5.690 4.723 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.499 -7.181 5.988 1.00 0.00 C ATOM 0 H LEU A 45 11.741 -8.430 2.246 1.00 0.00 H new ATOM 0 HA LEU A 45 12.580 -9.986 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.555 -7.735 4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.310 -8.407 5.900 1.00 0.00 H new ATOM 0 HG LEU A 45 13.154 -7.229 3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.727 -4.936 4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.316 -5.617 3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.330 -5.524 5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.263 -6.406 5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.926 -7.052 6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.976 -8.161 5.992 1.00 0.00 H new ATOM 694 N ASN A 46 10.491 -11.153 2.979 1.00 0.00 N ATOM 695 CA ASN A 46 9.353 -12.045 2.793 1.00 0.00 C ATOM 696 C ASN A 46 9.381 -13.183 3.808 1.00 0.00 C ATOM 697 O ASN A 46 8.336 -13.680 4.226 1.00 0.00 O ATOM 698 CB ASN A 46 9.350 -12.613 1.371 1.00 0.00 C ATOM 699 CG ASN A 46 7.954 -12.691 0.783 1.00 0.00 C ATOM 700 OD1 ASN A 46 7.012 -13.122 1.448 1.00 0.00 O ATOM 701 ND2 ASN A 46 7.817 -12.274 -0.470 1.00 0.00 N ATOM 0 H ASN A 46 11.212 -11.233 2.262 1.00 0.00 H new ATOM 0 HA ASN A 46 8.442 -11.467 2.948 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.976 -11.990 0.732 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.794 -13.608 1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.902 -12.303 -0.920 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.627 -11.924 -0.983 1.00 0.00 H new ATOM 708 N ASN A 47 10.584 -13.590 4.199 1.00 0.00 N ATOM 709 CA ASN A 47 10.749 -14.669 5.166 1.00 0.00 C ATOM 710 C ASN A 47 10.394 -14.199 6.573 1.00 0.00 C ATOM 711 O ASN A 47 9.912 -14.977 7.395 1.00 0.00 O ATOM 712 CB ASN A 47 12.185 -15.194 5.137 1.00 0.00 C ATOM 713 CG ASN A 47 12.253 -16.702 5.277 1.00 0.00 C ATOM 714 OD1 ASN A 47 12.637 -17.223 6.325 1.00 0.00 O ATOM 715 ND2 ASN A 47 11.881 -17.411 4.219 1.00 0.00 N ATOM 0 H ASN A 47 11.459 -13.189 3.861 1.00 0.00 H new ATOM 0 HA ASN A 47 10.070 -15.476 4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.658 -14.897 4.201 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.754 -14.731 5.943 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.906 -18.430 4.253 1.00 0.00 H new ATOM 0 HD22 ASN A 47 11.570 -16.937 3.371 1.00 0.00 H new ATOM 722 N ALA A 48 10.635 -12.920 6.842 1.00 0.00 N ATOM 723 CA ALA A 48 10.342 -12.345 8.148 1.00 0.00 C ATOM 724 C ALA A 48 8.839 -12.297 8.402 1.00 0.00 C ATOM 725 O ALA A 48 8.381 -12.523 9.523 1.00 0.00 O ATOM 726 CB ALA A 48 10.941 -10.951 8.258 1.00 0.00 C ATOM 0 H ALA A 48 11.033 -12.262 6.172 1.00 0.00 H new ATOM 0 HA ALA A 48 10.793 -12.984 8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.714 -10.534 9.239 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.022 -11.008 8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.517 -10.311 7.485 1.00 0.00 H new ATOM 732 N PHE A 49 8.075 -12.002 7.356 1.00 0.00 N ATOM 733 CA PHE A 49 6.623 -11.924 7.466 1.00 0.00 C ATOM 734 C PHE A 49 6.017 -13.309 7.672 1.00 0.00 C ATOM 735 O PHE A 49 5.106 -13.484 8.482 1.00 0.00 O ATOM 736 CB PHE A 49 6.030 -11.276 6.214 1.00 0.00 C ATOM 737 CG PHE A 49 6.652 -9.953 5.869 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.882 -9.003 6.851 1.00 0.00 C ATOM 739 CD2 PHE A 49 7.007 -9.660 4.562 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.454 -7.786 6.536 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.579 -8.443 4.241 1.00 0.00 C ATOM 742 CZ PHE A 49 7.803 -7.505 5.230 1.00 0.00 C ATOM 0 H PHE A 49 8.437 -11.813 6.422 1.00 0.00 H new ATOM 0 HA PHE A 49 6.382 -11.310 8.334 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.152 -11.956 5.371 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.959 -11.137 6.360 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.611 -9.217 7.874 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.835 -10.391 3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.628 -7.054 7.311 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.850 -8.226 3.218 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.250 -6.554 4.982 1.00 0.00 H new ATOM 752 N ARG A 50 6.528 -14.289 6.933 1.00 0.00 N ATOM 753 CA ARG A 50 6.035 -15.659 7.035 1.00 0.00 C ATOM 754 C ARG A 50 6.183 -16.188 8.459 1.00 0.00 C ATOM 755 O ARG A 50 5.334 -16.935 8.946 1.00 0.00 O ATOM 756 CB ARG A 50 6.786 -16.566 6.057 1.00 0.00 C ATOM 757 CG ARG A 50 5.870 -17.418 5.193 1.00 0.00 C ATOM 758 CD ARG A 50 6.433 -18.816 4.986 1.00 0.00 C ATOM 759 NE ARG A 50 6.794 -19.061 3.591 1.00 0.00 N ATOM 760 CZ ARG A 50 7.921 -18.629 3.031 1.00 0.00 C ATOM 761 NH1 ARG A 50 8.797 -17.928 3.740 1.00 0.00 N ATOM 762 NH2 ARG A 50 8.172 -18.897 1.756 1.00 0.00 N ATOM 0 H ARG A 50 7.282 -14.161 6.258 1.00 0.00 H new ATOM 0 HA ARG A 50 4.976 -15.658 6.778 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.412 -15.951 5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.453 -17.219 6.619 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.888 -17.487 5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.729 -16.935 4.226 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.312 -18.950 5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.697 -19.554 5.305 1.00 0.00 H new ATOM 0 HE ARG A 50 6.144 -19.594 3.013 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.608 -17.718 4.720 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.659 -17.600 3.305 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.501 -19.434 1.206 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.036 -18.566 1.326 1.00 0.00 H new ATOM 776 N LEU A 51 7.267 -15.796 9.121 1.00 0.00 N ATOM 777 CA LEU A 51 7.526 -16.231 10.489 1.00 0.00 C ATOM 778 C LEU A 51 6.535 -15.593 11.460 1.00 0.00 C ATOM 779 O LEU A 51 6.178 -16.186 12.477 1.00 0.00 O ATOM 780 CB LEU A 51 8.957 -15.874 10.898 1.00 0.00 C ATOM 781 CG LEU A 51 10.049 -16.701 10.218 1.00 0.00 C ATOM 782 CD1 LEU A 51 11.425 -16.141 10.545 1.00 0.00 C ATOM 783 CD2 LEU A 51 9.952 -18.159 10.637 1.00 0.00 C ATOM 0 H LEU A 51 7.980 -15.178 8.733 1.00 0.00 H new ATOM 0 HA LEU A 51 7.402 -17.313 10.529 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.130 -14.821 10.678 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.051 -15.993 11.977 1.00 0.00 H new ATOM 0 HG LEU A 51 9.903 -16.643 9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.189 -16.742 10.052 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.492 -15.111 10.194 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.582 -16.168 11.623 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.737 -18.732 10.143 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.072 -18.236 11.718 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.978 -18.556 10.351 1.00 0.00 H new ATOM 795 N SER A 52 6.098 -14.380 11.136 1.00 0.00 N ATOM 796 CA SER A 52 5.150 -13.659 11.979 1.00 0.00 C ATOM 797 C SER A 52 3.780 -14.332 11.958 1.00 0.00 C ATOM 798 O SER A 52 3.488 -15.138 11.075 1.00 0.00 O ATOM 799 CB SER A 52 5.026 -12.208 11.513 1.00 0.00 C ATOM 800 OG SER A 52 5.952 -11.374 12.188 1.00 0.00 O ATOM 0 H SER A 52 6.385 -13.876 10.297 1.00 0.00 H new ATOM 0 HA SER A 52 5.525 -13.675 13.002 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.198 -12.152 10.438 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.012 -11.851 11.693 1.00 0.00 H new ATOM 0 HG SER A 52 5.853 -10.452 11.871 1.00 0.00 H new ATOM 806 N PRO A 53 2.915 -14.004 12.934 1.00 0.00 N ATOM 807 CA PRO A 53 1.568 -14.576 13.023 1.00 0.00 C ATOM 808 C PRO A 53 0.677 -14.138 11.865 1.00 0.00 C ATOM 809 O PRO A 53 -0.223 -14.868 11.449 1.00 0.00 O ATOM 810 CB PRO A 53 1.029 -14.030 14.349 1.00 0.00 C ATOM 811 CG PRO A 53 1.817 -12.791 14.598 1.00 0.00 C ATOM 812 CD PRO A 53 3.182 -13.048 14.025 1.00 0.00 C ATOM 0 HA PRO A 53 1.586 -15.665 12.975 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.037 -13.814 14.284 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.160 -14.751 15.156 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.350 -11.929 14.122 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.876 -12.573 15.664 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.642 -12.132 13.654 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.859 -13.466 14.770 1.00 0.00 H new ATOM 820 N ALA A 54 0.935 -12.941 11.350 1.00 0.00 N ATOM 821 CA ALA A 54 0.158 -12.403 10.240 1.00 0.00 C ATOM 822 C ALA A 54 1.063 -11.719 9.219 1.00 0.00 C ATOM 823 O ALA A 54 1.260 -10.505 9.266 1.00 0.00 O ATOM 824 CB ALA A 54 -0.891 -11.430 10.754 1.00 0.00 C ATOM 0 H ALA A 54 1.676 -12.325 11.684 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.345 -13.233 9.743 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.464 -11.036 9.915 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.562 -11.947 11.440 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.400 -10.608 11.276 1.00 0.00 H new ATOM 830 N PRO A 55 1.629 -12.494 8.277 1.00 0.00 N ATOM 831 CA PRO A 55 2.518 -11.958 7.241 1.00 0.00 C ATOM 832 C PRO A 55 1.908 -10.765 6.514 1.00 0.00 C ATOM 833 O PRO A 55 2.591 -9.778 6.238 1.00 0.00 O ATOM 834 CB PRO A 55 2.696 -13.137 6.283 1.00 0.00 C ATOM 835 CG PRO A 55 2.471 -14.346 7.122 1.00 0.00 C ATOM 836 CD PRO A 55 1.447 -13.953 8.151 1.00 0.00 C ATOM 0 HA PRO A 55 3.454 -11.586 7.658 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.983 -13.089 5.460 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.693 -13.141 5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 55 2.116 -15.180 6.517 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.397 -14.669 7.597 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.437 -14.205 7.829 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.615 -14.462 9.100 1.00 0.00 H new ATOM 844 N SER A 56 0.619 -10.863 6.204 1.00 0.00 N ATOM 845 CA SER A 56 -0.083 -9.791 5.508 1.00 0.00 C ATOM 846 C SER A 56 -0.217 -8.560 6.398 1.00 0.00 C ATOM 847 O SER A 56 -0.238 -7.429 5.913 1.00 0.00 O ATOM 848 CB SER A 56 -1.467 -10.265 5.061 1.00 0.00 C ATOM 849 OG SER A 56 -1.492 -11.671 4.882 1.00 0.00 O ATOM 0 H SER A 56 0.040 -11.673 6.424 1.00 0.00 H new ATOM 0 HA SER A 56 0.502 -9.519 4.629 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.211 -9.977 5.804 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.740 -9.772 4.128 1.00 0.00 H new ATOM 0 HG SER A 56 -2.388 -11.949 4.598 1.00 0.00 H new ATOM 855 N LYS A 57 -0.309 -8.788 7.705 1.00 0.00 N ATOM 856 CA LYS A 57 -0.441 -7.698 8.664 1.00 0.00 C ATOM 857 C LYS A 57 0.900 -7.012 8.899 1.00 0.00 C ATOM 858 O LYS A 57 0.959 -5.806 9.136 1.00 0.00 O ATOM 859 CB LYS A 57 -0.999 -8.222 9.988 1.00 0.00 C ATOM 860 CG LYS A 57 -1.439 -7.122 10.941 1.00 0.00 C ATOM 861 CD LYS A 57 -2.249 -7.680 12.100 1.00 0.00 C ATOM 862 CE LYS A 57 -2.806 -6.571 12.979 1.00 0.00 C ATOM 863 NZ LYS A 57 -2.272 -6.641 14.367 1.00 0.00 N ATOM 0 H LYS A 57 -0.294 -9.718 8.123 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.134 -6.965 8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.848 -8.874 9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.239 -8.832 10.477 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.563 -6.601 11.326 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.035 -6.387 10.400 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.069 -8.285 11.713 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.621 -8.339 12.699 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.558 -5.603 12.543 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.894 -6.640 13.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.676 -5.868 14.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.530 -7.554 14.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.236 -6.550 14.345 1.00 0.00 H new ATOM 877 N THR A 58 1.976 -7.790 8.833 1.00 0.00 N ATOM 878 CA THR A 58 3.319 -7.258 9.038 1.00 0.00 C ATOM 879 C THR A 58 3.832 -6.568 7.778 1.00 0.00 C ATOM 880 O THR A 58 4.641 -5.644 7.850 1.00 0.00 O ATOM 881 CB THR A 58 4.276 -8.378 9.446 1.00 0.00 C ATOM 882 OG1 THR A 58 3.638 -9.288 10.324 1.00 0.00 O ATOM 883 CG2 THR A 58 5.526 -7.874 10.136 1.00 0.00 C ATOM 0 H THR A 58 1.944 -8.791 8.639 1.00 0.00 H new ATOM 0 HA THR A 58 3.271 -6.520 9.839 1.00 0.00 H new ATOM 0 HB THR A 58 4.565 -8.865 8.515 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.937 -9.773 9.840 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.162 -8.719 10.399 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.068 -7.207 9.466 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.249 -7.333 11.041 1.00 0.00 H new ATOM 891 N LEU A 59 3.358 -7.025 6.622 1.00 0.00 N ATOM 892 CA LEU A 59 3.771 -6.452 5.346 1.00 0.00 C ATOM 893 C LEU A 59 3.465 -4.958 5.293 1.00 0.00 C ATOM 894 O LEU A 59 4.313 -4.154 4.905 1.00 0.00 O ATOM 895 CB LEU A 59 3.071 -7.168 4.190 1.00 0.00 C ATOM 896 CG LEU A 59 3.511 -6.728 2.793 1.00 0.00 C ATOM 897 CD1 LEU A 59 4.940 -7.171 2.521 1.00 0.00 C ATOM 898 CD2 LEU A 59 2.568 -7.287 1.738 1.00 0.00 C ATOM 0 H LEU A 59 2.688 -7.790 6.544 1.00 0.00 H new ATOM 0 HA LEU A 59 4.848 -6.587 5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.245 -8.240 4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.997 -7.010 4.282 1.00 0.00 H new ATOM 0 HG LEU A 59 3.474 -5.640 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.237 -6.850 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.606 -6.724 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.003 -8.257 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.895 -6.964 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.574 -8.376 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.558 -6.922 1.923 1.00 0.00 H new ATOM 910 N MET A 60 2.250 -4.593 5.687 1.00 0.00 N ATOM 911 CA MET A 60 1.833 -3.195 5.683 1.00 0.00 C ATOM 912 C MET A 60 2.617 -2.390 6.716 1.00 0.00 C ATOM 913 O MET A 60 2.859 -1.197 6.533 1.00 0.00 O ATOM 914 CB MET A 60 0.333 -3.088 5.967 1.00 0.00 C ATOM 915 CG MET A 60 -0.537 -3.643 4.851 1.00 0.00 C ATOM 916 SD MET A 60 -0.421 -2.678 3.334 1.00 0.00 S ATOM 917 CE MET A 60 -1.691 -3.456 2.340 1.00 0.00 C ATOM 0 H MET A 60 1.537 -5.245 6.013 1.00 0.00 H new ATOM 0 HA MET A 60 2.039 -2.783 4.695 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.108 -3.620 6.891 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.076 -2.041 6.131 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.244 -4.673 4.645 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.575 -3.667 5.183 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.766 -2.945 1.380 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.434 -4.502 2.175 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.648 -3.395 2.859 1.00 0.00 H new ATOM 927 N ASP A 61 3.010 -3.050 7.800 1.00 0.00 N ATOM 928 CA ASP A 61 3.766 -2.396 8.862 1.00 0.00 C ATOM 929 C ASP A 61 5.178 -2.057 8.395 1.00 0.00 C ATOM 930 O ASP A 61 5.751 -1.046 8.803 1.00 0.00 O ATOM 931 CB ASP A 61 3.826 -3.292 10.100 1.00 0.00 C ATOM 932 CG ASP A 61 2.750 -2.953 11.112 1.00 0.00 C ATOM 933 OD1 ASP A 61 1.601 -3.408 10.931 1.00 0.00 O ATOM 934 OD2 ASP A 61 3.054 -2.233 12.085 1.00 0.00 O ATOM 0 H ASP A 61 2.818 -4.038 7.966 1.00 0.00 H new ATOM 0 HA ASP A 61 3.256 -1.468 9.119 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.720 -4.334 9.797 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.805 -3.194 10.569 1.00 0.00 H new ATOM 939 N ASN A 62 5.734 -2.908 7.540 1.00 0.00 N ATOM 940 CA ASN A 62 7.079 -2.700 7.018 1.00 0.00 C ATOM 941 C ASN A 62 7.060 -1.743 5.830 1.00 0.00 C ATOM 942 O ASN A 62 8.016 -1.000 5.602 1.00 0.00 O ATOM 943 CB ASN A 62 7.701 -4.034 6.604 1.00 0.00 C ATOM 944 CG ASN A 62 8.411 -4.723 7.752 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.626 -4.917 7.719 1.00 0.00 O ATOM 946 ND2 ASN A 62 7.654 -5.097 8.777 1.00 0.00 N ATOM 0 H ASN A 62 5.273 -3.749 7.193 1.00 0.00 H new ATOM 0 HA ASN A 62 7.684 -2.256 7.809 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.922 -4.690 6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.408 -3.865 5.792 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.076 -5.565 9.579 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.650 -4.916 8.762 1.00 0.00 H new ATOM 953 N TYR A 63 5.967 -1.767 5.075 1.00 0.00 N ATOM 954 CA TYR A 63 5.823 -0.902 3.910 1.00 0.00 C ATOM 955 C TYR A 63 5.545 0.538 4.330 1.00 0.00 C ATOM 956 O TYR A 63 5.937 1.481 3.643 1.00 0.00 O ATOM 957 CB TYR A 63 4.696 -1.410 3.008 1.00 0.00 C ATOM 958 CG TYR A 63 4.672 -0.760 1.643 1.00 0.00 C ATOM 959 CD1 TYR A 63 5.823 -0.685 0.867 1.00 0.00 C ATOM 960 CD2 TYR A 63 3.499 -0.223 1.129 1.00 0.00 C ATOM 961 CE1 TYR A 63 5.806 -0.093 -0.380 1.00 0.00 C ATOM 962 CE2 TYR A 63 3.473 0.370 -0.120 1.00 0.00 C ATOM 963 CZ TYR A 63 4.628 0.433 -0.870 1.00 0.00 C ATOM 964 OH TYR A 63 4.607 1.024 -2.112 1.00 0.00 O ATOM 0 H TYR A 63 5.168 -2.376 5.249 1.00 0.00 H new ATOM 0 HA TYR A 63 6.761 -0.923 3.355 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.798 -2.488 2.886 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.740 -1.234 3.501 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.746 -1.097 1.246 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.592 -0.269 1.714 1.00 0.00 H new ATOM 0 HE1 TYR A 63 6.710 -0.042 -0.969 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.552 0.782 -0.506 1.00 0.00 H new ATOM 0 HH TYR A 63 5.503 0.987 -2.507 1.00 0.00 H new ATOM 974 N GLU A 64 4.867 0.699 5.461 1.00 0.00 N ATOM 975 CA GLU A 64 4.536 2.024 5.972 1.00 0.00 C ATOM 976 C GLU A 64 5.769 2.709 6.553 1.00 0.00 C ATOM 977 O GLU A 64 6.027 3.880 6.277 1.00 0.00 O ATOM 978 CB GLU A 64 3.444 1.925 7.038 1.00 0.00 C ATOM 979 CG GLU A 64 2.727 3.239 7.299 1.00 0.00 C ATOM 980 CD GLU A 64 1.649 3.114 8.357 1.00 0.00 C ATOM 981 OE1 GLU A 64 0.651 2.405 8.108 1.00 0.00 O ATOM 982 OE2 GLU A 64 1.800 3.726 9.435 1.00 0.00 O ATOM 0 H GLU A 64 4.536 -0.072 6.041 1.00 0.00 H new ATOM 0 HA GLU A 64 4.168 2.624 5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.713 1.177 6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.888 1.572 7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.453 3.989 7.612 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.280 3.596 6.371 1.00 0.00 H new ATOM 989 N VAL A 65 6.526 1.972 7.358 1.00 0.00 N ATOM 990 CA VAL A 65 7.732 2.510 7.976 1.00 0.00 C ATOM 991 C VAL A 65 8.729 2.978 6.922 1.00 0.00 C ATOM 992 O VAL A 65 9.528 3.882 7.167 1.00 0.00 O ATOM 993 CB VAL A 65 8.413 1.467 8.884 1.00 0.00 C ATOM 994 CG1 VAL A 65 9.583 2.091 9.631 1.00 0.00 C ATOM 995 CG2 VAL A 65 7.409 0.866 9.857 1.00 0.00 C ATOM 0 H VAL A 65 6.326 1.001 7.598 1.00 0.00 H new ATOM 0 HA VAL A 65 7.422 3.361 8.582 1.00 0.00 H new ATOM 0 HB VAL A 65 8.799 0.664 8.256 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.051 1.340 10.267 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.314 2.466 8.914 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.223 2.915 10.248 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.909 0.132 10.489 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.989 1.655 10.480 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.609 0.379 9.300 1.00 0.00 H new ATOM 1005 N SER A 66 8.677 2.359 5.746 1.00 0.00 N ATOM 1006 CA SER A 66 9.576 2.714 4.654 1.00 0.00 C ATOM 1007 C SER A 66 8.911 3.702 3.700 1.00 0.00 C ATOM 1008 O SER A 66 9.078 3.613 2.484 1.00 0.00 O ATOM 1009 CB SER A 66 10.006 1.459 3.893 1.00 0.00 C ATOM 1010 OG SER A 66 11.041 1.752 2.969 1.00 0.00 O ATOM 0 H SER A 66 8.022 1.609 5.526 1.00 0.00 H new ATOM 0 HA SER A 66 10.458 3.190 5.082 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.348 0.701 4.598 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.150 1.039 3.364 1.00 0.00 H new ATOM 0 HG SER A 66 10.774 2.510 2.409 1.00 0.00 H new ATOM 1016 N GLY A 67 8.157 4.642 4.260 1.00 0.00 N ATOM 1017 CA GLY A 67 7.480 5.633 3.444 1.00 0.00 C ATOM 1018 C GLY A 67 6.514 5.007 2.455 1.00 0.00 C ATOM 1019 O GLY A 67 6.756 5.022 1.249 1.00 0.00 O ATOM 0 H GLY A 67 8.003 4.735 5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.937 6.323 4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.221 6.221 2.902 1.00 0.00 H new ATOM 1023 N GLY A 68 5.418 4.458 2.968 1.00 0.00 N ATOM 1024 CA GLY A 68 4.431 3.833 2.108 1.00 0.00 C ATOM 1025 C GLY A 68 3.762 4.826 1.177 1.00 0.00 C ATOM 1026 O GLY A 68 3.597 5.996 1.522 1.00 0.00 O ATOM 0 H GLY A 68 5.196 4.435 3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.910 3.052 1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.673 3.348 2.723 1.00 0.00 H new ATOM 1030 N THR A 69 3.378 4.359 -0.006 1.00 0.00 N ATOM 1031 CA THR A 69 2.724 5.214 -0.989 1.00 0.00 C ATOM 1032 C THR A 69 1.476 4.542 -1.552 1.00 0.00 C ATOM 1033 O THR A 69 1.410 3.316 -1.649 1.00 0.00 O ATOM 1034 CB THR A 69 3.691 5.552 -2.124 1.00 0.00 C ATOM 1035 OG1 THR A 69 4.400 4.399 -2.541 1.00 0.00 O ATOM 1036 CG2 THR A 69 4.711 6.607 -1.749 1.00 0.00 C ATOM 0 H THR A 69 3.508 3.393 -0.307 1.00 0.00 H new ATOM 0 HA THR A 69 2.424 6.135 -0.489 1.00 0.00 H new ATOM 0 HB THR A 69 3.066 5.943 -2.927 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.012 4.637 -3.269 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.365 6.799 -2.599 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.197 7.527 -1.471 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.306 6.255 -0.906 1.00 0.00 H new ATOM 1044 N VAL A 70 0.489 5.351 -1.919 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.757 4.836 -2.472 1.00 0.00 C ATOM 1046 C VAL A 70 -0.607 4.506 -3.953 1.00 0.00 C ATOM 1047 O VAL A 70 -1.218 3.561 -4.454 1.00 0.00 O ATOM 1048 CB VAL A 70 -1.909 5.842 -2.297 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.234 5.216 -2.701 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -1.964 6.344 -0.861 1.00 0.00 C ATOM 0 H VAL A 70 0.528 6.367 -1.843 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.993 3.926 -1.921 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.724 6.695 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.035 5.943 -2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.189 4.911 -3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.430 4.344 -2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.784 7.054 -0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.124 5.502 -0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.024 6.836 -0.611 1.00 0.00 H new ATOM 1060 N ARG A 71 0.209 5.290 -4.651 1.00 0.00 N ATOM 1061 CA ARG A 71 0.438 5.080 -6.075 1.00 0.00 C ATOM 1062 C ARG A 71 1.003 3.687 -6.338 1.00 0.00 C ATOM 1063 O ARG A 71 0.708 3.070 -7.360 1.00 0.00 O ATOM 1064 CB ARG A 71 1.394 6.145 -6.621 1.00 0.00 C ATOM 1065 CG ARG A 71 0.684 7.337 -7.242 1.00 0.00 C ATOM 1066 CD ARG A 71 0.809 7.336 -8.758 1.00 0.00 C ATOM 1067 NE ARG A 71 -0.174 8.214 -9.389 1.00 0.00 N ATOM 1068 CZ ARG A 71 -1.449 7.884 -9.579 1.00 0.00 C ATOM 1069 NH1 ARG A 71 -1.901 6.698 -9.190 1.00 0.00 N ATOM 1070 NH2 ARG A 71 -2.276 8.743 -10.161 1.00 0.00 N ATOM 0 H ARG A 71 0.722 6.076 -4.253 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.520 5.164 -6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.035 6.495 -5.812 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.044 5.690 -7.368 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.370 7.319 -6.963 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.104 8.260 -6.842 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.813 7.654 -9.039 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.680 6.320 -9.132 1.00 0.00 H new ATOM 0 HE ARG A 71 0.135 9.134 -9.702 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.270 6.033 -8.742 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.880 6.451 -9.339 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.934 9.656 -10.462 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.253 8.491 -10.307 1.00 0.00 H new ATOM 1084 N GLU A 72 1.816 3.200 -5.406 1.00 0.00 N ATOM 1085 CA GLU A 72 2.420 1.880 -5.535 1.00 0.00 C ATOM 1086 C GLU A 72 1.429 0.788 -5.147 1.00 0.00 C ATOM 1087 O GLU A 72 1.481 -0.326 -5.667 1.00 0.00 O ATOM 1088 CB GLU A 72 3.673 1.781 -4.663 1.00 0.00 C ATOM 1089 CG GLU A 72 4.943 2.231 -5.369 1.00 0.00 C ATOM 1090 CD GLU A 72 6.103 1.281 -5.147 1.00 0.00 C ATOM 1091 OE1 GLU A 72 6.069 0.162 -5.702 1.00 0.00 O ATOM 1092 OE2 GLU A 72 7.045 1.655 -4.418 1.00 0.00 O ATOM 0 H GLU A 72 2.071 3.700 -4.554 1.00 0.00 H new ATOM 0 HA GLU A 72 2.700 1.737 -6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.531 2.386 -3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.796 0.749 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.749 2.317 -6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.219 3.224 -5.014 1.00 0.00 H new ATOM 1099 N LEU A 73 0.525 1.117 -4.229 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.479 0.164 -3.769 1.00 0.00 C ATOM 1101 C LEU A 73 -1.462 -0.172 -4.887 1.00 0.00 C ATOM 1102 O LEU A 73 -1.840 -1.329 -5.067 1.00 0.00 O ATOM 1103 CB LEU A 73 -1.234 0.728 -2.564 1.00 0.00 C ATOM 1104 CG LEU A 73 -2.197 -0.250 -1.889 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -1.436 -1.429 -1.304 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -3.002 0.457 -0.808 1.00 0.00 C ATOM 0 H LEU A 73 0.467 2.036 -3.789 1.00 0.00 H new ATOM 0 HA LEU A 73 0.034 -0.751 -3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.508 1.067 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.796 1.605 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.889 -0.628 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.137 -2.114 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.904 -1.950 -2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.721 -1.069 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.682 -0.253 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.325 0.863 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.577 1.269 -1.254 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.872 0.846 -5.636 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.810 0.657 -6.735 1.00 0.00 C ATOM 1120 C VAL A 74 -2.137 -0.033 -7.918 1.00 0.00 C ATOM 1121 O VAL A 74 -2.776 -0.782 -8.657 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.405 1.998 -7.206 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.498 1.765 -8.239 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.940 2.789 -6.023 1.00 0.00 C ATOM 0 H VAL A 74 -1.569 1.811 -5.501 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.615 0.026 -6.359 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.613 2.581 -7.675 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.906 2.724 -8.560 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.080 1.243 -9.099 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.292 1.162 -7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.356 3.733 -6.375 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.719 2.213 -5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.129 2.989 -5.322 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.845 0.225 -8.090 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.087 -0.373 -9.183 1.00 0.00 C ATOM 1136 C GLU A 75 0.276 -1.820 -8.866 1.00 0.00 C ATOM 1137 O GLU A 75 0.075 -2.715 -9.687 1.00 0.00 O ATOM 1138 CB GLU A 75 1.183 0.439 -9.453 1.00 0.00 C ATOM 1139 CG GLU A 75 1.100 1.300 -10.703 1.00 0.00 C ATOM 1140 CD GLU A 75 2.079 0.868 -11.776 1.00 0.00 C ATOM 1141 OE1 GLU A 75 2.230 -0.353 -11.986 1.00 0.00 O ATOM 1142 OE2 GLU A 75 2.696 1.753 -12.407 1.00 0.00 O ATOM 0 H GLU A 75 -0.302 0.843 -7.488 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.713 -0.363 -10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.385 1.079 -8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.028 -0.244 -9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.087 1.257 -11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.294 2.339 -10.437 1.00 0.00 H new ATOM 1149 N ALA A 76 0.810 -2.043 -7.669 1.00 0.00 N ATOM 1150 CA ALA A 76 1.200 -3.382 -7.244 1.00 0.00 C ATOM 1151 C ALA A 76 0.005 -4.328 -7.243 1.00 0.00 C ATOM 1152 O ALA A 76 0.148 -5.524 -7.500 1.00 0.00 O ATOM 1153 CB ALA A 76 1.836 -3.331 -5.863 1.00 0.00 C ATOM 0 H ALA A 76 0.982 -1.314 -6.977 1.00 0.00 H new ATOM 0 HA ALA A 76 1.931 -3.764 -7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.123 -4.337 -5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.721 -2.695 -5.893 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.121 -2.924 -5.148 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.173 -3.786 -6.953 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.393 -4.583 -6.918 1.00 0.00 C ATOM 1161 C LEU A 77 -2.852 -4.939 -8.328 1.00 0.00 C ATOM 1162 O LEU A 77 -3.446 -5.994 -8.551 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.502 -3.824 -6.186 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.363 -3.783 -4.664 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.402 -2.852 -4.057 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.492 -5.182 -4.080 1.00 0.00 C ATOM 0 H LEU A 77 -1.308 -2.798 -6.739 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.178 -5.507 -6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.529 -2.801 -6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.460 -4.281 -6.436 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.373 -3.398 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.287 -2.836 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.263 -1.845 -4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.401 -3.207 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.391 -5.134 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.468 -5.594 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.710 -5.821 -4.490 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.570 -4.053 -9.279 1.00 0.00 N ATOM 1179 CA ARG A 78 -2.954 -4.274 -10.667 1.00 0.00 C ATOM 1180 C ARG A 78 -1.985 -5.232 -11.355 1.00 0.00 C ATOM 1181 O ARG A 78 -2.383 -6.026 -12.206 1.00 0.00 O ATOM 1182 CB ARG A 78 -2.998 -2.945 -11.424 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.109 -2.871 -12.458 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.299 -1.453 -12.972 1.00 0.00 C ATOM 1185 NE ARG A 78 -3.375 -1.137 -14.059 1.00 0.00 N ATOM 1186 CZ ARG A 78 -3.547 -0.127 -14.908 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -4.606 0.667 -14.801 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -2.658 0.091 -15.868 1.00 0.00 N ATOM 0 H ARG A 78 -2.077 -3.176 -9.112 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.947 -4.723 -10.675 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.124 -2.133 -10.708 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.040 -2.787 -11.920 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.876 -3.533 -13.292 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.041 -3.228 -12.019 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.324 -1.328 -13.320 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.151 -0.748 -12.154 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.550 -1.725 -14.174 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.293 0.504 -14.065 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.732 1.440 -15.455 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.843 -0.516 -15.955 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.790 0.865 -16.519 1.00 0.00 H new ATOM 1202 N GLN A 79 -0.713 -5.150 -10.979 1.00 0.00 N ATOM 1203 CA GLN A 79 0.311 -6.010 -11.560 1.00 0.00 C ATOM 1204 C GLN A 79 0.048 -7.474 -11.224 1.00 0.00 C ATOM 1205 O GLN A 79 0.311 -8.364 -12.034 1.00 0.00 O ATOM 1206 CB GLN A 79 1.696 -5.599 -11.056 1.00 0.00 C ATOM 1207 CG GLN A 79 2.170 -4.261 -11.601 1.00 0.00 C ATOM 1208 CD GLN A 79 3.675 -4.103 -11.531 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.421 -4.888 -12.117 1.00 0.00 O ATOM 1210 NE2 GLN A 79 4.131 -3.084 -10.812 1.00 0.00 N ATOM 0 H GLN A 79 -0.367 -4.498 -10.275 1.00 0.00 H new ATOM 0 HA GLN A 79 0.276 -5.894 -12.643 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.678 -5.552 -9.967 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.417 -6.369 -11.330 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.846 -4.159 -12.637 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.697 -3.456 -11.038 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.477 -2.458 -10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.135 -2.928 -10.729 1.00 0.00 H new ATOM 1219 N MET A 80 -0.470 -7.717 -10.026 1.00 0.00 N ATOM 1220 CA MET A 80 -0.769 -9.074 -9.582 1.00 0.00 C ATOM 1221 C MET A 80 -2.084 -9.565 -10.179 1.00 0.00 C ATOM 1222 O MET A 80 -2.117 -10.563 -10.899 1.00 0.00 O ATOM 1223 CB MET A 80 -0.837 -9.131 -8.055 1.00 0.00 C ATOM 1224 CG MET A 80 0.519 -9.307 -7.392 1.00 0.00 C ATOM 1225 SD MET A 80 0.452 -9.080 -5.604 1.00 0.00 S ATOM 1226 CE MET A 80 -1.013 -10.027 -5.197 1.00 0.00 C ATOM 0 H MET A 80 -0.692 -6.992 -9.344 1.00 0.00 H new ATOM 0 HA MET A 80 0.033 -9.727 -9.928 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.296 -8.214 -7.686 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.487 -9.955 -7.759 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.901 -10.303 -7.614 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.223 -8.593 -7.819 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.099 -10.117 -4.114 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.895 -9.520 -5.590 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.938 -11.021 -5.639 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.166 -8.856 -9.874 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.469 -9.234 -10.388 1.00 0.00 C ATOM 1238 C GLY A 81 -5.575 -9.029 -9.372 1.00 0.00 C ATOM 1239 O GLY A 81 -6.438 -9.890 -9.201 1.00 0.00 O ATOM 0 H GLY A 81 -3.164 -8.027 -9.280 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.687 -8.649 -11.281 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.447 -10.281 -10.690 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.550 -7.884 -8.696 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.558 -7.568 -7.691 1.00 0.00 C ATOM 1245 C TYR A 82 -7.513 -6.492 -8.199 1.00 0.00 C ATOM 1246 O TYR A 82 -7.087 -5.487 -8.767 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.888 -7.102 -6.396 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.712 -8.203 -5.375 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.813 -8.805 -4.778 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.446 -8.639 -5.007 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.657 -9.810 -3.843 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.281 -9.645 -4.074 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.389 -10.227 -3.495 1.00 0.00 C ATOM 1254 OH TYR A 82 -5.230 -11.229 -2.565 1.00 0.00 O ATOM 0 H TYR A 82 -4.843 -7.161 -8.826 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.132 -8.473 -7.490 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.912 -6.679 -6.634 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.484 -6.302 -5.956 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.807 -8.482 -5.049 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.576 -8.184 -5.457 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.523 -10.267 -3.387 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.289 -9.974 -3.800 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.063 -11.343 -2.061 1.00 0.00 H new ATOM 1264 N THR A 83 -8.807 -6.712 -7.991 1.00 0.00 N ATOM 1265 CA THR A 83 -9.824 -5.762 -8.427 1.00 0.00 C ATOM 1266 C THR A 83 -10.507 -5.108 -7.231 1.00 0.00 C ATOM 1267 O THR A 83 -10.760 -3.904 -7.230 1.00 0.00 O ATOM 1268 CB THR A 83 -10.864 -6.463 -9.303 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.325 -7.640 -9.878 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.379 -5.596 -10.431 1.00 0.00 C ATOM 0 H THR A 83 -9.176 -7.540 -7.523 1.00 0.00 H new ATOM 0 HA THR A 83 -9.332 -4.984 -9.011 1.00 0.00 H new ATOM 0 HB THR A 83 -11.694 -6.694 -8.636 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.006 -8.074 -10.433 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.113 -6.154 -11.013 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.847 -4.702 -10.018 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.549 -5.307 -11.076 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.800 -5.911 -6.213 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.453 -5.411 -5.009 1.00 0.00 C ATOM 1280 C GLU A 84 -10.465 -4.644 -4.135 1.00 0.00 C ATOM 1281 O GLU A 84 -10.818 -3.641 -3.516 1.00 0.00 O ATOM 1282 CB GLU A 84 -12.064 -6.568 -4.216 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.394 -7.049 -4.771 1.00 0.00 C ATOM 1284 CD GLU A 84 -13.555 -8.554 -4.679 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -12.774 -9.275 -5.335 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -14.461 -9.011 -3.952 1.00 0.00 O ATOM 0 H GLU A 84 -10.596 -6.910 -6.198 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.248 -4.730 -5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.361 -7.401 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.203 -6.255 -3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.206 -6.567 -4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.481 -6.741 -5.813 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.227 -5.125 -4.090 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.188 -4.485 -3.293 1.00 0.00 C ATOM 1295 C ALA A 85 -7.940 -3.056 -3.762 1.00 0.00 C ATOM 1296 O ALA A 85 -7.617 -2.177 -2.961 1.00 0.00 O ATOM 1297 CB ALA A 85 -6.901 -5.294 -3.356 1.00 0.00 C ATOM 0 H ALA A 85 -8.919 -5.955 -4.596 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.529 -4.446 -2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.134 -4.804 -2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.082 -6.296 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.564 -5.362 -4.390 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.091 -2.829 -5.062 1.00 0.00 N ATOM 1304 CA ILE A 86 -7.884 -1.505 -5.636 1.00 0.00 C ATOM 1305 C ILE A 86 -9.128 -0.636 -5.479 1.00 0.00 C ATOM 1306 O ILE A 86 -9.030 0.580 -5.324 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.517 -1.591 -7.130 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.396 -2.610 -7.345 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.105 -0.223 -7.654 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -5.983 -2.758 -8.793 1.00 0.00 C ATOM 0 H ILE A 86 -8.356 -3.545 -5.738 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.056 -1.051 -5.092 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.394 -1.922 -7.686 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.528 -2.313 -6.757 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.720 -3.580 -6.967 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.849 -0.300 -8.711 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.931 0.478 -7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.240 0.135 -7.096 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.185 -3.496 -8.870 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.838 -3.086 -9.384 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.628 -1.799 -9.170 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.295 -1.270 -5.521 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.558 -0.556 -5.383 1.00 0.00 C ATOM 1324 C GLU A 87 -11.700 0.034 -3.983 1.00 0.00 C ATOM 1325 O GLU A 87 -12.254 1.119 -3.809 1.00 0.00 O ATOM 1326 CB GLU A 87 -12.732 -1.491 -5.677 1.00 0.00 C ATOM 1327 CG GLU A 87 -13.003 -1.679 -7.160 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.483 -1.653 -7.491 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -15.137 -2.711 -7.369 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -14.987 -0.576 -7.869 1.00 0.00 O ATOM 0 H GLU A 87 -10.392 -2.277 -5.650 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.565 0.261 -6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.533 -2.463 -5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.629 -1.096 -5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.495 -0.894 -7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.578 -2.629 -7.486 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.193 -0.688 -2.989 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.264 -0.236 -1.604 1.00 0.00 C ATOM 1339 C VAL A 88 -10.564 1.107 -1.428 1.00 0.00 C ATOM 1340 O VAL A 88 -10.938 1.906 -0.570 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.629 -1.262 -0.645 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.894 -0.875 0.803 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.149 -2.663 -0.938 1.00 0.00 C ATOM 0 H VAL A 88 -10.729 -1.587 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.321 -0.127 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.551 -1.262 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.438 -1.611 1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.465 0.107 1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.969 -0.844 0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.689 -3.373 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.231 -2.683 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.899 -2.937 -1.963 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.545 1.350 -2.246 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.792 2.596 -2.180 1.00 0.00 C ATOM 1355 C ILE A 89 -9.479 3.696 -2.982 1.00 0.00 C ATOM 1356 O ILE A 89 -9.595 4.833 -2.523 1.00 0.00 O ATOM 1357 CB ILE A 89 -7.355 2.413 -2.707 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.699 1.196 -2.054 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -6.532 3.667 -2.450 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.508 0.666 -2.823 1.00 0.00 C ATOM 0 H ILE A 89 -9.222 0.700 -2.962 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.752 2.886 -1.130 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.398 2.245 -3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.381 1.462 -1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.440 0.403 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.520 3.522 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.991 4.514 -2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.494 3.864 -1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.093 -0.197 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.824 0.369 -3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.748 1.444 -2.899 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.932 3.352 -4.183 1.00 0.00 N ATOM 1373 CA GLN A 90 -10.607 4.311 -5.049 1.00 0.00 C ATOM 1374 C GLN A 90 -11.951 4.726 -4.458 1.00 0.00 C ATOM 1375 O GLN A 90 -12.388 5.865 -4.622 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.813 3.715 -6.443 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.525 3.562 -7.235 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.684 2.653 -8.437 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -10.000 1.471 -8.299 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -9.464 3.200 -9.627 1.00 0.00 N ATOM 0 H GLN A 90 -9.844 2.416 -4.579 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.976 5.196 -5.129 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.288 2.739 -6.345 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.501 4.349 -7.002 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.189 4.544 -7.569 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.747 3.164 -6.583 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.204 4.184 -9.696 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.555 2.636 -10.472 1.00 0.00 H new ATOM 1389 N ALA A 91 -12.602 3.793 -3.771 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.897 4.062 -3.155 1.00 0.00 C ATOM 1391 C ALA A 91 -13.798 5.199 -2.144 1.00 0.00 C ATOM 1392 O ALA A 91 -14.668 6.069 -2.086 1.00 0.00 O ATOM 1393 CB ALA A 91 -14.434 2.805 -2.489 1.00 0.00 C ATOM 0 H ALA A 91 -12.255 2.845 -3.627 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.589 4.368 -3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.401 3.019 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.551 2.019 -3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -13.736 2.474 -1.720 1.00 0.00 H new ATOM 1399 N ALA A 92 -12.735 5.185 -1.347 1.00 0.00 N ATOM 1400 CA ALA A 92 -12.523 6.214 -0.338 1.00 0.00 C ATOM 1401 C ALA A 92 -11.923 7.474 -0.955 1.00 0.00 C ATOM 1402 O ALA A 92 -12.457 8.571 -0.793 1.00 0.00 O ATOM 1403 CB ALA A 92 -11.625 5.689 0.772 1.00 0.00 C ATOM 0 H ALA A 92 -12.007 4.472 -1.381 1.00 0.00 H new ATOM 0 HA ALA A 92 -13.492 6.475 0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.476 6.469 1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.094 4.823 1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.662 5.398 0.354 1.00 0.00 H new ATOM 1409 N SER A 93 -10.810 7.307 -1.663 1.00 0.00 N ATOM 1410 CA SER A 93 -10.138 8.430 -2.305 1.00 0.00 C ATOM 1411 C SER A 93 -10.858 8.836 -3.587 1.00 0.00 C ATOM 1412 O SER A 93 -11.116 8.003 -4.457 1.00 0.00 O ATOM 1413 CB SER A 93 -8.684 8.071 -2.616 1.00 0.00 C ATOM 1414 OG SER A 93 -7.869 9.231 -2.653 1.00 0.00 O ATOM 0 H SER A 93 -10.355 6.405 -1.806 1.00 0.00 H new ATOM 0 HA SER A 93 -10.158 9.274 -1.616 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.307 7.382 -1.861 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.631 7.554 -3.574 1.00 0.00 H new ATOM 0 HG SER A 93 -6.944 8.975 -2.852 1.00 0.00 H new ATOM 1420 N SER A 94 -11.182 10.120 -3.697 1.00 0.00 N ATOM 1421 CA SER A 94 -11.872 10.637 -4.873 1.00 0.00 C ATOM 1422 C SER A 94 -11.961 12.159 -4.826 1.00 0.00 C ATOM 1423 O SER A 94 -12.038 12.754 -3.751 1.00 0.00 O ATOM 1424 CB SER A 94 -13.275 10.035 -4.971 1.00 0.00 C ATOM 1425 OG SER A 94 -13.287 8.905 -5.826 1.00 0.00 O ATOM 0 H SER A 94 -10.978 10.822 -2.986 1.00 0.00 H new ATOM 0 HA SER A 94 -11.299 10.352 -5.755 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.621 9.747 -3.978 1.00 0.00 H new ATOM 0 HB3 SER A 94 -13.971 10.786 -5.346 1.00 0.00 H new ATOM 0 HG SER A 94 -12.551 8.304 -5.585 1.00 0.00 H new ATOM 1431 N SER A 95 -11.948 12.783 -6.000 1.00 0.00 N ATOM 1432 CA SER A 95 -12.027 14.236 -6.093 1.00 0.00 C ATOM 1433 C SER A 95 -13.435 14.681 -6.480 1.00 0.00 C ATOM 1434 O SER A 95 -13.944 15.678 -5.969 1.00 0.00 O ATOM 1435 CB SER A 95 -11.011 14.758 -7.112 1.00 0.00 C ATOM 1436 OG SER A 95 -10.016 15.545 -6.483 1.00 0.00 O ATOM 0 H SER A 95 -11.884 12.305 -6.899 1.00 0.00 H new ATOM 0 HA SER A 95 -11.793 14.653 -5.113 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.543 13.919 -7.627 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.523 15.351 -7.870 1.00 0.00 H new ATOM 0 HG SER A 95 -9.379 15.865 -7.155 1.00 0.00 H new ATOM 1442 N GLY A 96 -14.058 13.934 -7.385 1.00 0.00 N ATOM 1443 CA GLY A 96 -15.401 14.267 -7.825 1.00 0.00 C ATOM 1444 C GLY A 96 -16.337 13.071 -7.788 1.00 0.00 C ATOM 1445 O GLY A 96 -15.930 11.956 -8.111 1.00 0.00 O ATOM 0 H GLY A 96 -13.657 13.104 -7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -15.802 15.058 -7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.360 14.661 -8.840 1.00 0.00 H new ATOM 1449 N PRO A 97 -17.607 13.274 -7.395 1.00 0.00 N ATOM 1450 CA PRO A 97 -18.592 12.190 -7.323 1.00 0.00 C ATOM 1451 C PRO A 97 -19.082 11.760 -8.701 1.00 0.00 C ATOM 1452 O PRO A 97 -19.388 12.596 -9.552 1.00 0.00 O ATOM 1453 CB PRO A 97 -19.733 12.809 -6.518 1.00 0.00 C ATOM 1454 CG PRO A 97 -19.646 14.268 -6.805 1.00 0.00 C ATOM 1455 CD PRO A 97 -18.184 14.571 -6.990 1.00 0.00 C ATOM 0 HA PRO A 97 -18.176 11.287 -6.877 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -20.698 12.402 -6.821 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -19.622 12.607 -5.453 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -20.213 14.523 -7.700 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -20.064 14.852 -5.985 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -18.026 15.335 -7.752 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.732 14.941 -6.070 1.00 0.00 H new ATOM 1463 N SER A 98 -19.156 10.450 -8.916 1.00 0.00 N ATOM 1464 CA SER A 98 -19.611 9.909 -10.191 1.00 0.00 C ATOM 1465 C SER A 98 -20.012 8.444 -10.050 1.00 0.00 C ATOM 1466 O SER A 98 -19.208 7.609 -9.636 1.00 0.00 O ATOM 1467 CB SER A 98 -18.515 10.051 -11.249 1.00 0.00 C ATOM 1468 OG SER A 98 -17.442 9.162 -10.994 1.00 0.00 O ATOM 0 H SER A 98 -18.907 9.744 -8.223 1.00 0.00 H new ATOM 0 HA SER A 98 -20.487 10.477 -10.506 1.00 0.00 H new ATOM 0 HB2 SER A 98 -18.930 9.851 -12.237 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.147 11.077 -11.260 1.00 0.00 H new ATOM 0 HG SER A 98 -17.727 8.482 -10.348 1.00 0.00 H new ATOM 1474 N SER A 99 -21.258 8.141 -10.396 1.00 0.00 N ATOM 1475 CA SER A 99 -21.765 6.776 -10.308 1.00 0.00 C ATOM 1476 C SER A 99 -21.075 5.871 -11.322 1.00 0.00 C ATOM 1477 O SER A 99 -21.547 5.711 -12.448 1.00 0.00 O ATOM 1478 CB SER A 99 -23.277 6.756 -10.534 1.00 0.00 C ATOM 1479 OG SER A 99 -23.830 5.499 -10.182 1.00 0.00 O ATOM 0 H SER A 99 -21.936 8.821 -10.740 1.00 0.00 H new ATOM 0 HA SER A 99 -21.549 6.399 -9.308 1.00 0.00 H new ATOM 0 HB2 SER A 99 -23.747 7.542 -9.942 1.00 0.00 H new ATOM 0 HB3 SER A 99 -23.494 6.972 -11.580 1.00 0.00 H new ATOM 0 HG SER A 99 -24.798 5.513 -10.334 1.00 0.00 H new ATOM 1485 N GLY A 100 -19.954 5.284 -10.917 1.00 0.00 N ATOM 1486 CA GLY A 100 -19.215 4.404 -11.803 1.00 0.00 C ATOM 1487 C GLY A 100 -18.020 3.767 -11.123 1.00 0.00 C ATOM 1488 O GLY A 100 -17.734 4.130 -9.963 1.00 0.00 O ATOM 1489 OXT GLY A 100 -17.370 2.903 -11.749 1.00 0.00 O ATOM 0 H GLY A 100 -19.544 5.402 -9.991 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -19.879 3.622 -12.170 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.876 4.969 -12.672 1.00 0.00 H new TER 1493 GLY A 100