USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 706 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 72 GLN : amide:sc= 0.396 K(o=-4.2,f=-7.5) USER MOD Set 1.2: A 75 ASN : amide:sc= -4.55! C(o=-4.2!,f=-7.5!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.07! C(o=-1.1!,f=-8.2!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -68:sc= 1.17 USER MOD Single : A 23 ASN : amide:sc= 0.16 X(o=0.16,f=0) USER MOD Single : A 24 GLN : amide:sc= -2.8! K(o=-2.8!,f=-0.42) USER MOD Single : A 25 GLN : amide:sc= -1.2 K(o=-1.2,f=-4.6!) USER MOD Single : A 28 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.0022) USER MOD Single : A 33 SER OG : rot 180:sc= -0.902 USER MOD Single : A 37 MET CE :methyl -126:sc= -7.87! (180deg=-13.7!) USER MOD Single : A 39 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0.779 K(o=0.78,f=0) USER MOD Single : A 48 TYR OH : rot -159:sc= 0.196 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 130:sc= -1.59 USER MOD Single : A 54 GLN : amide:sc=-0.000229 X(o=-0.00023,f=-0.14) USER MOD Single : A 55 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.13) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 165:sc=-0.00327 (180deg=-0.0914) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.6!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 30:sc= -0.52 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 3.795 23.176 -7.613 1.00 0.00 N ATOM 63 CA LYS A 5 3.892 21.826 -8.173 1.00 0.00 C ATOM 64 C LYS A 5 4.471 20.851 -7.152 1.00 0.00 C ATOM 65 O LYS A 5 4.163 19.659 -7.166 1.00 0.00 O ATOM 66 CB LYS A 5 4.756 21.835 -9.437 1.00 0.00 C ATOM 67 CG LYS A 5 6.177 22.322 -9.199 1.00 0.00 C ATOM 68 CD LYS A 5 7.197 21.416 -9.871 1.00 0.00 C ATOM 69 CE LYS A 5 7.463 20.169 -9.042 1.00 0.00 C ATOM 70 NZ LYS A 5 7.506 18.941 -9.883 1.00 0.00 N ATOM 0 HA LYS A 5 2.886 21.495 -8.432 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.791 20.827 -9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.283 22.471 -10.186 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.283 23.337 -9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.374 22.362 -8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.836 21.128 -10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.129 21.962 -10.019 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.410 20.280 -8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.686 20.064 -8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.689 18.114 -9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.594 18.820 -10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.265 19.030 -10.589 1.00 0.00 H new ATOM 84 N ALA A 6 5.325 21.369 -6.275 1.00 0.00 N ATOM 85 CA ALA A 6 5.963 20.542 -5.258 1.00 0.00 C ATOM 86 C ALA A 6 4.919 19.719 -4.508 1.00 0.00 C ATOM 87 O ALA A 6 5.194 18.603 -4.067 1.00 0.00 O ATOM 88 CB ALA A 6 6.762 21.403 -4.289 1.00 0.00 C ATOM 0 H ALA A 6 5.590 22.354 -6.248 1.00 0.00 H new ATOM 0 HA ALA A 6 6.651 19.858 -5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.230 20.767 -3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.533 21.946 -4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.096 22.113 -3.799 1.00 0.00 H new ATOM 94 N ASN A 7 3.711 20.265 -4.389 1.00 0.00 N ATOM 95 CA ASN A 7 2.628 19.560 -3.715 1.00 0.00 C ATOM 96 C ASN A 7 2.226 18.325 -4.523 1.00 0.00 C ATOM 97 O ASN A 7 2.090 17.223 -3.980 1.00 0.00 O ATOM 98 CB ASN A 7 1.426 20.497 -3.510 1.00 0.00 C ATOM 99 CG ASN A 7 0.638 20.762 -4.783 1.00 0.00 C ATOM 100 OD1 ASN A 7 1.185 20.752 -5.884 1.00 0.00 O ATOM 101 ND2 ASN A 7 -0.658 21.012 -4.633 1.00 0.00 N ATOM 0 H ASN A 7 3.460 21.186 -4.748 1.00 0.00 H new ATOM 0 HA ASN A 7 2.973 19.233 -2.734 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.760 20.063 -2.764 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.780 21.446 -3.107 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.238 21.205 -5.450 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.073 21.011 -3.701 1.00 0.00 H new ATOM 108 N LYS A 8 2.063 18.514 -5.829 1.00 0.00 N ATOM 109 CA LYS A 8 1.703 17.423 -6.720 1.00 0.00 C ATOM 110 C LYS A 8 2.847 16.426 -6.804 1.00 0.00 C ATOM 111 O LYS A 8 2.630 15.216 -6.871 1.00 0.00 O ATOM 112 CB LYS A 8 1.366 17.957 -8.114 1.00 0.00 C ATOM 113 CG LYS A 8 0.356 17.103 -8.864 1.00 0.00 C ATOM 114 CD LYS A 8 0.472 17.294 -10.368 1.00 0.00 C ATOM 115 CE LYS A 8 -0.138 18.615 -10.809 1.00 0.00 C ATOM 116 NZ LYS A 8 -1.567 18.467 -11.198 1.00 0.00 N ATOM 0 H LYS A 8 2.176 19.416 -6.292 1.00 0.00 H new ATOM 0 HA LYS A 8 0.821 16.922 -6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.975 18.970 -8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.282 18.021 -8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.511 16.053 -8.617 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.652 17.361 -8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.522 17.261 -10.660 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.028 16.472 -10.880 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.056 19.340 -10.000 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.428 19.012 -11.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.944 19.391 -11.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.644 17.794 -11.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.113 18.112 -10.387 1.00 0.00 H new ATOM 130 N ASP A 9 4.072 16.945 -6.781 1.00 0.00 N ATOM 131 CA ASP A 9 5.255 16.099 -6.835 1.00 0.00 C ATOM 132 C ASP A 9 5.279 15.174 -5.627 1.00 0.00 C ATOM 133 O ASP A 9 5.668 14.012 -5.729 1.00 0.00 O ATOM 134 CB ASP A 9 6.525 16.952 -6.870 1.00 0.00 C ATOM 135 CG ASP A 9 7.730 16.174 -7.364 1.00 0.00 C ATOM 136 OD1 ASP A 9 7.683 15.664 -8.502 1.00 0.00 O ATOM 137 OD2 ASP A 9 8.722 16.076 -6.611 1.00 0.00 O ATOM 0 H ASP A 9 4.268 17.944 -6.725 1.00 0.00 H new ATOM 0 HA ASP A 9 5.218 15.501 -7.746 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.363 17.814 -7.517 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.729 17.337 -5.871 1.00 0.00 H new ATOM 142 N LEU A 10 4.845 15.697 -4.484 1.00 0.00 N ATOM 143 CA LEU A 10 4.801 14.919 -3.255 1.00 0.00 C ATOM 144 C LEU A 10 3.761 13.808 -3.363 1.00 0.00 C ATOM 145 O LEU A 10 4.029 12.659 -3.008 1.00 0.00 O ATOM 146 CB LEU A 10 4.481 15.823 -2.063 1.00 0.00 C ATOM 147 CG LEU A 10 5.089 15.380 -0.730 1.00 0.00 C ATOM 148 CD1 LEU A 10 4.427 14.103 -0.240 1.00 0.00 C ATOM 149 CD2 LEU A 10 6.592 15.186 -0.869 1.00 0.00 C ATOM 0 H LEU A 10 4.519 16.658 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 10 5.781 14.467 -3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.831 16.831 -2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.398 15.879 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 10 4.911 16.162 0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.872 13.803 0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.360 14.276 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.573 13.312 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.008 14.871 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.792 14.423 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.053 16.125 -1.174 1.00 0.00 H new ATOM 161 N ILE A 11 2.578 14.151 -3.868 1.00 0.00 N ATOM 162 CA ILE A 11 1.507 13.169 -4.030 1.00 0.00 C ATOM 163 C ILE A 11 1.922 12.073 -5.008 1.00 0.00 C ATOM 164 O ILE A 11 1.816 10.886 -4.702 1.00 0.00 O ATOM 165 CB ILE A 11 0.206 13.832 -4.529 1.00 0.00 C ATOM 166 CG1 ILE A 11 -0.193 14.982 -3.600 1.00 0.00 C ATOM 167 CG2 ILE A 11 -0.916 12.806 -4.627 1.00 0.00 C ATOM 168 CD1 ILE A 11 -0.595 14.530 -2.212 1.00 0.00 C ATOM 0 H ILE A 11 2.337 15.095 -4.170 1.00 0.00 H new ATOM 0 HA ILE A 11 1.322 12.729 -3.050 1.00 0.00 H new ATOM 0 HB ILE A 11 0.383 14.237 -5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.642 15.678 -3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.022 15.529 -4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.825 13.293 -4.981 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.630 12.020 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.097 12.370 -3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.864 15.398 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.450 13.857 -2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.240 14.009 -1.743 1.00 0.00 H new ATOM 180 N SER A 12 2.394 12.473 -6.185 1.00 0.00 N ATOM 181 CA SER A 12 2.821 11.514 -7.196 1.00 0.00 C ATOM 182 C SER A 12 4.052 10.743 -6.730 1.00 0.00 C ATOM 183 O SER A 12 4.155 9.535 -6.944 1.00 0.00 O ATOM 184 CB SER A 12 3.120 12.233 -8.514 1.00 0.00 C ATOM 185 OG SER A 12 2.083 12.024 -9.457 1.00 0.00 O ATOM 0 H SER A 12 2.490 13.450 -6.461 1.00 0.00 H new ATOM 0 HA SER A 12 2.010 10.803 -7.354 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.239 13.301 -8.330 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.064 11.873 -8.922 1.00 0.00 H new ATOM 0 HG SER A 12 2.298 12.495 -10.289 1.00 0.00 H new ATOM 191 N ALA A 13 4.979 11.443 -6.084 1.00 0.00 N ATOM 192 CA ALA A 13 6.192 10.810 -5.581 1.00 0.00 C ATOM 193 C ALA A 13 5.844 9.779 -4.519 1.00 0.00 C ATOM 194 O ALA A 13 6.368 8.666 -4.519 1.00 0.00 O ATOM 195 CB ALA A 13 7.147 11.853 -5.020 1.00 0.00 C ATOM 0 H ALA A 13 4.914 12.444 -5.897 1.00 0.00 H new ATOM 0 HA ALA A 13 6.689 10.304 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.046 11.361 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.417 12.559 -5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.663 12.387 -4.203 1.00 0.00 H new ATOM 201 N GLY A 14 4.935 10.153 -3.623 1.00 0.00 N ATOM 202 CA GLY A 14 4.512 9.245 -2.578 1.00 0.00 C ATOM 203 C GLY A 14 3.741 8.074 -3.148 1.00 0.00 C ATOM 204 O GLY A 14 3.918 6.933 -2.720 1.00 0.00 O ATOM 0 H GLY A 14 4.486 11.068 -3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.384 8.880 -2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.890 9.778 -1.859 1.00 0.00 H new ATOM 208 N LEU A 15 2.892 8.362 -4.129 1.00 0.00 N ATOM 209 CA LEU A 15 2.096 7.331 -4.779 1.00 0.00 C ATOM 210 C LEU A 15 2.992 6.380 -5.569 1.00 0.00 C ATOM 211 O LEU A 15 2.772 5.168 -5.582 1.00 0.00 O ATOM 212 CB LEU A 15 1.074 7.980 -5.718 1.00 0.00 C ATOM 213 CG LEU A 15 -0.371 7.982 -5.216 1.00 0.00 C ATOM 214 CD1 LEU A 15 -0.656 9.237 -4.406 1.00 0.00 C ATOM 215 CD2 LEU A 15 -1.338 7.868 -6.389 1.00 0.00 C ATOM 0 H LEU A 15 2.738 9.303 -4.491 1.00 0.00 H new ATOM 0 HA LEU A 15 1.573 6.760 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.378 9.010 -5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.107 7.462 -6.677 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.513 7.119 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.689 9.219 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.015 9.276 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.499 10.117 -5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.363 7.871 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.194 8.713 -7.063 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.150 6.939 -6.927 1.00 0.00 H new ATOM 227 N LYS A 16 4.006 6.939 -6.226 1.00 0.00 N ATOM 228 CA LYS A 16 4.936 6.141 -7.017 1.00 0.00 C ATOM 229 C LYS A 16 5.827 5.301 -6.111 1.00 0.00 C ATOM 230 O LYS A 16 5.917 4.084 -6.270 1.00 0.00 O ATOM 231 CB LYS A 16 5.794 7.047 -7.906 1.00 0.00 C ATOM 232 CG LYS A 16 6.814 6.292 -8.744 1.00 0.00 C ATOM 233 CD LYS A 16 8.087 7.102 -8.931 1.00 0.00 C ATOM 234 CE LYS A 16 9.258 6.216 -9.323 1.00 0.00 C ATOM 235 NZ LYS A 16 9.143 5.732 -10.727 1.00 0.00 N ATOM 0 H LYS A 16 4.203 7.940 -6.226 1.00 0.00 H new ATOM 0 HA LYS A 16 4.357 5.471 -7.653 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.141 7.615 -8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.316 7.769 -7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.052 5.343 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.384 6.057 -9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.929 7.859 -9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.322 7.630 -8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.189 6.771 -9.206 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.309 5.362 -8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.961 5.131 -10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.268 5.180 -10.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.120 6.546 -11.374 1.00 0.00 H new ATOM 249 N GLU A 17 6.477 5.957 -5.153 1.00 0.00 N ATOM 250 CA GLU A 17 7.350 5.262 -4.217 1.00 0.00 C ATOM 251 C GLU A 17 6.605 4.105 -3.562 1.00 0.00 C ATOM 252 O GLU A 17 7.158 3.020 -3.378 1.00 0.00 O ATOM 253 CB GLU A 17 7.864 6.227 -3.147 1.00 0.00 C ATOM 254 CG GLU A 17 9.286 5.931 -2.694 1.00 0.00 C ATOM 255 CD GLU A 17 9.485 6.166 -1.209 1.00 0.00 C ATOM 256 OE1 GLU A 17 8.747 5.556 -0.406 1.00 0.00 O ATOM 257 OE2 GLU A 17 10.380 6.959 -0.847 1.00 0.00 O ATOM 0 H GLU A 17 6.415 6.965 -5.006 1.00 0.00 H new ATOM 0 HA GLU A 17 8.203 4.867 -4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.819 7.244 -3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.200 6.186 -2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.531 4.895 -2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.980 6.558 -3.254 1.00 0.00 H new ATOM 264 N PHE A 18 5.344 4.346 -3.217 1.00 0.00 N ATOM 265 CA PHE A 18 4.517 3.325 -2.590 1.00 0.00 C ATOM 266 C PHE A 18 4.292 2.156 -3.537 1.00 0.00 C ATOM 267 O PHE A 18 4.460 0.997 -3.158 1.00 0.00 O ATOM 268 CB PHE A 18 3.171 3.913 -2.157 1.00 0.00 C ATOM 269 CG PHE A 18 2.569 3.216 -0.970 1.00 0.00 C ATOM 270 CD1 PHE A 18 2.872 3.627 0.318 1.00 0.00 C ATOM 271 CD2 PHE A 18 1.702 2.149 -1.143 1.00 0.00 C ATOM 272 CE1 PHE A 18 2.321 2.987 1.412 1.00 0.00 C ATOM 273 CE2 PHE A 18 1.148 1.506 -0.052 1.00 0.00 C ATOM 274 CZ PHE A 18 1.458 1.925 1.227 1.00 0.00 C ATOM 0 H PHE A 18 4.874 5.240 -3.362 1.00 0.00 H new ATOM 0 HA PHE A 18 5.043 2.962 -1.707 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.304 4.969 -1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.474 3.859 -2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.546 4.457 0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.457 1.816 -2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.565 3.317 2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.473 0.676 -0.200 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.026 1.423 2.080 1.00 0.00 H new ATOM 284 N SER A 19 3.922 2.465 -4.775 1.00 0.00 N ATOM 285 CA SER A 19 3.683 1.436 -5.783 1.00 0.00 C ATOM 286 C SER A 19 4.902 0.534 -5.936 1.00 0.00 C ATOM 287 O SER A 19 4.773 -0.682 -6.081 1.00 0.00 O ATOM 288 CB SER A 19 3.336 2.078 -7.127 1.00 0.00 C ATOM 289 OG SER A 19 4.497 2.565 -7.776 1.00 0.00 O ATOM 0 H SER A 19 3.781 3.420 -5.106 1.00 0.00 H new ATOM 0 HA SER A 19 2.841 0.827 -5.453 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.839 1.347 -7.765 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.633 2.896 -6.972 1.00 0.00 H new ATOM 0 HG SER A 19 4.860 3.323 -7.272 1.00 0.00 H new ATOM 295 N VAL A 20 6.085 1.136 -5.894 1.00 0.00 N ATOM 296 CA VAL A 20 7.328 0.384 -6.019 1.00 0.00 C ATOM 297 C VAL A 20 7.566 -0.452 -4.769 1.00 0.00 C ATOM 298 O VAL A 20 8.079 -1.569 -4.841 1.00 0.00 O ATOM 299 CB VAL A 20 8.541 1.310 -6.239 1.00 0.00 C ATOM 300 CG1 VAL A 20 9.699 0.536 -6.850 1.00 0.00 C ATOM 301 CG2 VAL A 20 8.163 2.498 -7.113 1.00 0.00 C ATOM 0 H VAL A 20 6.210 2.141 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 20 7.225 -0.263 -6.890 1.00 0.00 H new ATOM 0 HB VAL A 20 8.859 1.693 -5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.546 1.206 -6.998 1.00 0.00 H new ATOM 0 HG12 VAL A 20 9.989 -0.274 -6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.393 0.121 -7.810 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.034 3.137 -7.255 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.814 2.141 -8.082 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.370 3.068 -6.629 1.00 0.00 H new ATOM 311 N LEU A 21 7.179 0.100 -3.626 1.00 0.00 N ATOM 312 CA LEU A 21 7.336 -0.588 -2.349 1.00 0.00 C ATOM 313 C LEU A 21 6.552 -1.896 -2.351 1.00 0.00 C ATOM 314 O LEU A 21 7.080 -2.950 -1.996 1.00 0.00 O ATOM 315 CB LEU A 21 6.861 0.308 -1.202 1.00 0.00 C ATOM 316 CG LEU A 21 6.772 -0.372 0.167 1.00 0.00 C ATOM 317 CD1 LEU A 21 8.090 -1.045 0.518 1.00 0.00 C ATOM 318 CD2 LEU A 21 6.386 0.638 1.236 1.00 0.00 C ATOM 0 H LEU A 21 6.753 1.024 -3.556 1.00 0.00 H new ATOM 0 HA LEU A 21 8.393 -0.814 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.538 1.159 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.878 0.705 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 21 5.999 -1.139 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.006 -1.522 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.326 -1.797 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.884 -0.298 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.327 0.139 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.137 1.427 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.417 1.073 0.992 1.00 0.00 H new ATOM 330 N LEU A 22 5.289 -1.819 -2.756 1.00 0.00 N ATOM 331 CA LEU A 22 4.434 -2.995 -2.810 1.00 0.00 C ATOM 332 C LEU A 22 4.880 -3.933 -3.926 1.00 0.00 C ATOM 333 O LEU A 22 4.893 -5.152 -3.759 1.00 0.00 O ATOM 334 CB LEU A 22 2.977 -2.586 -3.024 1.00 0.00 C ATOM 335 CG LEU A 22 2.508 -1.388 -2.195 1.00 0.00 C ATOM 336 CD1 LEU A 22 1.035 -1.108 -2.450 1.00 0.00 C ATOM 337 CD2 LEU A 22 2.765 -1.627 -0.712 1.00 0.00 C ATOM 0 H LEU A 22 4.836 -0.954 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 22 4.517 -3.520 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.832 -2.356 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.339 -3.439 -2.793 1.00 0.00 H new ATOM 0 HG LEU A 22 3.080 -0.512 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.718 -0.253 -1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.884 -0.888 -3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.445 -1.982 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.425 -0.764 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.222 -2.515 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.832 -1.774 -0.547 1.00 0.00 H new ATOM 349 N ASN A 23 5.245 -3.353 -5.065 1.00 0.00 N ATOM 350 CA ASN A 23 5.695 -4.134 -6.211 1.00 0.00 C ATOM 351 C ASN A 23 7.018 -4.830 -5.904 1.00 0.00 C ATOM 352 O ASN A 23 7.227 -5.982 -6.281 1.00 0.00 O ATOM 353 CB ASN A 23 5.848 -3.234 -7.440 1.00 0.00 C ATOM 354 CG ASN A 23 4.600 -3.215 -8.300 1.00 0.00 C ATOM 355 OD1 ASN A 23 4.615 -3.664 -9.447 1.00 0.00 O ATOM 356 ND2 ASN A 23 3.508 -2.695 -7.750 1.00 0.00 N ATOM 0 H ASN A 23 5.238 -2.345 -5.219 1.00 0.00 H new ATOM 0 HA ASN A 23 4.944 -4.896 -6.421 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.079 -2.219 -7.117 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.692 -3.579 -8.037 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.638 -2.657 -8.281 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.540 -2.334 -6.796 1.00 0.00 H new ATOM 363 N GLN A 24 7.910 -4.118 -5.220 1.00 0.00 N ATOM 364 CA GLN A 24 9.218 -4.664 -4.864 1.00 0.00 C ATOM 365 C GLN A 24 9.130 -5.615 -3.668 1.00 0.00 C ATOM 366 O GLN A 24 10.101 -5.787 -2.931 1.00 0.00 O ATOM 367 CB GLN A 24 10.202 -3.529 -4.561 1.00 0.00 C ATOM 368 CG GLN A 24 10.003 -2.882 -3.198 1.00 0.00 C ATOM 369 CD GLN A 24 10.855 -1.642 -3.010 1.00 0.00 C ATOM 370 OE1 GLN A 24 11.658 -1.562 -2.082 1.00 0.00 O ATOM 371 NE2 GLN A 24 10.682 -0.664 -3.893 1.00 0.00 N ATOM 0 H GLN A 24 7.752 -3.162 -4.901 1.00 0.00 H new ATOM 0 HA GLN A 24 9.579 -5.237 -5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.218 -3.918 -4.622 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.107 -2.764 -5.332 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.953 -2.618 -3.075 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.243 -3.605 -2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.005 -0.772 -4.648 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.227 0.195 -3.816 1.00 0.00 H new ATOM 380 N GLN A 25 7.969 -6.238 -3.487 1.00 0.00 N ATOM 381 CA GLN A 25 7.771 -7.175 -2.390 1.00 0.00 C ATOM 382 C GLN A 25 8.150 -8.587 -2.825 1.00 0.00 C ATOM 383 O GLN A 25 8.150 -8.901 -4.015 1.00 0.00 O ATOM 384 CB GLN A 25 6.322 -7.140 -1.906 1.00 0.00 C ATOM 385 CG GLN A 25 6.119 -7.782 -0.542 1.00 0.00 C ATOM 386 CD GLN A 25 6.708 -6.955 0.585 1.00 0.00 C ATOM 387 OE1 GLN A 25 7.553 -6.089 0.359 1.00 0.00 O ATOM 388 NE2 GLN A 25 6.263 -7.219 1.808 1.00 0.00 N ATOM 0 H GLN A 25 7.153 -6.110 -4.086 1.00 0.00 H new ATOM 0 HA GLN A 25 8.417 -6.878 -1.564 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.987 -6.104 -1.864 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.692 -7.649 -2.635 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.053 -7.923 -0.366 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.576 -8.772 -0.539 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.562 -7.946 1.950 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.623 -6.695 2.606 1.00 0.00 H new ATOM 397 N VAL A 26 8.490 -9.427 -1.857 1.00 0.00 N ATOM 398 CA VAL A 26 8.892 -10.801 -2.137 1.00 0.00 C ATOM 399 C VAL A 26 7.764 -11.615 -2.768 1.00 0.00 C ATOM 400 O VAL A 26 6.773 -11.938 -2.113 1.00 0.00 O ATOM 401 CB VAL A 26 9.363 -11.517 -0.856 1.00 0.00 C ATOM 402 CG1 VAL A 26 9.917 -12.895 -1.185 1.00 0.00 C ATOM 403 CG2 VAL A 26 10.403 -10.679 -0.125 1.00 0.00 C ATOM 0 H VAL A 26 8.496 -9.181 -0.867 1.00 0.00 H new ATOM 0 HA VAL A 26 9.717 -10.736 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 26 8.503 -11.643 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.244 -13.384 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.141 -13.495 -1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.764 -12.794 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.723 -11.201 0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.263 -10.518 -0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.969 -9.717 0.148 1.00 0.00 H new ATOM 413 N PHE A 27 7.950 -11.985 -4.034 1.00 0.00 N ATOM 414 CA PHE A 27 6.976 -12.811 -4.744 1.00 0.00 C ATOM 415 C PHE A 27 7.691 -13.841 -5.611 1.00 0.00 C ATOM 416 O PHE A 27 7.909 -13.618 -6.801 1.00 0.00 O ATOM 417 CB PHE A 27 6.054 -11.969 -5.629 1.00 0.00 C ATOM 418 CG PHE A 27 5.093 -11.092 -4.877 1.00 0.00 C ATOM 419 CD1 PHE A 27 4.020 -11.643 -4.195 1.00 0.00 C ATOM 420 CD2 PHE A 27 5.250 -9.716 -4.871 1.00 0.00 C ATOM 421 CE1 PHE A 27 3.124 -10.838 -3.521 1.00 0.00 C ATOM 422 CE2 PHE A 27 4.358 -8.906 -4.195 1.00 0.00 C ATOM 423 CZ PHE A 27 3.293 -9.467 -3.520 1.00 0.00 C ATOM 0 H PHE A 27 8.766 -11.726 -4.589 1.00 0.00 H new ATOM 0 HA PHE A 27 6.368 -13.312 -3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.667 -11.342 -6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.486 -12.636 -6.277 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.883 -12.714 -4.191 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.079 -9.271 -5.401 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.291 -11.280 -2.995 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.494 -7.835 -4.195 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.593 -8.836 -2.992 1.00 0.00 H new ATOM 433 N ASN A 28 8.045 -14.970 -5.015 1.00 0.00 N ATOM 434 CA ASN A 28 8.726 -16.034 -5.739 1.00 0.00 C ATOM 435 C ASN A 28 8.516 -17.374 -5.048 1.00 0.00 C ATOM 436 O ASN A 28 7.926 -18.295 -5.614 1.00 0.00 O ATOM 437 CB ASN A 28 10.221 -15.732 -5.852 1.00 0.00 C ATOM 438 CG ASN A 28 10.587 -15.112 -7.186 1.00 0.00 C ATOM 439 OD1 ASN A 28 10.787 -15.815 -8.176 1.00 0.00 O ATOM 440 ND2 ASN A 28 10.674 -13.787 -7.219 1.00 0.00 N ATOM 0 H ASN A 28 7.872 -15.173 -4.031 1.00 0.00 H new ATOM 0 HA ASN A 28 8.301 -16.089 -6.741 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.514 -15.057 -5.048 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.786 -16.654 -5.716 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.915 -13.313 -8.090 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.500 -13.243 -6.374 1.00 0.00 H new ATOM 447 N ASP A 29 9.002 -17.473 -3.818 1.00 0.00 N ATOM 448 CA ASP A 29 8.872 -18.697 -3.038 1.00 0.00 C ATOM 449 C ASP A 29 8.234 -18.421 -1.677 1.00 0.00 C ATOM 450 O ASP A 29 8.887 -17.906 -0.776 1.00 0.00 O ATOM 451 CB ASP A 29 10.243 -19.347 -2.845 1.00 0.00 C ATOM 452 CG ASP A 29 10.145 -20.764 -2.317 1.00 0.00 C ATOM 453 OD1 ASP A 29 9.923 -20.930 -1.099 1.00 0.00 O ATOM 454 OD2 ASP A 29 10.290 -21.708 -3.122 1.00 0.00 O ATOM 0 H ASP A 29 9.491 -16.718 -3.337 1.00 0.00 H new ATOM 0 HA ASP A 29 8.223 -19.378 -3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.776 -19.353 -3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.833 -18.745 -2.153 1.00 0.00 H new ATOM 459 N ALA A 30 6.937 -18.686 -1.563 1.00 0.00 N ATOM 460 CA ALA A 30 6.206 -18.380 -0.336 1.00 0.00 C ATOM 461 C ALA A 30 6.584 -19.300 0.820 1.00 0.00 C ATOM 462 O ALA A 30 6.129 -20.440 0.925 1.00 0.00 O ATOM 463 CB ALA A 30 4.707 -18.461 -0.590 1.00 0.00 C ATOM 0 H ALA A 30 6.372 -19.109 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 30 6.482 -17.367 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.169 -18.232 0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.429 -17.743 -1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.448 -19.467 -0.921 1.00 0.00 H new ATOM 469 N LEU A 31 7.433 -18.750 1.685 1.00 0.00 N ATOM 470 CA LEU A 31 7.925 -19.441 2.870 1.00 0.00 C ATOM 471 C LEU A 31 7.773 -18.549 4.100 1.00 0.00 C ATOM 472 O LEU A 31 8.634 -18.535 4.982 1.00 0.00 O ATOM 473 CB LEU A 31 9.396 -19.828 2.685 1.00 0.00 C ATOM 474 CG LEU A 31 10.390 -18.658 2.710 1.00 0.00 C ATOM 475 CD1 LEU A 31 11.793 -19.155 3.021 1.00 0.00 C ATOM 476 CD2 LEU A 31 10.375 -17.913 1.383 1.00 0.00 C ATOM 0 H LEU A 31 7.801 -17.804 1.581 1.00 0.00 H new ATOM 0 HA LEU A 31 7.337 -20.347 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.671 -20.533 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.500 -20.352 1.735 1.00 0.00 H new ATOM 0 HG LEU A 31 10.085 -17.968 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.483 -18.311 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.798 -19.644 3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.105 -19.867 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.086 -17.088 1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.653 -18.595 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.375 -17.522 1.197 1.00 0.00 H new ATOM 488 N VAL A 32 6.676 -17.799 4.149 1.00 0.00 N ATOM 489 CA VAL A 32 6.416 -16.894 5.264 1.00 0.00 C ATOM 490 C VAL A 32 4.933 -16.868 5.619 1.00 0.00 C ATOM 491 O VAL A 32 4.080 -17.210 4.800 1.00 0.00 O ATOM 492 CB VAL A 32 6.882 -15.460 4.937 1.00 0.00 C ATOM 493 CG1 VAL A 32 6.184 -14.946 3.688 1.00 0.00 C ATOM 494 CG2 VAL A 32 6.635 -14.527 6.115 1.00 0.00 C ATOM 0 H VAL A 32 5.953 -17.800 3.430 1.00 0.00 H new ATOM 0 HA VAL A 32 6.981 -17.269 6.117 1.00 0.00 H new ATOM 0 HB VAL A 32 7.955 -15.485 4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.524 -13.933 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.420 -15.596 2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.106 -14.940 3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.972 -13.522 5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.570 -14.505 6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.187 -14.885 6.984 1.00 0.00 H new ATOM 504 N SER A 33 4.635 -16.455 6.847 1.00 0.00 N ATOM 505 CA SER A 33 3.257 -16.377 7.315 1.00 0.00 C ATOM 506 C SER A 33 2.478 -15.325 6.531 1.00 0.00 C ATOM 507 O SER A 33 3.050 -14.353 6.038 1.00 0.00 O ATOM 508 CB SER A 33 3.222 -16.048 8.808 1.00 0.00 C ATOM 509 OG SER A 33 4.402 -15.375 9.210 1.00 0.00 O ATOM 0 H SER A 33 5.331 -16.169 7.536 1.00 0.00 H new ATOM 0 HA SER A 33 2.787 -17.347 7.154 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.353 -15.427 9.026 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.110 -16.967 9.383 1.00 0.00 H new ATOM 0 HG SER A 33 4.354 -15.174 10.168 1.00 0.00 H new ATOM 515 N GLU A 34 1.169 -15.528 6.418 1.00 0.00 N ATOM 516 CA GLU A 34 0.310 -14.600 5.691 1.00 0.00 C ATOM 517 C GLU A 34 0.088 -13.318 6.488 1.00 0.00 C ATOM 518 O GLU A 34 0.201 -12.211 5.957 1.00 0.00 O ATOM 519 CB GLU A 34 -1.039 -15.260 5.385 1.00 0.00 C ATOM 520 CG GLU A 34 -1.985 -14.381 4.583 1.00 0.00 C ATOM 521 CD GLU A 34 -1.313 -13.734 3.387 1.00 0.00 C ATOM 522 OE1 GLU A 34 -0.588 -12.735 3.582 1.00 0.00 O ATOM 523 OE2 GLU A 34 -1.509 -14.228 2.256 1.00 0.00 O ATOM 0 H GLU A 34 0.680 -16.327 6.821 1.00 0.00 H new ATOM 0 HA GLU A 34 0.807 -14.342 4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.864 -16.185 4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.520 -15.533 6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.828 -14.981 4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.389 -13.604 5.231 1.00 0.00 H new ATOM 530 N GLU A 35 -0.231 -13.482 7.764 1.00 0.00 N ATOM 531 CA GLU A 35 -0.479 -12.352 8.650 1.00 0.00 C ATOM 532 C GLU A 35 0.748 -11.453 8.760 1.00 0.00 C ATOM 533 O GLU A 35 0.624 -10.251 8.989 1.00 0.00 O ATOM 534 CB GLU A 35 -0.888 -12.846 10.038 1.00 0.00 C ATOM 535 CG GLU A 35 -0.018 -13.974 10.571 1.00 0.00 C ATOM 536 CD GLU A 35 -0.174 -14.172 12.067 1.00 0.00 C ATOM 537 OE1 GLU A 35 -1.184 -14.780 12.482 1.00 0.00 O ATOM 538 OE2 GLU A 35 0.710 -13.718 12.822 1.00 0.00 O ATOM 0 H GLU A 35 -0.325 -14.394 8.212 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.293 -11.766 8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.850 -12.010 10.736 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.923 -13.185 10.002 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.274 -14.900 10.057 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.026 -13.761 10.343 1.00 0.00 H new ATOM 545 N ASP A 36 1.932 -12.035 8.602 1.00 0.00 N ATOM 546 CA ASP A 36 3.166 -11.263 8.693 1.00 0.00 C ATOM 547 C ASP A 36 3.206 -10.183 7.620 1.00 0.00 C ATOM 548 O ASP A 36 3.330 -8.996 7.929 1.00 0.00 O ATOM 549 CB ASP A 36 4.382 -12.182 8.564 1.00 0.00 C ATOM 550 CG ASP A 36 5.553 -11.707 9.400 1.00 0.00 C ATOM 551 OD1 ASP A 36 5.496 -11.856 10.639 1.00 0.00 O ATOM 552 OD2 ASP A 36 6.527 -11.187 8.818 1.00 0.00 O ATOM 0 H ASP A 36 2.063 -13.029 8.412 1.00 0.00 H new ATOM 0 HA ASP A 36 3.195 -10.780 9.670 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.106 -13.191 8.870 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.684 -12.237 7.518 1.00 0.00 H new ATOM 557 N MET A 37 3.074 -10.588 6.359 1.00 0.00 N ATOM 558 CA MET A 37 3.069 -9.632 5.259 1.00 0.00 C ATOM 559 C MET A 37 1.940 -8.637 5.470 1.00 0.00 C ATOM 560 O MET A 37 2.117 -7.428 5.318 1.00 0.00 O ATOM 561 CB MET A 37 2.895 -10.349 3.916 1.00 0.00 C ATOM 562 CG MET A 37 3.165 -9.466 2.705 1.00 0.00 C ATOM 563 SD MET A 37 1.807 -8.338 2.343 1.00 0.00 S ATOM 564 CE MET A 37 0.490 -9.499 1.995 1.00 0.00 C ATOM 0 H MET A 37 2.970 -11.563 6.077 1.00 0.00 H new ATOM 0 HA MET A 37 4.024 -9.107 5.240 1.00 0.00 H new ATOM 0 HB2 MET A 37 3.566 -11.207 3.884 1.00 0.00 H new ATOM 0 HB3 MET A 37 1.878 -10.736 3.851 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.074 -8.889 2.878 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.348 -10.097 1.835 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.057 -9.277 1.020 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.890 -10.513 1.992 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.281 -9.416 2.761 1.00 0.00 H new ATOM 574 N VAL A 38 0.768 -9.171 5.800 1.00 0.00 N ATOM 575 CA VAL A 38 -0.414 -8.350 6.010 1.00 0.00 C ATOM 576 C VAL A 38 -0.169 -7.290 7.081 1.00 0.00 C ATOM 577 O VAL A 38 -0.529 -6.126 6.893 1.00 0.00 O ATOM 578 CB VAL A 38 -1.617 -9.222 6.425 1.00 0.00 C ATOM 579 CG1 VAL A 38 -2.867 -8.376 6.619 1.00 0.00 C ATOM 580 CG2 VAL A 38 -1.860 -10.319 5.400 1.00 0.00 C ATOM 0 H VAL A 38 0.614 -10.171 5.927 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.635 -7.852 5.066 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.381 -9.691 7.380 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.699 -9.017 6.911 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.688 -7.636 7.399 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.111 -7.868 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.712 -10.924 5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.067 -9.870 4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.975 -10.951 5.326 1.00 0.00 H new ATOM 590 N THR A 39 0.451 -7.669 8.198 1.00 0.00 N ATOM 591 CA THR A 39 0.728 -6.705 9.257 1.00 0.00 C ATOM 592 C THR A 39 1.680 -5.628 8.751 1.00 0.00 C ATOM 593 O THR A 39 1.542 -4.451 9.087 1.00 0.00 O ATOM 594 CB THR A 39 1.328 -7.406 10.478 1.00 0.00 C ATOM 595 OG1 THR A 39 0.469 -8.433 10.939 1.00 0.00 O ATOM 596 CG2 THR A 39 1.587 -6.471 11.640 1.00 0.00 C ATOM 0 H THR A 39 0.766 -8.620 8.390 1.00 0.00 H new ATOM 0 HA THR A 39 -0.211 -6.237 9.553 1.00 0.00 H new ATOM 0 HB THR A 39 2.282 -7.810 10.138 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.451 -9.163 10.285 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.012 -7.033 12.472 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.286 -5.693 11.332 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.649 -6.012 11.954 1.00 0.00 H new ATOM 604 N VAL A 40 2.643 -6.043 7.933 1.00 0.00 N ATOM 605 CA VAL A 40 3.621 -5.120 7.369 1.00 0.00 C ATOM 606 C VAL A 40 2.938 -4.050 6.520 1.00 0.00 C ATOM 607 O VAL A 40 3.307 -2.877 6.571 1.00 0.00 O ATOM 608 CB VAL A 40 4.657 -5.861 6.504 1.00 0.00 C ATOM 609 CG1 VAL A 40 5.779 -4.921 6.090 1.00 0.00 C ATOM 610 CG2 VAL A 40 5.209 -7.071 7.247 1.00 0.00 C ATOM 0 H VAL A 40 2.766 -7.014 7.646 1.00 0.00 H new ATOM 0 HA VAL A 40 4.131 -4.646 8.207 1.00 0.00 H new ATOM 0 HB VAL A 40 4.161 -6.215 5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.501 -5.463 5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.366 -4.093 5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.275 -4.533 6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.939 -7.581 6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.689 -6.744 8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.394 -7.755 7.485 1.00 0.00 H new ATOM 620 N VAL A 41 1.942 -4.464 5.742 1.00 0.00 N ATOM 621 CA VAL A 41 1.208 -3.540 4.884 1.00 0.00 C ATOM 622 C VAL A 41 0.420 -2.532 5.712 1.00 0.00 C ATOM 623 O VAL A 41 0.525 -1.324 5.503 1.00 0.00 O ATOM 624 CB VAL A 41 0.235 -4.286 3.951 1.00 0.00 C ATOM 625 CG1 VAL A 41 -0.401 -3.323 2.960 1.00 0.00 C ATOM 626 CG2 VAL A 41 0.949 -5.413 3.224 1.00 0.00 C ATOM 0 H VAL A 41 1.625 -5.432 5.688 1.00 0.00 H new ATOM 0 HA VAL A 41 1.949 -3.016 4.280 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.558 -4.722 4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.085 -3.869 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.952 -2.554 3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.377 -2.855 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.245 -5.928 2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.764 -5.003 2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.351 -6.118 3.952 1.00 0.00 H new ATOM 636 N GLU A 42 -0.368 -3.038 6.656 1.00 0.00 N ATOM 637 CA GLU A 42 -1.170 -2.178 7.518 1.00 0.00 C ATOM 638 C GLU A 42 -0.276 -1.238 8.318 1.00 0.00 C ATOM 639 O GLU A 42 -0.573 -0.051 8.464 1.00 0.00 O ATOM 640 CB GLU A 42 -2.026 -3.025 8.464 1.00 0.00 C ATOM 641 CG GLU A 42 -3.508 -3.004 8.128 1.00 0.00 C ATOM 642 CD GLU A 42 -4.381 -3.353 9.318 1.00 0.00 C ATOM 643 OE1 GLU A 42 -4.547 -2.489 10.206 1.00 0.00 O ATOM 644 OE2 GLU A 42 -4.897 -4.489 9.364 1.00 0.00 O ATOM 0 H GLU A 42 -0.468 -4.036 6.843 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.828 -1.578 6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.671 -4.055 8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.888 -2.666 9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.779 -2.014 7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.703 -3.709 7.320 1.00 0.00 H new ATOM 651 N ASP A 43 0.822 -1.779 8.835 1.00 0.00 N ATOM 652 CA ASP A 43 1.766 -0.997 9.622 1.00 0.00 C ATOM 653 C ASP A 43 2.421 0.087 8.773 1.00 0.00 C ATOM 654 O ASP A 43 2.496 1.246 9.180 1.00 0.00 O ATOM 655 CB ASP A 43 2.840 -1.907 10.221 1.00 0.00 C ATOM 656 CG ASP A 43 3.527 -1.278 11.417 1.00 0.00 C ATOM 657 OD1 ASP A 43 2.910 -1.235 12.502 1.00 0.00 O ATOM 658 OD2 ASP A 43 4.683 -0.829 11.269 1.00 0.00 O ATOM 0 H ASP A 43 1.080 -2.759 8.722 1.00 0.00 H new ATOM 0 HA ASP A 43 1.213 -0.516 10.429 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.386 -2.852 10.521 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.583 -2.138 9.458 1.00 0.00 H new ATOM 663 N TRP A 44 2.905 -0.295 7.593 1.00 0.00 N ATOM 664 CA TRP A 44 3.562 0.654 6.701 1.00 0.00 C ATOM 665 C TRP A 44 2.616 1.788 6.316 1.00 0.00 C ATOM 666 O TRP A 44 2.977 2.962 6.397 1.00 0.00 O ATOM 667 CB TRP A 44 4.053 -0.057 5.438 1.00 0.00 C ATOM 668 CG TRP A 44 5.370 -0.754 5.613 1.00 0.00 C ATOM 669 CD1 TRP A 44 6.201 -0.682 6.694 1.00 0.00 C ATOM 670 CD2 TRP A 44 6.006 -1.630 4.676 1.00 0.00 C ATOM 671 NE1 TRP A 44 7.315 -1.459 6.486 1.00 0.00 N ATOM 672 CE2 TRP A 44 7.218 -2.051 5.254 1.00 0.00 C ATOM 673 CE3 TRP A 44 5.667 -2.098 3.403 1.00 0.00 C ATOM 674 CZ2 TRP A 44 8.091 -2.919 4.602 1.00 0.00 C ATOM 675 CZ3 TRP A 44 6.535 -2.959 2.758 1.00 0.00 C ATOM 676 CH2 TRP A 44 7.735 -3.362 3.358 1.00 0.00 C ATOM 0 H TRP A 44 2.855 -1.249 7.235 1.00 0.00 H new ATOM 0 HA TRP A 44 4.415 1.078 7.231 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.304 -0.786 5.128 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.142 0.672 4.632 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.010 -0.099 7.583 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.088 -1.576 7.141 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.744 -1.793 2.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 9.017 -3.231 5.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.284 -3.327 1.774 1.00 0.00 H new ATOM 0 HH2 TRP A 44 8.392 -4.036 2.828 1.00 0.00 H new ATOM 687 N MET A 45 1.407 1.432 5.890 1.00 0.00 N ATOM 688 CA MET A 45 0.418 2.425 5.486 1.00 0.00 C ATOM 689 C MET A 45 0.145 3.419 6.607 1.00 0.00 C ATOM 690 O MET A 45 0.165 4.631 6.396 1.00 0.00 O ATOM 691 CB MET A 45 -0.884 1.734 5.072 1.00 0.00 C ATOM 692 CG MET A 45 -1.937 2.690 4.538 1.00 0.00 C ATOM 693 SD MET A 45 -3.092 1.887 3.411 1.00 0.00 S ATOM 694 CE MET A 45 -4.226 1.126 4.570 1.00 0.00 C ATOM 0 H MET A 45 1.090 0.465 5.816 1.00 0.00 H new ATOM 0 HA MET A 45 0.821 2.974 4.635 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.663 0.988 4.309 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.292 1.201 5.931 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.489 3.120 5.373 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.446 3.515 4.022 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.001 0.590 4.022 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.682 0.428 5.206 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.686 1.897 5.188 1.00 0.00 H new ATOM 704 N ASN A 46 -0.103 2.898 7.800 1.00 0.00 N ATOM 705 CA ASN A 46 -0.377 3.741 8.959 1.00 0.00 C ATOM 706 C ASN A 46 0.806 4.657 9.252 1.00 0.00 C ATOM 707 O ASN A 46 0.634 5.849 9.520 1.00 0.00 O ATOM 708 CB ASN A 46 -0.689 2.878 10.182 1.00 0.00 C ATOM 709 CG ASN A 46 -2.166 2.557 10.303 1.00 0.00 C ATOM 710 OD1 ASN A 46 -2.875 3.145 11.119 1.00 0.00 O ATOM 711 ND2 ASN A 46 -2.638 1.621 9.487 1.00 0.00 N ATOM 0 H ASN A 46 -0.121 1.897 7.993 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.245 4.360 8.733 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.122 1.949 10.122 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.358 3.396 11.082 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.625 1.364 9.522 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.014 1.159 8.826 1.00 0.00 H new ATOM 718 N PHE A 47 2.008 4.096 9.182 1.00 0.00 N ATOM 719 CA PHE A 47 3.221 4.863 9.426 1.00 0.00 C ATOM 720 C PHE A 47 3.382 5.947 8.367 1.00 0.00 C ATOM 721 O PHE A 47 3.921 7.020 8.636 1.00 0.00 O ATOM 722 CB PHE A 47 4.444 3.943 9.422 1.00 0.00 C ATOM 723 CG PHE A 47 5.735 4.660 9.697 1.00 0.00 C ATOM 724 CD1 PHE A 47 6.112 4.963 10.995 1.00 0.00 C ATOM 725 CD2 PHE A 47 6.571 5.030 8.656 1.00 0.00 C ATOM 726 CE1 PHE A 47 7.300 5.621 11.251 1.00 0.00 C ATOM 727 CE2 PHE A 47 7.761 5.689 8.905 1.00 0.00 C ATOM 728 CZ PHE A 47 8.126 5.985 10.204 1.00 0.00 C ATOM 0 H PHE A 47 2.167 3.114 8.958 1.00 0.00 H new ATOM 0 HA PHE A 47 3.140 5.335 10.405 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.304 3.163 10.171 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.512 3.447 8.454 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.470 4.682 11.817 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.290 4.801 7.639 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.583 5.851 12.268 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.404 5.972 8.085 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.055 6.500 10.401 1.00 0.00 H new ATOM 738 N TYR A 48 2.906 5.654 7.161 1.00 0.00 N ATOM 739 CA TYR A 48 2.994 6.597 6.055 1.00 0.00 C ATOM 740 C TYR A 48 2.058 7.780 6.279 1.00 0.00 C ATOM 741 O TYR A 48 2.473 8.931 6.191 1.00 0.00 O ATOM 742 CB TYR A 48 2.658 5.901 4.735 1.00 0.00 C ATOM 743 CG TYR A 48 3.864 5.656 3.856 1.00 0.00 C ATOM 744 CD1 TYR A 48 4.927 4.878 4.301 1.00 0.00 C ATOM 745 CD2 TYR A 48 3.941 6.201 2.580 1.00 0.00 C ATOM 746 CE1 TYR A 48 6.031 4.650 3.499 1.00 0.00 C ATOM 747 CE2 TYR A 48 5.040 5.978 1.773 1.00 0.00 C ATOM 748 CZ TYR A 48 6.082 5.203 2.237 1.00 0.00 C ATOM 749 OH TYR A 48 7.176 4.978 1.435 1.00 0.00 O ATOM 0 H TYR A 48 2.455 4.770 6.926 1.00 0.00 H new ATOM 0 HA TYR A 48 4.017 6.971 6.005 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.175 4.948 4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.937 6.508 4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.890 4.444 5.289 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.128 6.809 2.213 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.848 4.042 3.859 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.083 6.409 0.783 1.00 0.00 H new ATOM 0 HH TYR A 48 7.225 5.674 0.746 1.00 0.00 H new ATOM 759 N ILE A 49 0.790 7.488 6.563 1.00 0.00 N ATOM 760 CA ILE A 49 -0.197 8.537 6.793 1.00 0.00 C ATOM 761 C ILE A 49 0.255 9.471 7.915 1.00 0.00 C ATOM 762 O ILE A 49 0.119 10.689 7.811 1.00 0.00 O ATOM 763 CB ILE A 49 -1.590 7.945 7.127 1.00 0.00 C ATOM 764 CG1 ILE A 49 -2.281 7.476 5.846 1.00 0.00 C ATOM 765 CG2 ILE A 49 -2.463 8.964 7.851 1.00 0.00 C ATOM 766 CD1 ILE A 49 -1.886 6.080 5.422 1.00 0.00 C ATOM 0 H ILE A 49 0.425 6.539 6.639 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.283 9.109 5.869 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.446 7.092 7.790 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.361 7.511 5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.046 8.172 5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.434 8.520 8.072 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.980 9.261 8.782 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.601 9.840 7.218 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.415 5.814 4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.811 6.044 5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.147 5.373 6.210 1.00 0.00 H new ATOM 778 N ASN A 50 0.797 8.894 8.984 1.00 0.00 N ATOM 779 CA ASN A 50 1.270 9.686 10.114 1.00 0.00 C ATOM 780 C ASN A 50 2.489 10.520 9.724 1.00 0.00 C ATOM 781 O ASN A 50 2.626 11.671 10.136 1.00 0.00 O ATOM 782 CB ASN A 50 1.617 8.774 11.294 1.00 0.00 C ATOM 783 CG ASN A 50 0.485 8.673 12.297 1.00 0.00 C ATOM 784 OD1 ASN A 50 -0.574 8.119 12.003 1.00 0.00 O ATOM 785 ND2 ASN A 50 0.704 9.210 13.492 1.00 0.00 N ATOM 0 H ASN A 50 0.919 7.887 9.091 1.00 0.00 H new ATOM 0 HA ASN A 50 0.469 10.364 10.410 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.859 7.779 10.922 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.509 9.153 11.793 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.021 9.173 14.209 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.597 9.660 13.693 1.00 0.00 H new ATOM 792 N TYR A 51 3.376 9.922 8.935 1.00 0.00 N ATOM 793 CA TYR A 51 4.595 10.594 8.493 1.00 0.00 C ATOM 794 C TYR A 51 4.305 11.672 7.449 1.00 0.00 C ATOM 795 O TYR A 51 4.999 12.687 7.386 1.00 0.00 O ATOM 796 CB TYR A 51 5.577 9.576 7.912 1.00 0.00 C ATOM 797 CG TYR A 51 6.971 10.127 7.715 1.00 0.00 C ATOM 798 CD1 TYR A 51 7.308 10.817 6.558 1.00 0.00 C ATOM 799 CD2 TYR A 51 7.950 9.957 8.687 1.00 0.00 C ATOM 800 CE1 TYR A 51 8.581 11.323 6.372 1.00 0.00 C ATOM 801 CE2 TYR A 51 9.226 10.460 8.509 1.00 0.00 C ATOM 802 CZ TYR A 51 9.536 11.141 7.351 1.00 0.00 C ATOM 803 OH TYR A 51 10.805 11.643 7.171 1.00 0.00 O ATOM 0 H TYR A 51 3.273 8.969 8.587 1.00 0.00 H new ATOM 0 HA TYR A 51 5.034 11.077 9.366 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.627 8.712 8.575 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.196 9.222 6.954 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.562 10.961 5.790 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.711 9.424 9.595 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.826 11.857 5.466 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.976 10.320 9.273 1.00 0.00 H new ATOM 0 HH TYR A 51 11.355 11.430 7.953 1.00 0.00 H new ATOM 813 N TYR A 52 3.293 11.441 6.621 1.00 0.00 N ATOM 814 CA TYR A 52 2.934 12.387 5.572 1.00 0.00 C ATOM 815 C TYR A 52 2.181 13.589 6.134 1.00 0.00 C ATOM 816 O TYR A 52 2.445 14.729 5.750 1.00 0.00 O ATOM 817 CB TYR A 52 2.097 11.694 4.494 1.00 0.00 C ATOM 818 CG TYR A 52 2.912 11.227 3.309 1.00 0.00 C ATOM 819 CD1 TYR A 52 3.866 12.055 2.728 1.00 0.00 C ATOM 820 CD2 TYR A 52 2.731 9.959 2.772 1.00 0.00 C ATOM 821 CE1 TYR A 52 4.613 11.634 1.646 1.00 0.00 C ATOM 822 CE2 TYR A 52 3.476 9.530 1.690 1.00 0.00 C ATOM 823 CZ TYR A 52 4.415 10.371 1.131 1.00 0.00 C ATOM 824 OH TYR A 52 5.157 9.947 0.053 1.00 0.00 O ATOM 0 H TYR A 52 2.707 10.607 6.656 1.00 0.00 H new ATOM 0 HA TYR A 52 3.859 12.753 5.125 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.587 10.838 4.935 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.325 12.381 4.147 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.025 13.045 3.130 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.996 9.298 3.207 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.349 12.291 1.206 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.324 8.541 1.284 1.00 0.00 H new ATOM 0 HH TYR A 52 5.544 9.068 0.248 1.00 0.00 H new ATOM 834 N ARG A 53 1.245 13.336 7.044 1.00 0.00 N ATOM 835 CA ARG A 53 0.463 14.411 7.649 1.00 0.00 C ATOM 836 C ARG A 53 1.378 15.501 8.207 1.00 0.00 C ATOM 837 O ARG A 53 1.035 16.683 8.184 1.00 0.00 O ATOM 838 CB ARG A 53 -0.435 13.861 8.759 1.00 0.00 C ATOM 839 CG ARG A 53 0.328 13.175 9.881 1.00 0.00 C ATOM 840 CD ARG A 53 -0.470 13.174 11.173 1.00 0.00 C ATOM 841 NE ARG A 53 -0.418 14.468 11.850 1.00 0.00 N ATOM 842 CZ ARG A 53 0.545 14.829 12.697 1.00 0.00 C ATOM 843 NH1 ARG A 53 1.540 13.997 12.979 1.00 0.00 N ATOM 844 NH2 ARG A 53 0.511 16.028 13.263 1.00 0.00 N ATOM 0 H ARG A 53 1.010 12.401 7.378 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.165 14.850 6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.022 14.679 9.178 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.140 13.152 8.325 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.558 12.149 9.593 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.280 13.683 10.040 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.508 12.919 10.958 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.083 12.401 11.837 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.165 15.136 11.662 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.571 13.074 12.546 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.274 14.281 13.628 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.251 16.671 13.050 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.247 16.307 13.912 1.00 0.00 H new ATOM 858 N GLN A 54 2.542 15.092 8.706 1.00 0.00 N ATOM 859 CA GLN A 54 3.507 16.031 9.269 1.00 0.00 C ATOM 860 C GLN A 54 4.345 16.691 8.173 1.00 0.00 C ATOM 861 O GLN A 54 4.956 17.736 8.394 1.00 0.00 O ATOM 862 CB GLN A 54 4.422 15.312 10.266 1.00 0.00 C ATOM 863 CG GLN A 54 4.155 15.691 11.713 1.00 0.00 C ATOM 864 CD GLN A 54 5.242 15.208 12.656 1.00 0.00 C ATOM 865 OE1 GLN A 54 5.017 14.320 13.478 1.00 0.00 O ATOM 866 NE2 GLN A 54 6.428 15.794 12.539 1.00 0.00 N ATOM 0 H GLN A 54 2.839 14.117 8.732 1.00 0.00 H new ATOM 0 HA GLN A 54 2.952 16.813 9.787 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.297 14.235 10.151 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.460 15.540 10.024 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.068 16.775 11.790 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.198 15.272 12.023 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.569 16.526 11.843 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.198 15.512 13.145 1.00 0.00 H new ATOM 875 N GLN A 55 4.370 16.074 6.994 1.00 0.00 N ATOM 876 CA GLN A 55 5.136 16.605 5.869 1.00 0.00 C ATOM 877 C GLN A 55 4.284 17.525 4.997 1.00 0.00 C ATOM 878 O GLN A 55 4.524 17.653 3.797 1.00 0.00 O ATOM 879 CB GLN A 55 5.701 15.463 5.021 1.00 0.00 C ATOM 880 CG GLN A 55 7.058 15.773 4.408 1.00 0.00 C ATOM 881 CD GLN A 55 8.148 15.923 5.453 1.00 0.00 C ATOM 882 OE1 GLN A 55 8.612 17.029 5.728 1.00 0.00 O ATOM 883 NE2 GLN A 55 8.566 14.806 6.038 1.00 0.00 N ATOM 0 H GLN A 55 3.870 15.208 6.793 1.00 0.00 H new ATOM 0 HA GLN A 55 5.959 17.191 6.279 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.787 14.570 5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.996 15.231 4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.330 14.977 3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.989 16.692 3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.153 13.910 5.780 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.300 14.845 6.746 1.00 0.00 H new ATOM 892 N VAL A 56 3.293 18.168 5.608 1.00 0.00 N ATOM 893 CA VAL A 56 2.412 19.078 4.884 1.00 0.00 C ATOM 894 C VAL A 56 2.632 20.521 5.327 1.00 0.00 C ATOM 895 O VAL A 56 2.809 20.796 6.514 1.00 0.00 O ATOM 896 CB VAL A 56 0.928 18.714 5.087 1.00 0.00 C ATOM 897 CG1 VAL A 56 0.057 19.446 4.079 1.00 0.00 C ATOM 898 CG2 VAL A 56 0.724 17.207 4.989 1.00 0.00 C ATOM 0 H VAL A 56 3.080 18.076 6.601 1.00 0.00 H new ATOM 0 HA VAL A 56 2.659 18.979 3.827 1.00 0.00 H new ATOM 0 HB VAL A 56 0.630 19.030 6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.987 19.177 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.178 20.522 4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.355 19.165 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.330 16.972 5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.040 16.860 4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.316 16.709 5.757 1.00 0.00 H new ATOM 908 N THR A 57 2.620 21.439 4.365 1.00 0.00 N ATOM 909 CA THR A 57 2.818 22.855 4.659 1.00 0.00 C ATOM 910 C THR A 57 1.669 23.705 4.117 1.00 0.00 C ATOM 911 O THR A 57 1.653 24.923 4.297 1.00 0.00 O ATOM 912 CB THR A 57 4.146 23.339 4.071 1.00 0.00 C ATOM 913 OG1 THR A 57 4.506 22.568 2.940 1.00 0.00 O ATOM 914 CG2 THR A 57 5.295 23.275 5.056 1.00 0.00 C ATOM 0 H THR A 57 2.476 21.229 3.377 1.00 0.00 H new ATOM 0 HA THR A 57 2.841 22.968 5.743 1.00 0.00 H new ATOM 0 HB THR A 57 3.978 24.381 3.800 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.356 22.895 2.579 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.206 23.632 4.576 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.070 23.902 5.919 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.437 22.245 5.383 1.00 0.00 H new ATOM 922 N GLY A 58 0.705 23.064 3.457 1.00 0.00 N ATOM 923 CA GLY A 58 -0.427 23.790 2.911 1.00 0.00 C ATOM 924 C GLY A 58 -1.522 24.005 3.936 1.00 0.00 C ATOM 925 O GLY A 58 -1.480 23.433 5.026 1.00 0.00 O ATOM 0 H GLY A 58 0.689 22.058 3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.089 24.756 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.831 23.241 2.060 1.00 0.00 H new ATOM 929 N GLU A 59 -2.503 24.833 3.593 1.00 0.00 N ATOM 930 CA GLU A 59 -3.614 25.121 4.499 1.00 0.00 C ATOM 931 C GLU A 59 -4.397 23.851 4.824 1.00 0.00 C ATOM 932 O GLU A 59 -4.294 22.850 4.117 1.00 0.00 O ATOM 933 CB GLU A 59 -4.550 26.168 3.887 1.00 0.00 C ATOM 934 CG GLU A 59 -4.776 25.994 2.396 1.00 0.00 C ATOM 935 CD GLU A 59 -6.038 26.684 1.913 1.00 0.00 C ATOM 936 OE1 GLU A 59 -7.113 26.428 2.496 1.00 0.00 O ATOM 937 OE2 GLU A 59 -5.951 27.479 0.955 1.00 0.00 O ATOM 0 H GLU A 59 -2.553 25.317 2.696 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.196 25.517 5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.512 26.124 4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.137 27.160 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.918 26.392 1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.836 24.931 2.163 1.00 0.00 H new ATOM 944 N PRO A 60 -5.198 23.878 5.907 1.00 0.00 N ATOM 945 CA PRO A 60 -6.004 22.730 6.328 1.00 0.00 C ATOM 946 C PRO A 60 -6.808 22.132 5.179 1.00 0.00 C ATOM 947 O PRO A 60 -7.082 20.931 5.162 1.00 0.00 O ATOM 948 CB PRO A 60 -6.944 23.308 7.399 1.00 0.00 C ATOM 949 CG PRO A 60 -6.770 24.791 7.335 1.00 0.00 C ATOM 950 CD PRO A 60 -5.385 25.023 6.806 1.00 0.00 C ATOM 0 HA PRO A 60 -5.379 21.915 6.694 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.979 23.027 7.204 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.691 22.927 8.388 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -7.517 25.244 6.683 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.892 25.241 8.320 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.305 25.973 6.277 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -4.642 25.039 7.604 1.00 0.00 H new ATOM 958 N GLN A 61 -7.172 22.966 4.212 1.00 0.00 N ATOM 959 CA GLN A 61 -7.928 22.503 3.056 1.00 0.00 C ATOM 960 C GLN A 61 -7.026 21.697 2.130 1.00 0.00 C ATOM 961 O GLN A 61 -7.394 20.618 1.667 1.00 0.00 O ATOM 962 CB GLN A 61 -8.534 23.690 2.301 1.00 0.00 C ATOM 963 CG GLN A 61 -9.339 23.288 1.077 1.00 0.00 C ATOM 964 CD GLN A 61 -10.753 22.861 1.420 1.00 0.00 C ATOM 965 OE1 GLN A 61 -10.991 21.718 1.811 1.00 0.00 O ATOM 966 NE2 GLN A 61 -11.701 23.780 1.276 1.00 0.00 N ATOM 0 H GLN A 61 -6.956 23.963 4.206 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.739 21.864 3.404 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.177 24.251 2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.732 24.361 1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.376 24.126 0.380 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.831 22.470 0.566 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -11.459 24.715 0.949 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.671 23.550 1.492 1.00 0.00 H new ATOM 975 N GLU A 62 -5.837 22.233 1.875 1.00 0.00 N ATOM 976 CA GLU A 62 -4.865 21.570 1.014 1.00 0.00 C ATOM 977 C GLU A 62 -4.262 20.364 1.721 1.00 0.00 C ATOM 978 O GLU A 62 -3.940 19.356 1.092 1.00 0.00 O ATOM 979 CB GLU A 62 -3.761 22.549 0.610 1.00 0.00 C ATOM 980 CG GLU A 62 -3.061 22.175 -0.686 1.00 0.00 C ATOM 981 CD GLU A 62 -1.835 23.026 -0.951 1.00 0.00 C ATOM 982 OE1 GLU A 62 -1.998 24.172 -1.420 1.00 0.00 O ATOM 983 OE2 GLU A 62 -0.711 22.548 -0.688 1.00 0.00 O ATOM 0 H GLU A 62 -5.523 23.127 2.253 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.377 21.226 0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.190 23.546 0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.023 22.601 1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.769 21.125 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.759 22.282 -1.516 1.00 0.00 H new ATOM 990 N ARG A 63 -4.117 20.476 3.037 1.00 0.00 N ATOM 991 CA ARG A 63 -3.561 19.398 3.843 1.00 0.00 C ATOM 992 C ARG A 63 -4.512 18.207 3.871 1.00 0.00 C ATOM 993 O ARG A 63 -4.119 17.079 3.579 1.00 0.00 O ATOM 994 CB ARG A 63 -3.294 19.889 5.267 1.00 0.00 C ATOM 995 CG ARG A 63 -2.486 18.915 6.110 1.00 0.00 C ATOM 996 CD ARG A 63 -1.566 19.646 7.073 1.00 0.00 C ATOM 997 NE ARG A 63 -2.307 20.509 7.991 1.00 0.00 N ATOM 998 CZ ARG A 63 -2.907 20.075 9.097 1.00 0.00 C ATOM 999 NH1 ARG A 63 -2.863 18.790 9.425 1.00 0.00 N ATOM 1000 NH2 ARG A 63 -3.556 20.930 9.876 1.00 0.00 N ATOM 0 H ARG A 63 -4.378 21.306 3.569 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.619 19.081 3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.764 20.841 5.220 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.247 20.079 5.761 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.162 18.269 6.670 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.896 18.271 5.459 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.989 18.919 7.645 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.853 20.246 6.508 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.368 21.503 7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.367 18.128 8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.325 18.464 10.274 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.595 21.918 9.627 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.016 20.599 10.724 1.00 0.00 H new ATOM 1014 N ASP A 64 -5.765 18.471 4.226 1.00 0.00 N ATOM 1015 CA ASP A 64 -6.776 17.423 4.293 1.00 0.00 C ATOM 1016 C ASP A 64 -7.034 16.823 2.915 1.00 0.00 C ATOM 1017 O ASP A 64 -7.164 15.610 2.769 1.00 0.00 O ATOM 1018 CB ASP A 64 -8.080 17.979 4.870 1.00 0.00 C ATOM 1019 CG ASP A 64 -8.159 17.823 6.376 1.00 0.00 C ATOM 1020 OD1 ASP A 64 -7.322 18.428 7.080 1.00 0.00 O ATOM 1021 OD2 ASP A 64 -9.057 17.099 6.852 1.00 0.00 O ATOM 0 H ASP A 64 -6.104 19.401 4.472 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.402 16.636 4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.167 19.034 4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.925 17.467 4.410 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.111 17.687 1.908 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.359 17.245 0.539 1.00 0.00 C ATOM 1028 C LYS A 65 -6.280 16.277 0.073 1.00 0.00 C ATOM 1029 O LYS A 65 -6.578 15.218 -0.481 1.00 0.00 O ATOM 1030 CB LYS A 65 -7.433 18.446 -0.405 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.102 18.135 -1.734 1.00 0.00 C ATOM 1032 CD LYS A 65 -9.544 18.613 -1.754 1.00 0.00 C ATOM 1033 CE LYS A 65 -10.411 17.729 -2.634 1.00 0.00 C ATOM 1034 NZ LYS A 65 -10.681 16.408 -2.002 1.00 0.00 N ATOM 0 H LYS A 65 -7.005 18.696 2.013 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.316 16.724 0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.978 19.251 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.424 18.813 -0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.548 18.612 -2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.071 17.061 -1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.941 18.619 -0.739 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.583 19.640 -2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.355 18.234 -2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.918 17.578 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.466 15.940 -2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.829 15.814 -2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.937 16.547 -1.004 1.00 0.00 H new ATOM 1048 N ALA A 66 -5.027 16.641 0.309 1.00 0.00 N ATOM 1049 CA ALA A 66 -3.901 15.798 -0.078 1.00 0.00 C ATOM 1050 C ALA A 66 -3.824 14.561 0.809 1.00 0.00 C ATOM 1051 O ALA A 66 -3.325 13.514 0.395 1.00 0.00 O ATOM 1052 CB ALA A 66 -2.601 16.586 -0.005 1.00 0.00 C ATOM 0 H ALA A 66 -4.763 17.514 0.766 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.054 15.472 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.770 15.944 -0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.655 17.440 -0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.446 16.939 1.014 1.00 0.00 H new ATOM 1058 N LEU A 67 -4.340 14.688 2.027 1.00 0.00 N ATOM 1059 CA LEU A 67 -4.348 13.581 2.974 1.00 0.00 C ATOM 1060 C LEU A 67 -5.411 12.561 2.584 1.00 0.00 C ATOM 1061 O LEU A 67 -5.189 11.351 2.667 1.00 0.00 O ATOM 1062 CB LEU A 67 -4.596 14.096 4.395 1.00 0.00 C ATOM 1063 CG LEU A 67 -3.356 14.134 5.293 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.931 12.725 5.674 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.216 14.871 4.604 1.00 0.00 C ATOM 0 H LEU A 67 -4.758 15.548 2.381 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.373 13.094 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.013 15.101 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.350 13.466 4.868 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.609 14.675 6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.048 12.771 6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.742 12.233 6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.697 12.159 4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.345 14.887 5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.962 14.361 3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.524 15.893 4.385 1.00 0.00 H new ATOM 1077 N GLN A 68 -6.562 13.058 2.140 1.00 0.00 N ATOM 1078 CA GLN A 68 -7.653 12.189 1.721 1.00 0.00 C ATOM 1079 C GLN A 68 -7.282 11.460 0.440 1.00 0.00 C ATOM 1080 O GLN A 68 -7.540 10.265 0.294 1.00 0.00 O ATOM 1081 CB GLN A 68 -8.933 12.998 1.509 1.00 0.00 C ATOM 1082 CG GLN A 68 -9.370 13.785 2.736 1.00 0.00 C ATOM 1083 CD GLN A 68 -10.812 13.514 3.119 1.00 0.00 C ATOM 1084 OE1 GLN A 68 -11.728 13.731 2.327 1.00 0.00 O ATOM 1085 NE2 GLN A 68 -11.021 13.039 4.342 1.00 0.00 N ATOM 0 H GLN A 68 -6.761 14.055 2.062 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.830 11.456 2.508 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.782 13.689 0.680 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.736 12.321 1.218 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.721 13.533 3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.243 14.850 2.544 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.232 12.874 4.967 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.971 12.840 4.656 1.00 0.00 H new ATOM 1094 N GLU A 69 -6.662 12.186 -0.481 1.00 0.00 N ATOM 1095 CA GLU A 69 -6.241 11.608 -1.747 1.00 0.00 C ATOM 1096 C GLU A 69 -5.179 10.546 -1.507 1.00 0.00 C ATOM 1097 O GLU A 69 -5.199 9.480 -2.121 1.00 0.00 O ATOM 1098 CB GLU A 69 -5.700 12.693 -2.680 1.00 0.00 C ATOM 1099 CG GLU A 69 -6.749 13.266 -3.620 1.00 0.00 C ATOM 1100 CD GLU A 69 -6.800 12.536 -4.947 1.00 0.00 C ATOM 1101 OE1 GLU A 69 -5.858 12.697 -5.750 1.00 0.00 O ATOM 1102 OE2 GLU A 69 -7.784 11.803 -5.184 1.00 0.00 O ATOM 0 H GLU A 69 -6.440 13.176 -0.374 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.106 11.145 -2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.282 13.501 -2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.883 12.278 -3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.727 13.214 -3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.537 14.320 -3.797 1.00 0.00 H new ATOM 1109 N LEU A 70 -4.259 10.843 -0.596 1.00 0.00 N ATOM 1110 CA LEU A 70 -3.194 9.910 -0.259 1.00 0.00 C ATOM 1111 C LEU A 70 -3.781 8.599 0.251 1.00 0.00 C ATOM 1112 O LEU A 70 -3.392 7.518 -0.192 1.00 0.00 O ATOM 1113 CB LEU A 70 -2.268 10.515 0.795 1.00 0.00 C ATOM 1114 CG LEU A 70 -0.788 10.161 0.635 1.00 0.00 C ATOM 1115 CD1 LEU A 70 -0.054 11.261 -0.115 1.00 0.00 C ATOM 1116 CD2 LEU A 70 -0.146 9.919 1.994 1.00 0.00 C ATOM 0 H LEU A 70 -4.230 11.722 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.614 9.709 -1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.372 11.600 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.600 10.187 1.780 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.716 9.242 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.997 10.992 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.496 11.385 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.136 12.196 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.906 9.669 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.230 10.820 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.654 9.095 2.495 1.00 0.00 H new ATOM 1128 N ARG A 71 -4.725 8.701 1.183 1.00 0.00 N ATOM 1129 CA ARG A 71 -5.367 7.520 1.747 1.00 0.00 C ATOM 1130 C ARG A 71 -6.016 6.683 0.648 1.00 0.00 C ATOM 1131 O ARG A 71 -5.828 5.467 0.587 1.00 0.00 O ATOM 1132 CB ARG A 71 -6.414 7.929 2.785 1.00 0.00 C ATOM 1133 CG ARG A 71 -7.151 6.752 3.403 1.00 0.00 C ATOM 1134 CD ARG A 71 -7.587 7.051 4.829 1.00 0.00 C ATOM 1135 NE ARG A 71 -8.963 7.537 4.890 1.00 0.00 N ATOM 1136 CZ ARG A 71 -9.312 8.811 4.719 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -8.389 9.734 4.478 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -10.588 9.163 4.790 1.00 0.00 N ATOM 0 H ARG A 71 -5.061 9.587 1.562 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.603 6.916 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.926 8.497 3.577 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.138 8.594 2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.025 6.511 2.798 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.506 5.874 3.396 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.494 6.149 5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.920 7.796 5.263 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.702 6.859 5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.405 9.469 4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.663 10.708 4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.302 8.458 4.976 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.856 10.138 4.659 1.00 0.00 H new ATOM 1152 N GLN A 72 -6.779 7.340 -0.221 1.00 0.00 N ATOM 1153 CA GLN A 72 -7.450 6.651 -1.317 1.00 0.00 C ATOM 1154 C GLN A 72 -6.438 5.938 -2.210 1.00 0.00 C ATOM 1155 O GLN A 72 -6.606 4.767 -2.547 1.00 0.00 O ATOM 1156 CB GLN A 72 -8.274 7.637 -2.147 1.00 0.00 C ATOM 1157 CG GLN A 72 -9.047 6.975 -3.276 1.00 0.00 C ATOM 1158 CD GLN A 72 -10.357 6.373 -2.807 1.00 0.00 C ATOM 1159 OE1 GLN A 72 -10.383 5.287 -2.230 1.00 0.00 O ATOM 1160 NE2 GLN A 72 -11.454 7.080 -3.052 1.00 0.00 N ATOM 0 H GLN A 72 -6.947 8.345 -0.187 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.120 5.906 -0.886 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.974 8.156 -1.492 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.609 8.393 -2.566 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -9.247 7.710 -4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.432 6.195 -3.724 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.386 7.976 -3.534 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.365 6.727 -2.758 1.00 0.00 H new ATOM 1169 N GLU A 73 -5.385 6.653 -2.585 1.00 0.00 N ATOM 1170 CA GLU A 73 -4.343 6.090 -3.434 1.00 0.00 C ATOM 1171 C GLU A 73 -3.616 4.950 -2.726 1.00 0.00 C ATOM 1172 O GLU A 73 -3.038 4.075 -3.370 1.00 0.00 O ATOM 1173 CB GLU A 73 -3.348 7.180 -3.834 1.00 0.00 C ATOM 1174 CG GLU A 73 -3.970 8.303 -4.648 1.00 0.00 C ATOM 1175 CD GLU A 73 -4.316 7.879 -6.064 1.00 0.00 C ATOM 1176 OE1 GLU A 73 -4.603 6.681 -6.272 1.00 0.00 O ATOM 1177 OE2 GLU A 73 -4.297 8.744 -6.964 1.00 0.00 O ATOM 0 H GLU A 73 -5.230 7.624 -2.315 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.814 5.687 -4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.901 7.600 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.540 6.729 -4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.873 8.652 -4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.279 9.145 -4.684 1.00 0.00 H new ATOM 1184 N LEU A 74 -3.652 4.957 -1.399 1.00 0.00 N ATOM 1185 CA LEU A 74 -2.995 3.912 -0.624 1.00 0.00 C ATOM 1186 C LEU A 74 -3.836 2.643 -0.602 1.00 0.00 C ATOM 1187 O LEU A 74 -3.315 1.557 -0.822 1.00 0.00 O ATOM 1188 CB LEU A 74 -2.697 4.397 0.792 1.00 0.00 C ATOM 1189 CG LEU A 74 -1.527 5.379 0.894 1.00 0.00 C ATOM 1190 CD1 LEU A 74 -1.472 6.010 2.274 1.00 0.00 C ATOM 1191 CD2 LEU A 74 -0.213 4.681 0.573 1.00 0.00 C ATOM 0 H LEU A 74 -4.125 5.668 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.046 3.676 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.591 4.873 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.485 3.533 1.421 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.684 6.172 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.633 6.704 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.400 6.548 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.343 5.231 3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.607 5.395 0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.052 3.866 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.251 4.282 -0.440 1.00 0.00 H new ATOM 1203 N ASN A 75 -5.134 2.769 -0.347 1.00 0.00 N ATOM 1204 CA ASN A 75 -5.999 1.594 -0.330 1.00 0.00 C ATOM 1205 C ASN A 75 -6.115 1.014 -1.738 1.00 0.00 C ATOM 1206 O ASN A 75 -6.338 -0.184 -1.910 1.00 0.00 O ATOM 1207 CB ASN A 75 -7.388 1.925 0.223 1.00 0.00 C ATOM 1208 CG ASN A 75 -7.934 3.240 -0.294 1.00 0.00 C ATOM 1209 OD1 ASN A 75 -7.984 4.230 0.435 1.00 0.00 O ATOM 1210 ND2 ASN A 75 -8.355 3.254 -1.553 1.00 0.00 N ATOM 0 H ASN A 75 -5.603 3.654 -0.153 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.549 0.853 0.331 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.078 1.123 -0.040 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.340 1.961 1.311 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.739 4.110 -1.953 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.294 2.409 -2.121 1.00 0.00 H new ATOM 1217 N THR A 76 -5.951 1.876 -2.742 1.00 0.00 N ATOM 1218 CA THR A 76 -6.026 1.448 -4.136 1.00 0.00 C ATOM 1219 C THR A 76 -4.676 0.901 -4.616 1.00 0.00 C ATOM 1220 O THR A 76 -4.627 0.041 -5.496 1.00 0.00 O ATOM 1221 CB THR A 76 -6.495 2.600 -5.037 1.00 0.00 C ATOM 1222 OG1 THR A 76 -7.084 2.097 -6.223 1.00 0.00 O ATOM 1223 CG2 THR A 76 -5.387 3.549 -5.448 1.00 0.00 C ATOM 0 H THR A 76 -5.766 2.871 -2.615 1.00 0.00 H new ATOM 0 HA THR A 76 -6.759 0.644 -4.200 1.00 0.00 H new ATOM 0 HB THR A 76 -7.213 3.154 -4.433 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.378 2.844 -6.784 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.797 4.335 -6.082 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.942 3.996 -4.559 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.623 3.000 -5.999 1.00 0.00 H new ATOM 1231 N LEU A 77 -3.585 1.385 -4.019 1.00 0.00 N ATOM 1232 CA LEU A 77 -2.245 0.920 -4.379 1.00 0.00 C ATOM 1233 C LEU A 77 -1.890 -0.332 -3.576 1.00 0.00 C ATOM 1234 O LEU A 77 -1.175 -1.213 -4.054 1.00 0.00 O ATOM 1235 CB LEU A 77 -1.197 2.014 -4.117 1.00 0.00 C ATOM 1236 CG LEU A 77 -1.034 3.080 -5.214 1.00 0.00 C ATOM 1237 CD1 LEU A 77 0.327 3.749 -5.098 1.00 0.00 C ATOM 1238 CD2 LEU A 77 -1.208 2.475 -6.602 1.00 0.00 C ATOM 0 H LEU A 77 -3.603 2.096 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.243 0.682 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.455 2.518 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.231 1.532 -3.962 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.812 3.830 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.430 4.501 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.416 4.225 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.111 3.000 -5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.087 3.253 -7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.458 1.699 -6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.203 2.039 -6.687 1.00 0.00 H new ATOM 1250 N ALA A 78 -2.410 -0.395 -2.355 1.00 0.00 N ATOM 1251 CA ALA A 78 -2.174 -1.528 -1.463 1.00 0.00 C ATOM 1252 C ALA A 78 -3.106 -2.698 -1.782 1.00 0.00 C ATOM 1253 O ALA A 78 -2.815 -3.844 -1.440 1.00 0.00 O ATOM 1254 CB ALA A 78 -2.340 -1.099 -0.014 1.00 0.00 C ATOM 0 H ALA A 78 -3.004 0.332 -1.956 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.150 -1.868 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.162 -1.952 0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.625 -0.309 0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.353 -0.728 0.142 1.00 0.00 H new ATOM 1260 N ASN A 79 -4.249 -2.393 -2.386 1.00 0.00 N ATOM 1261 CA ASN A 79 -5.248 -3.416 -2.690 1.00 0.00 C ATOM 1262 C ASN A 79 -4.676 -4.525 -3.579 1.00 0.00 C ATOM 1263 O ASN A 79 -4.849 -5.705 -3.273 1.00 0.00 O ATOM 1264 CB ASN A 79 -6.464 -2.780 -3.369 1.00 0.00 C ATOM 1265 CG ASN A 79 -7.666 -2.708 -2.448 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -8.294 -1.659 -2.306 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -7.995 -3.829 -1.817 1.00 0.00 N ATOM 0 H ASN A 79 -4.508 -1.450 -2.675 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.552 -3.869 -1.746 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.206 -1.776 -3.705 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.724 -3.356 -4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.796 -3.843 -1.186 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.447 -4.677 -1.964 1.00 0.00 H new ATOM 1274 N PRO A 80 -3.977 -4.187 -4.675 1.00 0.00 N ATOM 1275 CA PRO A 80 -3.392 -5.204 -5.556 1.00 0.00 C ATOM 1276 C PRO A 80 -2.308 -6.011 -4.840 1.00 0.00 C ATOM 1277 O PRO A 80 -2.076 -7.179 -5.153 1.00 0.00 O ATOM 1278 CB PRO A 80 -2.790 -4.391 -6.706 1.00 0.00 C ATOM 1279 CG PRO A 80 -2.607 -3.016 -6.161 1.00 0.00 C ATOM 1280 CD PRO A 80 -3.690 -2.818 -5.136 1.00 0.00 C ATOM 0 HA PRO A 80 -4.129 -5.934 -5.889 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.840 -4.815 -7.032 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.451 -4.386 -7.573 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.621 -2.905 -5.710 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.681 -2.271 -6.953 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.357 -2.180 -4.318 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.572 -2.347 -5.569 1.00 0.00 H new ATOM 1288 N PHE A 81 -1.651 -5.367 -3.883 1.00 0.00 N ATOM 1289 CA PHE A 81 -0.584 -5.992 -3.106 1.00 0.00 C ATOM 1290 C PHE A 81 -1.134 -7.083 -2.194 1.00 0.00 C ATOM 1291 O PHE A 81 -0.571 -8.175 -2.094 1.00 0.00 O ATOM 1292 CB PHE A 81 0.127 -4.920 -2.272 1.00 0.00 C ATOM 1293 CG PHE A 81 1.213 -5.438 -1.365 1.00 0.00 C ATOM 1294 CD1 PHE A 81 1.725 -6.719 -1.512 1.00 0.00 C ATOM 1295 CD2 PHE A 81 1.727 -4.629 -0.362 1.00 0.00 C ATOM 1296 CE1 PHE A 81 2.725 -7.181 -0.678 1.00 0.00 C ATOM 1297 CE2 PHE A 81 2.728 -5.086 0.473 1.00 0.00 C ATOM 1298 CZ PHE A 81 3.227 -6.363 0.315 1.00 0.00 C ATOM 0 H PHE A 81 -1.841 -4.399 -3.623 1.00 0.00 H new ATOM 0 HA PHE A 81 0.123 -6.456 -3.794 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.560 -4.182 -2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.615 -4.400 -1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.337 -7.363 -2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.340 -3.629 -0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.114 -8.181 -0.803 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.120 -4.445 1.249 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.009 -6.722 0.967 1.00 0.00 H new ATOM 1308 N LEU A 82 -2.236 -6.780 -1.529 1.00 0.00 N ATOM 1309 CA LEU A 82 -2.859 -7.730 -0.622 1.00 0.00 C ATOM 1310 C LEU A 82 -3.390 -8.944 -1.375 1.00 0.00 C ATOM 1311 O LEU A 82 -3.207 -10.081 -0.938 1.00 0.00 O ATOM 1312 CB LEU A 82 -3.988 -7.049 0.155 1.00 0.00 C ATOM 1313 CG LEU A 82 -4.657 -7.914 1.222 1.00 0.00 C ATOM 1314 CD1 LEU A 82 -5.493 -7.055 2.160 1.00 0.00 C ATOM 1315 CD2 LEU A 82 -5.511 -8.988 0.570 1.00 0.00 C ATOM 0 H LEU A 82 -2.718 -5.884 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.102 -8.078 0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.590 -6.154 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.749 -6.721 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.881 -8.402 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.962 -7.689 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.852 -6.322 2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.265 -6.538 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.982 -9.597 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.281 -8.519 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.884 -9.620 -0.058 1.00 0.00 H new ATOM 1327 N ALA A 83 -4.037 -8.708 -2.511 1.00 0.00 N ATOM 1328 CA ALA A 83 -4.575 -9.799 -3.310 1.00 0.00 C ATOM 1329 C ALA A 83 -3.449 -10.588 -3.962 1.00 0.00 C ATOM 1330 O ALA A 83 -3.561 -11.796 -4.171 1.00 0.00 O ATOM 1331 CB ALA A 83 -5.533 -9.263 -4.362 1.00 0.00 C ATOM 0 H ALA A 83 -4.200 -7.778 -2.896 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.127 -10.471 -2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.927 -10.091 -4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.356 -8.742 -3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.004 -8.571 -5.017 1.00 0.00 H new ATOM 1337 N LYS A 84 -2.359 -9.896 -4.274 1.00 0.00 N ATOM 1338 CA LYS A 84 -1.207 -10.532 -4.896 1.00 0.00 C ATOM 1339 C LYS A 84 -0.543 -11.512 -3.934 1.00 0.00 C ATOM 1340 O LYS A 84 -0.117 -12.595 -4.339 1.00 0.00 O ATOM 1341 CB LYS A 84 -0.194 -9.480 -5.349 1.00 0.00 C ATOM 1342 CG LYS A 84 0.959 -10.057 -6.155 1.00 0.00 C ATOM 1343 CD LYS A 84 1.772 -8.964 -6.829 1.00 0.00 C ATOM 1344 CE LYS A 84 1.012 -8.340 -7.989 1.00 0.00 C ATOM 1345 NZ LYS A 84 1.420 -8.922 -9.298 1.00 0.00 N ATOM 0 H LYS A 84 -2.250 -8.896 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.558 -11.084 -5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.706 -8.728 -5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.205 -8.970 -4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.606 -10.641 -5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.570 -10.740 -6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.023 -8.193 -6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.713 -9.379 -7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.058 -8.488 -7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.186 -7.264 -8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.879 -8.470 -10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.436 -8.758 -9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.230 -9.945 -9.297 1.00 0.00 H new ATOM 1359 N TYR A 85 -0.451 -11.135 -2.661 1.00 0.00 N ATOM 1360 CA TYR A 85 0.170 -12.002 -1.665 1.00 0.00 C ATOM 1361 C TYR A 85 -0.758 -13.144 -1.275 1.00 0.00 C ATOM 1362 O TYR A 85 -0.306 -14.258 -1.016 1.00 0.00 O ATOM 1363 CB TYR A 85 0.581 -11.208 -0.427 1.00 0.00 C ATOM 1364 CG TYR A 85 1.925 -11.633 0.128 1.00 0.00 C ATOM 1365 CD1 TYR A 85 3.106 -11.123 -0.397 1.00 0.00 C ATOM 1366 CD2 TYR A 85 2.012 -12.552 1.167 1.00 0.00 C ATOM 1367 CE1 TYR A 85 4.335 -11.515 0.096 1.00 0.00 C ATOM 1368 CE2 TYR A 85 3.239 -12.950 1.665 1.00 0.00 C ATOM 1369 CZ TYR A 85 4.397 -12.431 1.127 1.00 0.00 C ATOM 1370 OH TYR A 85 5.619 -12.825 1.621 1.00 0.00 O ATOM 0 H TYR A 85 -0.794 -10.246 -2.298 1.00 0.00 H new ATOM 0 HA TYR A 85 1.067 -12.428 -2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.616 -10.148 -0.677 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.179 -11.329 0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.062 -10.407 -1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.107 -12.961 1.592 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.243 -11.107 -0.323 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.290 -13.665 2.473 1.00 0.00 H new ATOM 0 HH TYR A 85 6.264 -12.094 1.521 1.00 0.00 H new ATOM 1380 N ARG A 86 -2.056 -12.869 -1.239 1.00 0.00 N ATOM 1381 CA ARG A 86 -3.030 -13.891 -0.889 1.00 0.00 C ATOM 1382 C ARG A 86 -3.013 -15.007 -1.932 1.00 0.00 C ATOM 1383 O ARG A 86 -3.008 -16.189 -1.592 1.00 0.00 O ATOM 1384 CB ARG A 86 -4.431 -13.265 -0.761 1.00 0.00 C ATOM 1385 CG ARG A 86 -5.509 -13.929 -1.612 1.00 0.00 C ATOM 1386 CD ARG A 86 -6.777 -13.091 -1.672 1.00 0.00 C ATOM 1387 NE ARG A 86 -7.056 -12.622 -3.028 1.00 0.00 N ATOM 1388 CZ ARG A 86 -8.253 -12.207 -3.438 1.00 0.00 C ATOM 1389 NH1 ARG A 86 -9.282 -12.195 -2.600 1.00 0.00 N ATOM 1390 NH2 ARG A 86 -8.421 -11.804 -4.689 1.00 0.00 N ATOM 0 H ARG A 86 -2.455 -11.953 -1.446 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.767 -14.326 0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.737 -13.305 0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.369 -12.212 -1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.129 -14.087 -2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.742 -14.912 -1.202 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.620 -13.681 -1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.678 -12.235 -1.005 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.289 -12.612 -3.700 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.158 -12.505 -1.636 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.197 -11.876 -2.920 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.634 -11.812 -5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.338 -11.486 -5.004 1.00 0.00 H new ATOM 1404 N ASP A 87 -2.983 -14.614 -3.200 1.00 0.00 N ATOM 1405 CA ASP A 87 -2.944 -15.575 -4.294 1.00 0.00 C ATOM 1406 C ASP A 87 -1.600 -16.288 -4.305 1.00 0.00 C ATOM 1407 O ASP A 87 -1.518 -17.491 -4.550 1.00 0.00 O ATOM 1408 CB ASP A 87 -3.181 -14.875 -5.632 1.00 0.00 C ATOM 1409 CG ASP A 87 -3.798 -15.797 -6.666 1.00 0.00 C ATOM 1410 OD1 ASP A 87 -5.022 -16.037 -6.593 1.00 0.00 O ATOM 1411 OD2 ASP A 87 -3.057 -16.281 -7.548 1.00 0.00 O ATOM 0 H ASP A 87 -2.985 -13.638 -3.495 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.737 -16.308 -4.145 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.835 -14.016 -5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.234 -14.491 -6.011 1.00 0.00 H new ATOM 1416 N PHE A 88 -0.548 -15.524 -4.033 1.00 0.00 N ATOM 1417 CA PHE A 88 0.806 -16.056 -4.000 1.00 0.00 C ATOM 1418 C PHE A 88 0.959 -17.096 -2.889 1.00 0.00 C ATOM 1419 O PHE A 88 1.553 -18.155 -3.095 1.00 0.00 O ATOM 1420 CB PHE A 88 1.807 -14.909 -3.793 1.00 0.00 C ATOM 1421 CG PHE A 88 3.239 -15.353 -3.678 1.00 0.00 C ATOM 1422 CD1 PHE A 88 3.783 -15.678 -2.444 1.00 0.00 C ATOM 1423 CD2 PHE A 88 4.046 -15.443 -4.803 1.00 0.00 C ATOM 1424 CE1 PHE A 88 5.093 -16.087 -2.337 1.00 0.00 C ATOM 1425 CE2 PHE A 88 5.360 -15.853 -4.698 1.00 0.00 C ATOM 1426 CZ PHE A 88 5.881 -16.179 -3.463 1.00 0.00 C ATOM 0 H PHE A 88 -0.610 -14.526 -3.831 1.00 0.00 H new ATOM 0 HA PHE A 88 1.009 -16.547 -4.952 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.721 -14.212 -4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.534 -14.362 -2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.171 -15.609 -1.557 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.642 -15.189 -5.772 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.503 -16.336 -1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.979 -15.918 -5.581 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.907 -16.506 -3.379 1.00 0.00 H new ATOM 1436 N LEU A 89 0.433 -16.779 -1.708 1.00 0.00 N ATOM 1437 CA LEU A 89 0.525 -17.677 -0.559 1.00 0.00 C ATOM 1438 C LEU A 89 -0.420 -18.877 -0.672 1.00 0.00 C ATOM 1439 O LEU A 89 -0.086 -19.976 -0.231 1.00 0.00 O ATOM 1440 CB LEU A 89 0.238 -16.902 0.732 1.00 0.00 C ATOM 1441 CG LEU A 89 0.886 -17.465 2.004 1.00 0.00 C ATOM 1442 CD1 LEU A 89 2.321 -17.898 1.745 1.00 0.00 C ATOM 1443 CD2 LEU A 89 0.841 -16.431 3.118 1.00 0.00 C ATOM 0 H LEU A 89 -0.062 -15.907 -1.521 1.00 0.00 H new ATOM 0 HA LEU A 89 1.541 -18.071 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.575 -15.874 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.841 -16.867 0.881 1.00 0.00 H new ATOM 0 HG LEU A 89 0.319 -18.344 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.754 -18.292 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.335 -18.671 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.904 -17.041 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.304 -16.842 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.383 -15.538 2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.196 -16.171 3.331 1.00 0.00 H new ATOM 1455 N LYS A 90 -1.603 -18.662 -1.240 1.00 0.00 N ATOM 1456 CA LYS A 90 -2.588 -19.735 -1.377 1.00 0.00 C ATOM 1457 C LYS A 90 -2.268 -20.660 -2.550 1.00 0.00 C ATOM 1458 O LYS A 90 -2.716 -21.807 -2.583 1.00 0.00 O ATOM 1459 CB LYS A 90 -3.993 -19.152 -1.546 1.00 0.00 C ATOM 1460 CG LYS A 90 -4.800 -19.132 -0.259 1.00 0.00 C ATOM 1461 CD LYS A 90 -4.370 -17.991 0.649 1.00 0.00 C ATOM 1462 CE LYS A 90 -4.893 -18.174 2.065 1.00 0.00 C ATOM 1463 NZ LYS A 90 -3.797 -18.483 3.026 1.00 0.00 N ATOM 0 H LYS A 90 -1.904 -17.761 -1.611 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.547 -20.328 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.912 -18.135 -1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.532 -19.734 -2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.860 -19.032 -0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.677 -20.081 0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.282 -17.931 0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.735 -17.047 0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.409 -17.267 2.382 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.627 -18.980 2.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.195 -18.601 3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.321 -19.362 2.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.110 -17.703 3.031 1.00 0.00 H new ATOM 1477 N SER A 91 -1.502 -20.159 -3.510 1.00 0.00 N ATOM 1478 CA SER A 91 -1.137 -20.949 -4.681 1.00 0.00 C ATOM 1479 C SER A 91 0.116 -21.778 -4.419 1.00 0.00 C ATOM 1480 O SER A 91 0.161 -22.971 -4.720 1.00 0.00 O ATOM 1481 CB SER A 91 -0.907 -20.032 -5.883 1.00 0.00 C ATOM 1482 OG SER A 91 -0.930 -20.765 -7.095 1.00 0.00 O ATOM 0 H SER A 91 -1.122 -19.213 -3.502 1.00 0.00 H new ATOM 0 HA SER A 91 -1.960 -21.630 -4.896 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.675 -19.259 -5.907 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.052 -19.525 -5.779 1.00 0.00 H new ATOM 0 HG SER A 91 -0.782 -20.156 -7.848 1.00 0.00 H new