USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=18 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 Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.72 K(o=-1.7,f=-5.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -96:sc= 1.14 USER MOD Single : A 16 LYS NZ :NH3+ -123:sc= -0.242 (180deg=-1.43) USER MOD Single : A 19 SER OG : rot -12:sc= 0.987 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 24 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 25 GLN : amide:sc= 1.11 K(o=1.1,f=-0.98) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 145:sc= -6.43! (180deg=-7.96!) USER MOD Single : A 39 THR OG1 : rot 75:sc= 1.29 USER MOD Single : A 45 MET CE :methyl -164:sc= -0.134 (180deg=-0.71) USER MOD Single : A 46 ASN : amide:sc= 0.885 K(o=0.89,f=-0.084) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= 0.867 F(o=-0.96,f=0.87) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 120:sc= -2.09 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.443 K(o=-0.44,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 146:sc= -0.344 (180deg=-1) USER MOD Single : A 68 GLN : amide:sc= -0.0315 X(o=-0.032,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 1.02 K(o=1,f=-0.46) USER MOD Single : A 76 THR OG1 : rot 19:sc= -0.442 USER MOD Single : A 79 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.3!) USER MOD Single : A 84 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0174) USER MOD Single : A 85 TYR OH : rot 180:sc= -4.81! USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= -0.0382 (180deg=-0.304) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 0.507 21.893 -6.593 1.00 0.00 N ATOM 63 CA LYS A 5 1.520 20.931 -7.026 1.00 0.00 C ATOM 64 C LYS A 5 2.325 20.371 -5.858 1.00 0.00 C ATOM 65 O LYS A 5 2.862 19.273 -5.947 1.00 0.00 O ATOM 66 CB LYS A 5 2.469 21.584 -8.033 1.00 0.00 C ATOM 67 CG LYS A 5 2.860 23.009 -7.675 1.00 0.00 C ATOM 68 CD LYS A 5 2.033 24.025 -8.447 1.00 0.00 C ATOM 69 CE LYS A 5 2.792 24.568 -9.647 1.00 0.00 C ATOM 70 NZ LYS A 5 2.416 25.976 -9.949 1.00 0.00 N ATOM 0 HA LYS A 5 0.992 20.100 -7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.372 20.979 -8.112 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.997 21.583 -9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.725 23.166 -6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.918 23.162 -7.889 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.105 23.561 -8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.758 24.848 -7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.863 24.511 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.590 23.943 -10.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.955 26.310 -10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.398 26.027 -10.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.632 26.577 -9.128 1.00 0.00 H new ATOM 84 N ALA A 6 2.409 21.121 -4.770 1.00 0.00 N ATOM 85 CA ALA A 6 3.153 20.670 -3.598 1.00 0.00 C ATOM 86 C ALA A 6 2.660 19.301 -3.127 1.00 0.00 C ATOM 87 O ALA A 6 3.455 18.395 -2.845 1.00 0.00 O ATOM 88 CB ALA A 6 3.038 21.690 -2.475 1.00 0.00 C ATOM 0 H ALA A 6 1.975 22.039 -4.671 1.00 0.00 H new ATOM 0 HA ALA A 6 4.202 20.573 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.598 21.341 -1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.444 22.645 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.990 21.816 -2.204 1.00 0.00 H new ATOM 94 N ASN A 7 1.339 19.143 -3.075 1.00 0.00 N ATOM 95 CA ASN A 7 0.746 17.880 -2.662 1.00 0.00 C ATOM 96 C ASN A 7 0.929 16.829 -3.748 1.00 0.00 C ATOM 97 O ASN A 7 1.115 15.650 -3.460 1.00 0.00 O ATOM 98 CB ASN A 7 -0.739 18.059 -2.338 1.00 0.00 C ATOM 99 CG ASN A 7 -1.530 18.615 -3.505 1.00 0.00 C ATOM 100 OD1 ASN A 7 -1.523 18.054 -4.600 1.00 0.00 O ATOM 101 ND2 ASN A 7 -2.219 19.724 -3.274 1.00 0.00 N ATOM 0 H ASN A 7 0.665 19.871 -3.313 1.00 0.00 H new ATOM 0 HA ASN A 7 1.255 17.542 -1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -1.161 17.098 -2.044 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -0.842 18.728 -1.483 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.772 20.146 -4.020 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.196 20.156 -2.350 1.00 0.00 H new ATOM 108 N LYS A 8 0.889 17.272 -5.000 1.00 0.00 N ATOM 109 CA LYS A 8 1.065 16.375 -6.133 1.00 0.00 C ATOM 110 C LYS A 8 2.506 15.876 -6.197 1.00 0.00 C ATOM 111 O LYS A 8 2.775 14.773 -6.669 1.00 0.00 O ATOM 112 CB LYS A 8 0.698 17.087 -7.437 1.00 0.00 C ATOM 113 CG LYS A 8 -0.216 16.273 -8.340 1.00 0.00 C ATOM 114 CD LYS A 8 -0.654 17.074 -9.555 1.00 0.00 C ATOM 115 CE LYS A 8 0.098 16.649 -10.807 1.00 0.00 C ATOM 116 NZ LYS A 8 1.171 17.618 -11.167 1.00 0.00 N ATOM 0 H LYS A 8 0.736 18.248 -5.254 1.00 0.00 H new ATOM 0 HA LYS A 8 0.403 15.519 -6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.212 18.033 -7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.612 17.326 -7.980 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.301 15.370 -8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.093 15.953 -7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.725 16.943 -9.711 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.486 18.135 -9.372 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.537 15.664 -10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.602 16.558 -11.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.659 17.292 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.750 18.553 -11.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.853 17.686 -10.385 1.00 0.00 H new ATOM 130 N ASP A 9 3.427 16.705 -5.713 1.00 0.00 N ATOM 131 CA ASP A 9 4.842 16.369 -5.706 1.00 0.00 C ATOM 132 C ASP A 9 5.144 15.335 -4.631 1.00 0.00 C ATOM 133 O ASP A 9 5.870 14.369 -4.875 1.00 0.00 O ATOM 134 CB ASP A 9 5.687 17.623 -5.476 1.00 0.00 C ATOM 135 CG ASP A 9 7.113 17.456 -5.960 1.00 0.00 C ATOM 136 OD1 ASP A 9 7.371 17.722 -7.153 1.00 0.00 O ATOM 137 OD2 ASP A 9 7.974 17.060 -5.146 1.00 0.00 O ATOM 0 H ASP A 9 3.213 17.621 -5.318 1.00 0.00 H new ATOM 0 HA ASP A 9 5.095 15.945 -6.678 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.228 18.467 -5.991 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.693 17.864 -4.413 1.00 0.00 H new ATOM 142 N LEU A 10 4.571 15.524 -3.443 1.00 0.00 N ATOM 143 CA LEU A 10 4.795 14.568 -2.364 1.00 0.00 C ATOM 144 C LEU A 10 3.922 13.336 -2.552 1.00 0.00 C ATOM 145 O LEU A 10 4.329 12.231 -2.204 1.00 0.00 O ATOM 146 CB LEU A 10 4.539 15.167 -0.982 1.00 0.00 C ATOM 147 CG LEU A 10 4.727 16.674 -0.860 1.00 0.00 C ATOM 148 CD1 LEU A 10 3.471 17.287 -0.285 1.00 0.00 C ATOM 149 CD2 LEU A 10 5.933 17.001 0.010 1.00 0.00 C ATOM 0 H LEU A 10 3.964 16.309 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 10 5.847 14.288 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.519 14.923 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.203 14.679 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 10 4.911 17.092 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.601 18.366 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.629 17.076 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.277 16.862 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.047 18.083 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.787 16.584 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.830 16.571 -0.435 1.00 0.00 H new ATOM 161 N ILE A 11 2.718 13.517 -3.097 1.00 0.00 N ATOM 162 CA ILE A 11 1.836 12.378 -3.309 1.00 0.00 C ATOM 163 C ILE A 11 2.460 11.433 -4.323 1.00 0.00 C ATOM 164 O ILE A 11 2.592 10.237 -4.064 1.00 0.00 O ATOM 165 CB ILE A 11 0.417 12.809 -3.766 1.00 0.00 C ATOM 166 CG1 ILE A 11 -0.610 11.748 -3.369 1.00 0.00 C ATOM 167 CG2 ILE A 11 0.352 13.073 -5.265 1.00 0.00 C ATOM 168 CD1 ILE A 11 -2.004 12.301 -3.168 1.00 0.00 C ATOM 0 H ILE A 11 2.342 14.418 -3.392 1.00 0.00 H new ATOM 0 HA ILE A 11 1.717 11.865 -2.355 1.00 0.00 H new ATOM 0 HB ILE A 11 0.182 13.746 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.641 10.978 -4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.283 11.265 -2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.660 13.372 -5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.048 13.870 -5.525 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.621 12.166 -5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.679 11.492 -2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.988 13.050 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.351 12.759 -4.094 1.00 0.00 H new ATOM 180 N SER A 12 2.853 11.969 -5.476 1.00 0.00 N ATOM 181 CA SER A 12 3.469 11.158 -6.512 1.00 0.00 C ATOM 182 C SER A 12 4.823 10.644 -6.052 1.00 0.00 C ATOM 183 O SER A 12 5.198 9.513 -6.360 1.00 0.00 O ATOM 184 CB SER A 12 3.629 11.970 -7.799 1.00 0.00 C ATOM 185 OG SER A 12 4.409 13.132 -7.576 1.00 0.00 O ATOM 0 H SER A 12 2.755 12.957 -5.712 1.00 0.00 H new ATOM 0 HA SER A 12 2.820 10.305 -6.711 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.100 11.354 -8.565 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.647 12.254 -8.178 1.00 0.00 H new ATOM 0 HG SER A 12 3.818 13.897 -7.415 1.00 0.00 H new ATOM 191 N ALA A 13 5.558 11.470 -5.309 1.00 0.00 N ATOM 192 CA ALA A 13 6.863 11.053 -4.819 1.00 0.00 C ATOM 193 C ALA A 13 6.697 9.909 -3.834 1.00 0.00 C ATOM 194 O ALA A 13 7.395 8.895 -3.909 1.00 0.00 O ATOM 195 CB ALA A 13 7.595 12.220 -4.175 1.00 0.00 C ATOM 0 H ALA A 13 5.277 12.413 -5.039 1.00 0.00 H new ATOM 0 HA ALA A 13 7.464 10.709 -5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.568 11.885 -3.816 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.733 13.013 -4.910 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.010 12.599 -3.337 1.00 0.00 H new ATOM 201 N GLY A 14 5.752 10.064 -2.917 1.00 0.00 N ATOM 202 CA GLY A 14 5.501 9.022 -1.950 1.00 0.00 C ATOM 203 C GLY A 14 4.888 7.800 -2.598 1.00 0.00 C ATOM 204 O GLY A 14 5.125 6.678 -2.158 1.00 0.00 O ATOM 0 H GLY A 14 5.159 10.889 -2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.435 8.746 -1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.834 9.397 -1.174 1.00 0.00 H new ATOM 208 N LEU A 15 4.099 8.017 -3.651 1.00 0.00 N ATOM 209 CA LEU A 15 3.458 6.910 -4.350 1.00 0.00 C ATOM 210 C LEU A 15 4.472 6.141 -5.192 1.00 0.00 C ATOM 211 O LEU A 15 4.432 4.912 -5.246 1.00 0.00 O ATOM 212 CB LEU A 15 2.333 7.433 -5.248 1.00 0.00 C ATOM 213 CG LEU A 15 0.920 7.282 -4.682 1.00 0.00 C ATOM 214 CD1 LEU A 15 0.733 8.181 -3.469 1.00 0.00 C ATOM 215 CD2 LEU A 15 -0.116 7.599 -5.753 1.00 0.00 C ATOM 0 H LEU A 15 3.892 8.940 -4.033 1.00 0.00 H new ATOM 0 HA LEU A 15 3.039 6.234 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.514 8.488 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.381 6.911 -6.204 1.00 0.00 H new ATOM 0 HG LEU A 15 0.781 6.249 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.278 8.061 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.454 7.907 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.889 9.220 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.117 7.487 -5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.020 8.623 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.006 6.913 -6.591 1.00 0.00 H new ATOM 227 N LYS A 16 5.385 6.858 -5.850 1.00 0.00 N ATOM 228 CA LYS A 16 6.393 6.208 -6.677 1.00 0.00 C ATOM 229 C LYS A 16 7.287 5.337 -5.806 1.00 0.00 C ATOM 230 O LYS A 16 7.452 4.145 -6.064 1.00 0.00 O ATOM 231 CB LYS A 16 7.223 7.242 -7.451 1.00 0.00 C ATOM 232 CG LYS A 16 8.261 7.956 -6.603 1.00 0.00 C ATOM 233 CD LYS A 16 8.926 9.088 -7.353 1.00 0.00 C ATOM 234 CE LYS A 16 9.736 8.583 -8.536 1.00 0.00 C ATOM 235 NZ LYS A 16 8.916 8.498 -9.776 1.00 0.00 N ATOM 0 H LYS A 16 5.444 7.876 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 16 5.890 5.577 -7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.726 6.743 -8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.551 7.982 -7.885 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.787 8.347 -5.703 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.018 7.242 -6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.167 9.787 -7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.578 9.640 -6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.583 9.248 -8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.144 7.600 -8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.944 7.526 -10.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.932 8.758 -9.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.298 9.150 -10.490 1.00 0.00 H new ATOM 249 N GLU A 17 7.846 5.933 -4.753 1.00 0.00 N ATOM 250 CA GLU A 17 8.699 5.191 -3.836 1.00 0.00 C ATOM 251 C GLU A 17 7.930 4.012 -3.250 1.00 0.00 C ATOM 252 O GLU A 17 8.462 2.909 -3.120 1.00 0.00 O ATOM 253 CB GLU A 17 9.198 6.103 -2.713 1.00 0.00 C ATOM 254 CG GLU A 17 10.591 5.752 -2.217 1.00 0.00 C ATOM 255 CD GLU A 17 11.685 6.422 -3.025 1.00 0.00 C ATOM 256 OE1 GLU A 17 11.767 7.668 -2.993 1.00 0.00 O ATOM 257 OE2 GLU A 17 12.460 5.701 -3.687 1.00 0.00 O ATOM 0 H GLU A 17 7.723 6.918 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 17 9.561 4.816 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.196 7.134 -3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.500 6.051 -1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.685 6.046 -1.172 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.725 4.671 -2.257 1.00 0.00 H new ATOM 264 N PHE A 18 6.668 4.258 -2.901 1.00 0.00 N ATOM 265 CA PHE A 18 5.810 3.227 -2.331 1.00 0.00 C ATOM 266 C PHE A 18 5.682 2.032 -3.267 1.00 0.00 C ATOM 267 O PHE A 18 5.759 0.886 -2.835 1.00 0.00 O ATOM 268 CB PHE A 18 4.422 3.796 -2.026 1.00 0.00 C ATOM 269 CG PHE A 18 3.603 2.937 -1.104 1.00 0.00 C ATOM 270 CD1 PHE A 18 3.840 2.946 0.261 1.00 0.00 C ATOM 271 CD2 PHE A 18 2.597 2.125 -1.601 1.00 0.00 C ATOM 272 CE1 PHE A 18 3.088 2.161 1.115 1.00 0.00 C ATOM 273 CE2 PHE A 18 1.840 1.337 -0.752 1.00 0.00 C ATOM 274 CZ PHE A 18 2.088 1.355 0.608 1.00 0.00 C ATOM 0 H PHE A 18 6.218 5.167 -3.005 1.00 0.00 H new ATOM 0 HA PHE A 18 6.272 2.888 -1.404 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.535 4.785 -1.582 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.880 3.927 -2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.622 3.574 0.663 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.401 2.107 -2.663 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.282 2.178 2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.057 0.709 -1.151 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.500 0.739 1.273 1.00 0.00 H new ATOM 284 N SER A 19 5.464 2.302 -4.546 1.00 0.00 N ATOM 285 CA SER A 19 5.307 1.239 -5.533 1.00 0.00 C ATOM 286 C SER A 19 6.598 0.447 -5.720 1.00 0.00 C ATOM 287 O SER A 19 6.566 -0.771 -5.868 1.00 0.00 O ATOM 288 CB SER A 19 4.862 1.827 -6.873 1.00 0.00 C ATOM 289 OG SER A 19 5.763 2.827 -7.316 1.00 0.00 O ATOM 0 H SER A 19 5.392 3.246 -4.926 1.00 0.00 H new ATOM 0 HA SER A 19 4.544 0.555 -5.162 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.799 1.034 -7.618 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.863 2.252 -6.774 1.00 0.00 H new ATOM 0 HG SER A 19 6.370 3.067 -6.585 1.00 0.00 H new ATOM 295 N VAL A 20 7.732 1.138 -5.711 1.00 0.00 N ATOM 296 CA VAL A 20 9.023 0.475 -5.885 1.00 0.00 C ATOM 297 C VAL A 20 9.332 -0.432 -4.701 1.00 0.00 C ATOM 298 O VAL A 20 9.872 -1.527 -4.860 1.00 0.00 O ATOM 299 CB VAL A 20 10.171 1.491 -6.043 1.00 0.00 C ATOM 300 CG1 VAL A 20 11.386 0.830 -6.676 1.00 0.00 C ATOM 301 CG2 VAL A 20 9.723 2.694 -6.860 1.00 0.00 C ATOM 0 H VAL A 20 7.786 2.149 -5.586 1.00 0.00 H new ATOM 0 HA VAL A 20 8.949 -0.119 -6.796 1.00 0.00 H new ATOM 0 HB VAL A 20 10.452 1.845 -5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.186 1.563 -6.780 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.725 0.010 -6.043 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.119 0.443 -7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.551 3.396 -6.957 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.408 2.365 -7.850 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.888 3.184 -6.358 1.00 0.00 H new ATOM 311 N LEU A 21 8.982 0.039 -3.513 1.00 0.00 N ATOM 312 CA LEU A 21 9.211 -0.710 -2.283 1.00 0.00 C ATOM 313 C LEU A 21 8.174 -1.827 -2.132 1.00 0.00 C ATOM 314 O LEU A 21 8.495 -2.938 -1.710 1.00 0.00 O ATOM 315 CB LEU A 21 9.198 0.279 -1.095 1.00 0.00 C ATOM 316 CG LEU A 21 8.405 -0.111 0.165 1.00 0.00 C ATOM 317 CD1 LEU A 21 6.908 -0.098 -0.101 1.00 0.00 C ATOM 318 CD2 LEU A 21 8.843 -1.463 0.701 1.00 0.00 C ATOM 0 H LEU A 21 8.534 0.945 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 21 10.184 -1.200 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.231 0.456 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.804 1.229 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 21 8.620 0.637 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.375 -0.378 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.602 0.902 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.673 -0.809 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.263 -1.707 1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.679 -2.226 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.902 -1.427 0.957 1.00 0.00 H new ATOM 330 N LEU A 22 6.930 -1.509 -2.462 1.00 0.00 N ATOM 331 CA LEU A 22 5.823 -2.455 -2.349 1.00 0.00 C ATOM 332 C LEU A 22 5.861 -3.556 -3.417 1.00 0.00 C ATOM 333 O LEU A 22 5.590 -4.719 -3.120 1.00 0.00 O ATOM 334 CB LEU A 22 4.497 -1.700 -2.436 1.00 0.00 C ATOM 335 CG LEU A 22 3.280 -2.460 -1.903 1.00 0.00 C ATOM 336 CD1 LEU A 22 2.547 -1.636 -0.852 1.00 0.00 C ATOM 337 CD2 LEU A 22 2.343 -2.827 -3.044 1.00 0.00 C ATOM 0 H LEU A 22 6.658 -0.591 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 22 5.922 -2.949 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.592 -0.765 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.314 -1.437 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 22 3.629 -3.379 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.686 -2.195 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.220 -1.424 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.210 -0.699 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.483 -3.367 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.004 -1.919 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.870 -3.458 -3.759 1.00 0.00 H new ATOM 349 N ASN A 23 6.168 -3.189 -4.657 1.00 0.00 N ATOM 350 CA ASN A 23 6.201 -4.162 -5.754 1.00 0.00 C ATOM 351 C ASN A 23 7.370 -5.141 -5.627 1.00 0.00 C ATOM 352 O ASN A 23 7.296 -6.268 -6.113 1.00 0.00 O ATOM 353 CB ASN A 23 6.276 -3.445 -7.104 1.00 0.00 C ATOM 354 CG ASN A 23 5.241 -3.952 -8.087 1.00 0.00 C ATOM 355 OD1 ASN A 23 4.963 -5.149 -8.154 1.00 0.00 O ATOM 356 ND2 ASN A 23 4.662 -3.037 -8.857 1.00 0.00 N ATOM 0 H ASN A 23 6.397 -2.233 -4.931 1.00 0.00 H new ATOM 0 HA ASN A 23 5.277 -4.737 -5.694 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.135 -2.375 -6.952 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.271 -3.578 -7.528 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.956 -3.316 -9.538 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.924 -2.055 -8.767 1.00 0.00 H new ATOM 363 N GLN A 24 8.456 -4.699 -5.004 1.00 0.00 N ATOM 364 CA GLN A 24 9.649 -5.533 -4.854 1.00 0.00 C ATOM 365 C GLN A 24 9.430 -6.753 -3.954 1.00 0.00 C ATOM 366 O GLN A 24 10.377 -7.485 -3.669 1.00 0.00 O ATOM 367 CB GLN A 24 10.812 -4.698 -4.318 1.00 0.00 C ATOM 368 CG GLN A 24 11.617 -4.006 -5.405 1.00 0.00 C ATOM 369 CD GLN A 24 12.931 -3.451 -4.893 1.00 0.00 C ATOM 370 OE1 GLN A 24 13.886 -4.192 -4.667 1.00 0.00 O ATOM 371 NE2 GLN A 24 12.985 -2.137 -4.704 1.00 0.00 N ATOM 0 H GLN A 24 8.538 -3.769 -4.594 1.00 0.00 H new ATOM 0 HA GLN A 24 9.884 -5.913 -5.848 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.422 -3.946 -3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.475 -5.343 -3.741 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.815 -4.713 -6.211 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.025 -3.195 -5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.169 -1.559 -4.904 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.843 -1.706 -4.359 1.00 0.00 H new ATOM 380 N GLN A 25 8.196 -6.994 -3.526 1.00 0.00 N ATOM 381 CA GLN A 25 7.913 -8.154 -2.689 1.00 0.00 C ATOM 382 C GLN A 25 8.025 -9.428 -3.522 1.00 0.00 C ATOM 383 O GLN A 25 7.734 -9.423 -4.716 1.00 0.00 O ATOM 384 CB GLN A 25 6.521 -8.042 -2.066 1.00 0.00 C ATOM 385 CG GLN A 25 6.533 -7.579 -0.617 1.00 0.00 C ATOM 386 CD GLN A 25 7.381 -6.338 -0.404 1.00 0.00 C ATOM 387 OE1 GLN A 25 8.386 -6.373 0.306 1.00 0.00 O ATOM 388 NE2 GLN A 25 6.979 -5.233 -1.019 1.00 0.00 N ATOM 0 H GLN A 25 7.387 -6.412 -3.740 1.00 0.00 H new ATOM 0 HA GLN A 25 8.643 -8.193 -1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.924 -7.346 -2.655 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.028 -9.012 -2.124 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.511 -7.375 -0.297 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.910 -8.384 0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.140 -5.248 -1.598 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.509 -4.368 -0.912 1.00 0.00 H new ATOM 397 N VAL A 26 8.467 -10.512 -2.894 1.00 0.00 N ATOM 398 CA VAL A 26 8.633 -11.784 -3.592 1.00 0.00 C ATOM 399 C VAL A 26 7.331 -12.578 -3.642 1.00 0.00 C ATOM 400 O VAL A 26 6.704 -12.825 -2.612 1.00 0.00 O ATOM 401 CB VAL A 26 9.717 -12.650 -2.922 1.00 0.00 C ATOM 402 CG1 VAL A 26 11.076 -11.971 -3.013 1.00 0.00 C ATOM 403 CG2 VAL A 26 9.351 -12.943 -1.472 1.00 0.00 C ATOM 0 H VAL A 26 8.717 -10.537 -1.905 1.00 0.00 H new ATOM 0 HA VAL A 26 8.938 -11.540 -4.610 1.00 0.00 H new ATOM 0 HB VAL A 26 9.776 -13.600 -3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.829 -12.598 -2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.339 -11.823 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.035 -11.005 -2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.129 -13.556 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.260 -12.006 -0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.402 -13.478 -1.437 1.00 0.00 H new ATOM 413 N PHE A 27 6.934 -12.990 -4.846 1.00 0.00 N ATOM 414 CA PHE A 27 5.712 -13.770 -5.020 1.00 0.00 C ATOM 415 C PHE A 27 5.954 -14.990 -5.905 1.00 0.00 C ATOM 416 O PHE A 27 5.715 -14.941 -7.112 1.00 0.00 O ATOM 417 CB PHE A 27 4.610 -12.925 -5.664 1.00 0.00 C ATOM 418 CG PHE A 27 4.245 -11.680 -4.912 1.00 0.00 C ATOM 419 CD1 PHE A 27 5.103 -10.589 -4.874 1.00 0.00 C ATOM 420 CD2 PHE A 27 3.027 -11.594 -4.260 1.00 0.00 C ATOM 421 CE1 PHE A 27 4.749 -9.441 -4.193 1.00 0.00 C ATOM 422 CE2 PHE A 27 2.669 -10.449 -3.582 1.00 0.00 C ATOM 423 CZ PHE A 27 3.531 -9.372 -3.546 1.00 0.00 C ATOM 0 H PHE A 27 7.439 -12.797 -5.711 1.00 0.00 H new ATOM 0 HA PHE A 27 5.401 -14.094 -4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.928 -12.645 -6.668 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.717 -13.541 -5.772 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.055 -10.639 -5.381 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.349 -12.434 -4.283 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.424 -8.598 -4.166 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.715 -10.395 -3.079 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.253 -8.475 -3.012 1.00 0.00 H new ATOM 433 N ASN A 28 6.412 -16.089 -5.315 1.00 0.00 N ATOM 434 CA ASN A 28 6.661 -17.311 -6.068 1.00 0.00 C ATOM 435 C ASN A 28 6.240 -18.515 -5.238 1.00 0.00 C ATOM 436 O ASN A 28 5.409 -19.322 -5.657 1.00 0.00 O ATOM 437 CB ASN A 28 8.141 -17.418 -6.443 1.00 0.00 C ATOM 438 CG ASN A 28 8.349 -18.034 -7.811 1.00 0.00 C ATOM 439 OD1 ASN A 28 7.858 -19.127 -8.094 1.00 0.00 O ATOM 440 ND2 ASN A 28 9.079 -17.334 -8.671 1.00 0.00 N ATOM 0 H ASN A 28 6.618 -16.158 -4.318 1.00 0.00 H new ATOM 0 HA ASN A 28 6.076 -17.286 -6.988 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.590 -16.425 -6.423 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.660 -18.018 -5.695 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.252 -17.698 -9.608 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.467 -16.432 -8.395 1.00 0.00 H new ATOM 447 N ASP A 29 6.806 -18.604 -4.043 1.00 0.00 N ATOM 448 CA ASP A 29 6.491 -19.676 -3.108 1.00 0.00 C ATOM 449 C ASP A 29 6.074 -19.075 -1.769 1.00 0.00 C ATOM 450 O ASP A 29 6.885 -18.454 -1.085 1.00 0.00 O ATOM 451 CB ASP A 29 7.697 -20.599 -2.921 1.00 0.00 C ATOM 452 CG ASP A 29 7.295 -22.054 -2.768 1.00 0.00 C ATOM 453 OD1 ASP A 29 7.193 -22.753 -3.797 1.00 0.00 O ATOM 454 OD2 ASP A 29 7.082 -22.493 -1.618 1.00 0.00 O ATOM 0 H ASP A 29 7.495 -17.937 -3.694 1.00 0.00 H new ATOM 0 HA ASP A 29 5.669 -20.268 -3.511 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.365 -20.498 -3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.258 -20.285 -2.040 1.00 0.00 H new ATOM 459 N ALA A 30 4.793 -19.200 -1.433 1.00 0.00 N ATOM 460 CA ALA A 30 4.269 -18.598 -0.212 1.00 0.00 C ATOM 461 C ALA A 30 4.729 -19.312 1.056 1.00 0.00 C ATOM 462 O ALA A 30 4.853 -20.536 1.105 1.00 0.00 O ATOM 463 CB ALA A 30 2.749 -18.561 -0.266 1.00 0.00 C ATOM 0 H ALA A 30 4.103 -19.709 -1.985 1.00 0.00 H new ATOM 0 HA ALA A 30 4.669 -17.585 -0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.363 -18.110 0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.430 -17.970 -1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.363 -19.576 -0.361 1.00 0.00 H new ATOM 469 N LEU A 31 4.980 -18.498 2.079 1.00 0.00 N ATOM 470 CA LEU A 31 5.433 -18.981 3.382 1.00 0.00 C ATOM 471 C LEU A 31 5.520 -17.839 4.399 1.00 0.00 C ATOM 472 O LEU A 31 5.367 -18.059 5.601 1.00 0.00 O ATOM 473 CB LEU A 31 6.789 -19.697 3.258 1.00 0.00 C ATOM 474 CG LEU A 31 8.002 -18.819 2.908 1.00 0.00 C ATOM 475 CD1 LEU A 31 7.743 -17.992 1.658 1.00 0.00 C ATOM 476 CD2 LEU A 31 8.381 -17.921 4.078 1.00 0.00 C ATOM 0 H LEU A 31 4.875 -17.485 2.028 1.00 0.00 H new ATOM 0 HA LEU A 31 4.696 -19.698 3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.995 -20.202 4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.697 -20.471 2.496 1.00 0.00 H new ATOM 0 HG LEU A 31 8.841 -19.484 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.619 -17.382 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.542 -18.656 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.882 -17.344 1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.242 -17.311 3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.541 -17.273 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.633 -18.536 4.942 1.00 0.00 H new ATOM 488 N VAL A 32 5.765 -16.623 3.911 1.00 0.00 N ATOM 489 CA VAL A 32 5.875 -15.450 4.774 1.00 0.00 C ATOM 490 C VAL A 32 4.635 -15.273 5.650 1.00 0.00 C ATOM 491 O VAL A 32 4.677 -14.561 6.653 1.00 0.00 O ATOM 492 CB VAL A 32 6.086 -14.170 3.942 1.00 0.00 C ATOM 493 CG1 VAL A 32 4.927 -13.966 2.979 1.00 0.00 C ATOM 494 CG2 VAL A 32 6.258 -12.955 4.844 1.00 0.00 C ATOM 0 H VAL A 32 5.891 -16.426 2.918 1.00 0.00 H new ATOM 0 HA VAL A 32 6.739 -15.615 5.417 1.00 0.00 H new ATOM 0 HB VAL A 32 7.001 -14.288 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.091 -13.058 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.859 -14.820 2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.998 -13.874 3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.405 -12.065 4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.367 -12.829 5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.125 -13.100 5.488 1.00 0.00 H new ATOM 504 N SER A 33 3.533 -15.917 5.258 1.00 0.00 N ATOM 505 CA SER A 33 2.273 -15.831 5.997 1.00 0.00 C ATOM 506 C SER A 33 1.476 -14.606 5.563 1.00 0.00 C ATOM 507 O SER A 33 2.037 -13.628 5.070 1.00 0.00 O ATOM 508 CB SER A 33 2.516 -15.790 7.510 1.00 0.00 C ATOM 509 OG SER A 33 1.435 -16.372 8.217 1.00 0.00 O ATOM 0 H SER A 33 3.489 -16.507 4.427 1.00 0.00 H new ATOM 0 HA SER A 33 1.696 -16.727 5.768 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.438 -16.321 7.748 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.651 -14.757 7.832 1.00 0.00 H new ATOM 0 HG SER A 33 1.616 -16.335 9.179 1.00 0.00 H new ATOM 515 N GLU A 34 0.163 -14.674 5.740 1.00 0.00 N ATOM 516 CA GLU A 34 -0.719 -13.580 5.358 1.00 0.00 C ATOM 517 C GLU A 34 -0.584 -12.395 6.308 1.00 0.00 C ATOM 518 O GLU A 34 -0.471 -11.249 5.875 1.00 0.00 O ATOM 519 CB GLU A 34 -2.171 -14.066 5.336 1.00 0.00 C ATOM 520 CG GLU A 34 -3.193 -12.961 5.122 1.00 0.00 C ATOM 521 CD GLU A 34 -4.617 -13.445 5.306 1.00 0.00 C ATOM 522 OE1 GLU A 34 -5.117 -14.167 4.418 1.00 0.00 O ATOM 523 OE2 GLU A 34 -5.231 -13.106 6.339 1.00 0.00 O ATOM 0 H GLU A 34 -0.315 -15.478 6.147 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.428 -13.247 4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.283 -14.807 4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.388 -14.570 6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.996 -12.148 5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.078 -12.553 4.118 1.00 0.00 H new ATOM 530 N GLU A 35 -0.607 -12.678 7.602 1.00 0.00 N ATOM 531 CA GLU A 35 -0.504 -11.633 8.614 1.00 0.00 C ATOM 532 C GLU A 35 0.819 -10.885 8.519 1.00 0.00 C ATOM 533 O GLU A 35 0.877 -9.681 8.773 1.00 0.00 O ATOM 534 CB GLU A 35 -0.668 -12.231 10.011 1.00 0.00 C ATOM 535 CG GLU A 35 -0.985 -11.199 11.081 1.00 0.00 C ATOM 536 CD GLU A 35 -2.416 -11.290 11.576 1.00 0.00 C ATOM 537 OE1 GLU A 35 -3.322 -10.803 10.868 1.00 0.00 O ATOM 538 OE2 GLU A 35 -2.630 -11.847 12.673 1.00 0.00 O ATOM 0 H GLU A 35 -0.696 -13.622 7.978 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.306 -10.918 8.431 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.465 -12.974 9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.249 -12.754 10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.305 -11.333 11.922 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.806 -10.201 10.682 1.00 0.00 H new ATOM 545 N ASP A 36 1.883 -11.590 8.152 1.00 0.00 N ATOM 546 CA ASP A 36 3.191 -10.961 8.029 1.00 0.00 C ATOM 547 C ASP A 36 3.171 -9.903 6.938 1.00 0.00 C ATOM 548 O ASP A 36 3.470 -8.733 7.187 1.00 0.00 O ATOM 549 CB ASP A 36 4.268 -12.009 7.733 1.00 0.00 C ATOM 550 CG ASP A 36 5.572 -11.717 8.449 1.00 0.00 C ATOM 551 OD1 ASP A 36 5.688 -12.068 9.642 1.00 0.00 O ATOM 552 OD2 ASP A 36 6.479 -11.136 7.815 1.00 0.00 O ATOM 0 H ASP A 36 1.866 -12.587 7.937 1.00 0.00 H new ATOM 0 HA ASP A 36 3.430 -10.479 8.977 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.905 -12.993 8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.448 -12.048 6.659 1.00 0.00 H new ATOM 557 N MET A 37 2.791 -10.305 5.730 1.00 0.00 N ATOM 558 CA MET A 37 2.714 -9.365 4.623 1.00 0.00 C ATOM 559 C MET A 37 1.718 -8.268 4.957 1.00 0.00 C ATOM 560 O MET A 37 1.973 -7.088 4.719 1.00 0.00 O ATOM 561 CB MET A 37 2.301 -10.059 3.330 1.00 0.00 C ATOM 562 CG MET A 37 2.281 -9.114 2.140 1.00 0.00 C ATOM 563 SD MET A 37 0.622 -8.826 1.496 1.00 0.00 S ATOM 564 CE MET A 37 0.999 -7.810 0.071 1.00 0.00 C ATOM 0 H MET A 37 2.535 -11.264 5.496 1.00 0.00 H new ATOM 0 HA MET A 37 3.704 -8.935 4.472 1.00 0.00 H new ATOM 0 HB2 MET A 37 2.989 -10.879 3.126 1.00 0.00 H new ATOM 0 HB3 MET A 37 1.311 -10.498 3.458 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.722 -8.161 2.433 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.906 -9.524 1.347 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.301 -8.039 -0.734 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.910 -6.758 0.341 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.016 -8.014 -0.262 1.00 0.00 H new ATOM 574 N VAL A 38 0.572 -8.670 5.498 1.00 0.00 N ATOM 575 CA VAL A 38 -0.469 -7.718 5.847 1.00 0.00 C ATOM 576 C VAL A 38 0.075 -6.663 6.801 1.00 0.00 C ATOM 577 O VAL A 38 -0.182 -5.474 6.619 1.00 0.00 O ATOM 578 CB VAL A 38 -1.684 -8.421 6.491 1.00 0.00 C ATOM 579 CG1 VAL A 38 -2.685 -7.405 7.027 1.00 0.00 C ATOM 580 CG2 VAL A 38 -2.351 -9.352 5.490 1.00 0.00 C ATOM 0 H VAL A 38 0.344 -9.643 5.702 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.798 -7.239 4.925 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.325 -9.014 7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.530 -7.928 7.475 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.203 -6.782 7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.039 -6.777 6.210 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.205 -9.839 5.960 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.690 -8.777 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.636 -10.108 5.164 1.00 0.00 H new ATOM 590 N THR A 39 0.836 -7.083 7.809 1.00 0.00 N ATOM 591 CA THR A 39 1.408 -6.135 8.752 1.00 0.00 C ATOM 592 C THR A 39 2.436 -5.248 8.060 1.00 0.00 C ATOM 593 O THR A 39 2.637 -4.097 8.448 1.00 0.00 O ATOM 594 CB THR A 39 2.057 -6.874 9.924 1.00 0.00 C ATOM 595 OG1 THR A 39 1.116 -7.710 10.573 1.00 0.00 O ATOM 596 CG2 THR A 39 2.645 -5.948 10.966 1.00 0.00 C ATOM 0 H THR A 39 1.067 -8.060 7.990 1.00 0.00 H new ATOM 0 HA THR A 39 0.605 -5.506 9.135 1.00 0.00 H new ATOM 0 HB THR A 39 2.866 -7.457 9.484 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.954 -8.506 10.025 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.089 -6.538 11.768 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.412 -5.324 10.507 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.858 -5.314 11.374 1.00 0.00 H new ATOM 604 N VAL A 40 3.086 -5.788 7.030 1.00 0.00 N ATOM 605 CA VAL A 40 4.092 -5.039 6.285 1.00 0.00 C ATOM 606 C VAL A 40 3.467 -3.854 5.550 1.00 0.00 C ATOM 607 O VAL A 40 3.921 -2.716 5.687 1.00 0.00 O ATOM 608 CB VAL A 40 4.821 -5.942 5.268 1.00 0.00 C ATOM 609 CG1 VAL A 40 5.873 -5.154 4.499 1.00 0.00 C ATOM 610 CG2 VAL A 40 5.448 -7.138 5.973 1.00 0.00 C ATOM 0 H VAL A 40 2.933 -6.739 6.694 1.00 0.00 H new ATOM 0 HA VAL A 40 4.814 -4.666 7.011 1.00 0.00 H new ATOM 0 HB VAL A 40 4.088 -6.311 4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.373 -5.812 3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.394 -4.336 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.606 -4.749 5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.958 -7.765 5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.166 -6.788 6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.669 -7.718 6.468 1.00 0.00 H new ATOM 620 N VAL A 41 2.419 -4.122 4.777 1.00 0.00 N ATOM 621 CA VAL A 41 1.735 -3.070 4.032 1.00 0.00 C ATOM 622 C VAL A 41 1.056 -2.092 4.985 1.00 0.00 C ATOM 623 O VAL A 41 0.995 -0.891 4.721 1.00 0.00 O ATOM 624 CB VAL A 41 0.679 -3.652 3.066 1.00 0.00 C ATOM 625 CG1 VAL A 41 -0.035 -2.538 2.312 1.00 0.00 C ATOM 626 CG2 VAL A 41 1.318 -4.630 2.090 1.00 0.00 C ATOM 0 H VAL A 41 2.026 -5.055 4.650 1.00 0.00 H new ATOM 0 HA VAL A 41 2.492 -2.547 3.447 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.058 -4.193 3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.774 -2.971 1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.534 -1.879 3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.691 -1.966 1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.555 -5.027 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.081 -4.115 1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.776 -5.450 2.644 1.00 0.00 H new ATOM 636 N GLU A 42 0.539 -2.618 6.088 1.00 0.00 N ATOM 637 CA GLU A 42 -0.148 -1.801 7.082 1.00 0.00 C ATOM 638 C GLU A 42 0.813 -0.835 7.774 1.00 0.00 C ATOM 639 O GLU A 42 0.482 0.333 7.985 1.00 0.00 O ATOM 640 CB GLU A 42 -0.832 -2.694 8.121 1.00 0.00 C ATOM 641 CG GLU A 42 -2.349 -2.636 8.065 1.00 0.00 C ATOM 642 CD GLU A 42 -2.952 -1.948 9.275 1.00 0.00 C ATOM 643 OE1 GLU A 42 -2.906 -2.537 10.376 1.00 0.00 O ATOM 644 OE2 GLU A 42 -3.467 -0.821 9.123 1.00 0.00 O ATOM 0 H GLU A 42 0.582 -3.611 6.318 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.903 -1.210 6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.510 -3.724 7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.501 -2.398 9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.656 -2.109 7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.745 -3.649 7.993 1.00 0.00 H new ATOM 651 N ASP A 43 1.999 -1.321 8.131 1.00 0.00 N ATOM 652 CA ASP A 43 2.979 -0.477 8.802 1.00 0.00 C ATOM 653 C ASP A 43 3.523 0.589 7.858 1.00 0.00 C ATOM 654 O ASP A 43 3.711 1.737 8.259 1.00 0.00 O ATOM 655 CB ASP A 43 4.123 -1.307 9.398 1.00 0.00 C ATOM 656 CG ASP A 43 4.864 -2.135 8.369 1.00 0.00 C ATOM 657 OD1 ASP A 43 5.326 -1.564 7.360 1.00 0.00 O ATOM 658 OD2 ASP A 43 4.996 -3.358 8.583 1.00 0.00 O ATOM 0 H ASP A 43 2.301 -2.282 7.969 1.00 0.00 H new ATOM 0 HA ASP A 43 2.468 0.024 9.624 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.828 -0.638 9.892 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.721 -1.969 10.165 1.00 0.00 H new ATOM 663 N TRP A 44 3.768 0.221 6.601 1.00 0.00 N ATOM 664 CA TRP A 44 4.279 1.177 5.627 1.00 0.00 C ATOM 665 C TRP A 44 3.274 2.300 5.409 1.00 0.00 C ATOM 666 O TRP A 44 3.626 3.477 5.428 1.00 0.00 O ATOM 667 CB TRP A 44 4.551 0.488 4.289 1.00 0.00 C ATOM 668 CG TRP A 44 5.699 -0.474 4.316 1.00 0.00 C ATOM 669 CD1 TRP A 44 6.715 -0.522 5.226 1.00 0.00 C ATOM 670 CD2 TRP A 44 5.945 -1.525 3.379 1.00 0.00 C ATOM 671 NE1 TRP A 44 7.581 -1.543 4.910 1.00 0.00 N ATOM 672 CE2 TRP A 44 7.128 -2.174 3.780 1.00 0.00 C ATOM 673 CE3 TRP A 44 5.278 -1.983 2.239 1.00 0.00 C ATOM 674 CZ2 TRP A 44 7.657 -3.255 3.078 1.00 0.00 C ATOM 675 CZ3 TRP A 44 5.803 -3.054 1.545 1.00 0.00 C ATOM 676 CH2 TRP A 44 6.982 -3.681 1.966 1.00 0.00 C ATOM 0 H TRP A 44 3.622 -0.721 6.239 1.00 0.00 H new ATOM 0 HA TRP A 44 5.209 1.589 6.018 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.652 -0.045 3.978 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.747 1.249 3.534 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.823 0.143 6.070 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.422 -1.790 5.431 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.367 -1.507 1.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.567 -3.739 3.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.296 -3.415 0.662 1.00 0.00 H new ATOM 0 HH2 TRP A 44 7.367 -4.518 1.402 1.00 0.00 H new ATOM 687 N MET A 45 2.022 1.919 5.183 1.00 0.00 N ATOM 688 CA MET A 45 0.956 2.881 4.941 1.00 0.00 C ATOM 689 C MET A 45 0.783 3.834 6.114 1.00 0.00 C ATOM 690 O MET A 45 0.610 5.036 5.922 1.00 0.00 O ATOM 691 CB MET A 45 -0.358 2.148 4.657 1.00 0.00 C ATOM 692 CG MET A 45 -1.548 3.075 4.466 1.00 0.00 C ATOM 693 SD MET A 45 -3.123 2.198 4.483 1.00 0.00 S ATOM 694 CE MET A 45 -2.735 0.779 3.462 1.00 0.00 C ATOM 0 H MET A 45 1.720 0.945 5.163 1.00 0.00 H new ATOM 0 HA MET A 45 1.234 3.475 4.070 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.237 1.538 3.762 1.00 0.00 H new ATOM 0 HB3 MET A 45 -0.569 1.466 5.481 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.547 3.828 5.255 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.442 3.605 3.519 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.659 0.297 3.143 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.174 1.104 2.586 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.135 0.072 4.035 1.00 0.00 H new ATOM 704 N ASN A 46 0.823 3.300 7.326 1.00 0.00 N ATOM 705 CA ASN A 46 0.666 4.128 8.515 1.00 0.00 C ATOM 706 C ASN A 46 1.848 5.075 8.670 1.00 0.00 C ATOM 707 O ASN A 46 1.680 6.241 9.022 1.00 0.00 O ATOM 708 CB ASN A 46 0.521 3.254 9.762 1.00 0.00 C ATOM 709 CG ASN A 46 -0.907 2.794 9.986 1.00 0.00 C ATOM 710 OD1 ASN A 46 -1.562 3.206 10.943 1.00 0.00 O ATOM 711 ND2 ASN A 46 -1.397 1.933 9.100 1.00 0.00 N ATOM 0 H ASN A 46 0.961 2.307 7.513 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.240 4.722 8.399 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.169 2.383 9.669 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.861 3.812 10.634 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.352 1.588 9.199 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.818 1.618 8.321 1.00 0.00 H new ATOM 718 N PHE A 47 3.044 4.571 8.396 1.00 0.00 N ATOM 719 CA PHE A 47 4.245 5.385 8.495 1.00 0.00 C ATOM 720 C PHE A 47 4.219 6.472 7.427 1.00 0.00 C ATOM 721 O PHE A 47 4.508 7.641 7.696 1.00 0.00 O ATOM 722 CB PHE A 47 5.492 4.509 8.337 1.00 0.00 C ATOM 723 CG PHE A 47 6.774 5.288 8.241 1.00 0.00 C ATOM 724 CD1 PHE A 47 7.135 5.909 7.057 1.00 0.00 C ATOM 725 CD2 PHE A 47 7.618 5.396 9.335 1.00 0.00 C ATOM 726 CE1 PHE A 47 8.312 6.624 6.964 1.00 0.00 C ATOM 727 CE2 PHE A 47 8.798 6.110 9.248 1.00 0.00 C ATOM 728 CZ PHE A 47 9.145 6.725 8.060 1.00 0.00 C ATOM 0 H PHE A 47 3.207 3.607 8.105 1.00 0.00 H new ATOM 0 HA PHE A 47 4.278 5.856 9.477 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.555 3.827 9.185 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.383 3.896 7.442 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.488 5.833 6.196 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.351 4.917 10.265 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.581 7.104 6.035 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.448 6.187 10.107 1.00 0.00 H new ATOM 0 HZ PHE A 47 10.067 7.284 7.989 1.00 0.00 H new ATOM 738 N TYR A 48 3.855 6.075 6.215 1.00 0.00 N ATOM 739 CA TYR A 48 3.778 7.003 5.100 1.00 0.00 C ATOM 740 C TYR A 48 2.702 8.054 5.352 1.00 0.00 C ATOM 741 O TYR A 48 2.946 9.250 5.200 1.00 0.00 O ATOM 742 CB TYR A 48 3.498 6.247 3.799 1.00 0.00 C ATOM 743 CG TYR A 48 4.738 6.017 2.962 1.00 0.00 C ATOM 744 CD1 TYR A 48 5.374 7.078 2.331 1.00 0.00 C ATOM 745 CD2 TYR A 48 5.276 4.741 2.806 1.00 0.00 C ATOM 746 CE1 TYR A 48 6.509 6.878 1.568 1.00 0.00 C ATOM 747 CE2 TYR A 48 6.411 4.533 2.043 1.00 0.00 C ATOM 748 CZ TYR A 48 7.023 5.605 1.428 1.00 0.00 C ATOM 749 OH TYR A 48 8.153 5.403 0.669 1.00 0.00 O ATOM 0 H TYR A 48 3.608 5.113 5.981 1.00 0.00 H new ATOM 0 HA TYR A 48 4.737 7.512 5.005 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.045 5.285 4.036 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.770 6.806 3.211 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.975 8.076 2.438 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.799 3.901 3.289 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.991 7.714 1.084 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.815 3.538 1.930 1.00 0.00 H new ATOM 0 HH TYR A 48 8.384 4.451 0.673 1.00 0.00 H new ATOM 759 N ILE A 49 1.510 7.604 5.736 1.00 0.00 N ATOM 760 CA ILE A 49 0.410 8.518 6.006 1.00 0.00 C ATOM 761 C ILE A 49 0.769 9.475 7.138 1.00 0.00 C ATOM 762 O ILE A 49 0.507 10.675 7.060 1.00 0.00 O ATOM 763 CB ILE A 49 -0.893 7.750 6.343 1.00 0.00 C ATOM 764 CG1 ILE A 49 -2.109 8.504 5.800 1.00 0.00 C ATOM 765 CG2 ILE A 49 -1.038 7.512 7.842 1.00 0.00 C ATOM 766 CD1 ILE A 49 -2.443 8.158 4.365 1.00 0.00 C ATOM 0 H ILE A 49 1.285 6.618 5.866 1.00 0.00 H new ATOM 0 HA ILE A 49 0.234 9.098 5.100 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.836 6.774 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.972 8.285 6.428 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.924 9.576 5.873 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.964 6.971 8.037 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.192 6.925 8.201 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.061 8.470 8.362 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.315 8.729 4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.595 8.403 3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.660 7.092 4.289 1.00 0.00 H new ATOM 778 N ASN A 50 1.372 8.932 8.190 1.00 0.00 N ATOM 779 CA ASN A 50 1.771 9.731 9.343 1.00 0.00 C ATOM 780 C ASN A 50 2.874 10.721 8.973 1.00 0.00 C ATOM 781 O ASN A 50 3.017 11.766 9.608 1.00 0.00 O ATOM 782 CB ASN A 50 2.244 8.823 10.480 1.00 0.00 C ATOM 783 CG ASN A 50 1.091 8.282 11.303 1.00 0.00 C ATOM 784 OD1 ASN A 50 0.711 9.014 12.343 1.00 0.00 O flip ATOM 785 ND2 ASN A 50 0.547 7.217 11.007 1.00 0.00 N flip ATOM 0 H ASN A 50 1.596 7.940 8.268 1.00 0.00 H new ATOM 0 HA ASN A 50 0.901 10.297 9.676 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.813 7.991 10.065 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.921 9.379 11.129 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.871 6.686 10.199 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.228 6.866 11.570 1.00 0.00 H new ATOM 792 N TYR A 51 3.656 10.389 7.950 1.00 0.00 N ATOM 793 CA TYR A 51 4.743 11.260 7.512 1.00 0.00 C ATOM 794 C TYR A 51 4.225 12.408 6.650 1.00 0.00 C ATOM 795 O TYR A 51 4.698 13.539 6.757 1.00 0.00 O ATOM 796 CB TYR A 51 5.787 10.465 6.726 1.00 0.00 C ATOM 797 CG TYR A 51 6.967 11.299 6.271 1.00 0.00 C ATOM 798 CD1 TYR A 51 6.835 12.249 5.261 1.00 0.00 C ATOM 799 CD2 TYR A 51 8.216 11.135 6.857 1.00 0.00 C ATOM 800 CE1 TYR A 51 7.916 13.009 4.852 1.00 0.00 C ATOM 801 CE2 TYR A 51 9.299 11.892 6.453 1.00 0.00 C ATOM 802 CZ TYR A 51 9.145 12.826 5.451 1.00 0.00 C ATOM 803 OH TYR A 51 10.223 13.581 5.047 1.00 0.00 O ATOM 0 H TYR A 51 3.559 9.528 7.411 1.00 0.00 H new ATOM 0 HA TYR A 51 5.204 11.678 8.407 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.150 9.645 7.346 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.310 10.018 5.853 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.874 12.394 4.790 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.343 10.404 7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.798 13.742 4.068 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.263 11.752 6.921 1.00 0.00 H new ATOM 0 HH TYR A 51 11.013 13.329 5.570 1.00 0.00 H new ATOM 813 N TYR A 52 3.269 12.107 5.779 1.00 0.00 N ATOM 814 CA TYR A 52 2.713 13.112 4.881 1.00 0.00 C ATOM 815 C TYR A 52 1.664 13.981 5.571 1.00 0.00 C ATOM 816 O TYR A 52 1.498 15.150 5.225 1.00 0.00 O ATOM 817 CB TYR A 52 2.117 12.441 3.644 1.00 0.00 C ATOM 818 CG TYR A 52 3.158 12.060 2.616 1.00 0.00 C ATOM 819 CD1 TYR A 52 4.130 12.969 2.217 1.00 0.00 C ATOM 820 CD2 TYR A 52 3.176 10.790 2.053 1.00 0.00 C ATOM 821 CE1 TYR A 52 5.090 12.624 1.285 1.00 0.00 C ATOM 822 CE2 TYR A 52 4.132 10.439 1.119 1.00 0.00 C ATOM 823 CZ TYR A 52 5.086 11.358 0.739 1.00 0.00 C ATOM 824 OH TYR A 52 6.042 11.011 -0.188 1.00 0.00 O ATOM 0 H TYR A 52 2.863 11.177 5.676 1.00 0.00 H new ATOM 0 HA TYR A 52 3.529 13.768 4.578 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.573 11.547 3.950 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.393 13.115 3.186 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.135 13.962 2.642 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.432 10.066 2.350 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.839 13.342 0.986 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.132 9.448 0.689 1.00 0.00 H new ATOM 0 HH TYR A 52 6.563 10.252 0.148 1.00 0.00 H new ATOM 834 N ARG A 53 0.963 13.418 6.550 1.00 0.00 N ATOM 835 CA ARG A 53 -0.056 14.173 7.274 1.00 0.00 C ATOM 836 C ARG A 53 0.572 15.387 7.953 1.00 0.00 C ATOM 837 O ARG A 53 -0.034 16.456 8.024 1.00 0.00 O ATOM 838 CB ARG A 53 -0.750 13.288 8.312 1.00 0.00 C ATOM 839 CG ARG A 53 0.161 12.845 9.446 1.00 0.00 C ATOM 840 CD ARG A 53 -0.616 12.120 10.534 1.00 0.00 C ATOM 841 NE ARG A 53 -1.493 13.024 11.278 1.00 0.00 N ATOM 842 CZ ARG A 53 -2.750 13.296 10.932 1.00 0.00 C ATOM 843 NH1 ARG A 53 -3.286 12.747 9.849 1.00 0.00 N ATOM 844 NH2 ARG A 53 -3.475 14.123 11.672 1.00 0.00 N ATOM 0 H ARG A 53 1.079 12.453 6.858 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.804 14.515 6.559 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.598 13.831 8.730 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.151 12.405 7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.939 12.189 9.054 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.662 13.714 9.873 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.212 11.325 10.085 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.083 11.645 11.223 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.119 13.474 12.113 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.734 12.111 9.274 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.250 12.961 9.592 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.070 14.550 12.505 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.438 14.332 11.408 1.00 0.00 H new ATOM 858 N GLN A 54 1.793 15.209 8.450 1.00 0.00 N ATOM 859 CA GLN A 54 2.517 16.283 9.124 1.00 0.00 C ATOM 860 C GLN A 54 3.139 17.259 8.123 1.00 0.00 C ATOM 861 O GLN A 54 3.785 18.232 8.516 1.00 0.00 O ATOM 862 CB GLN A 54 3.606 15.693 10.022 1.00 0.00 C ATOM 863 CG GLN A 54 3.085 15.194 11.360 1.00 0.00 C ATOM 864 CD GLN A 54 4.126 14.411 12.135 1.00 0.00 C ATOM 865 OE1 GLN A 54 5.187 14.933 12.474 1.00 0.00 O ATOM 866 NE2 GLN A 54 3.828 13.147 12.416 1.00 0.00 N ATOM 0 H GLN A 54 2.304 14.327 8.398 1.00 0.00 H new ATOM 0 HA GLN A 54 1.802 16.838 9.731 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.089 14.868 9.499 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.370 16.450 10.198 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.756 16.044 11.958 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.211 14.564 11.194 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.936 12.754 12.115 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.491 12.569 12.932 1.00 0.00 H new ATOM 875 N GLN A 55 2.938 17.003 6.831 1.00 0.00 N ATOM 876 CA GLN A 55 3.474 17.869 5.785 1.00 0.00 C ATOM 877 C GLN A 55 2.337 18.579 5.053 1.00 0.00 C ATOM 878 O GLN A 55 2.446 18.904 3.871 1.00 0.00 O ATOM 879 CB GLN A 55 4.311 17.049 4.800 1.00 0.00 C ATOM 880 CG GLN A 55 5.725 17.578 4.612 1.00 0.00 C ATOM 881 CD GLN A 55 6.554 17.496 5.879 1.00 0.00 C ATOM 882 OE1 GLN A 55 6.861 18.515 6.500 1.00 0.00 O ATOM 883 NE2 GLN A 55 6.923 16.282 6.268 1.00 0.00 N ATOM 0 H GLN A 55 2.408 16.203 6.485 1.00 0.00 H new ATOM 0 HA GLN A 55 4.114 18.622 6.245 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.362 16.018 5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.807 17.033 3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.219 17.011 3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.679 18.615 4.279 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.646 15.466 5.723 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.484 16.165 7.112 1.00 0.00 H new ATOM 892 N VAL A 56 1.243 18.799 5.773 1.00 0.00 N ATOM 893 CA VAL A 56 0.074 19.453 5.200 1.00 0.00 C ATOM 894 C VAL A 56 0.111 20.970 5.407 1.00 0.00 C ATOM 895 O VAL A 56 0.657 21.686 4.572 1.00 0.00 O ATOM 896 CB VAL A 56 -1.238 18.866 5.756 1.00 0.00 C ATOM 897 CG1 VAL A 56 -2.423 19.396 4.967 1.00 0.00 C ATOM 898 CG2 VAL A 56 -1.204 17.345 5.710 1.00 0.00 C ATOM 0 H VAL A 56 1.142 18.534 6.753 1.00 0.00 H new ATOM 0 HA VAL A 56 0.104 19.259 4.128 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.345 19.174 6.796 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.345 18.975 5.368 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.456 20.483 5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.320 19.111 3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.139 16.948 6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.078 17.015 4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.371 16.981 6.312 1.00 0.00 H new ATOM 908 N THR A 57 -0.453 21.450 6.522 1.00 0.00 N ATOM 909 CA THR A 57 -0.469 22.886 6.838 1.00 0.00 C ATOM 910 C THR A 57 -0.748 23.743 5.600 1.00 0.00 C ATOM 911 O THR A 57 0.051 23.772 4.666 1.00 0.00 O ATOM 912 CB THR A 57 0.868 23.297 7.459 1.00 0.00 C ATOM 913 OG1 THR A 57 1.542 22.172 7.994 1.00 0.00 O ATOM 914 CG2 THR A 57 0.725 24.315 8.569 1.00 0.00 C ATOM 0 H THR A 57 -0.906 20.864 7.223 1.00 0.00 H new ATOM 0 HA THR A 57 -1.277 23.057 7.549 1.00 0.00 H new ATOM 0 HB THR A 57 1.436 23.747 6.645 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.395 22.457 8.384 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.710 24.562 8.965 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.255 25.217 8.177 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.107 23.900 9.366 1.00 0.00 H new ATOM 922 N GLY A 58 -1.869 24.461 5.595 1.00 0.00 N ATOM 923 CA GLY A 58 -2.187 25.306 4.456 1.00 0.00 C ATOM 924 C GLY A 58 -3.683 25.440 4.205 1.00 0.00 C ATOM 925 O GLY A 58 -4.100 26.265 3.393 1.00 0.00 O ATOM 0 H GLY A 58 -2.555 24.473 6.350 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.762 26.297 4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.711 24.897 3.565 1.00 0.00 H new ATOM 929 N GLU A 59 -4.485 24.649 4.929 1.00 0.00 N ATOM 930 CA GLU A 59 -5.952 24.678 4.826 1.00 0.00 C ATOM 931 C GLU A 59 -6.547 23.304 5.116 1.00 0.00 C ATOM 932 O GLU A 59 -5.976 22.280 4.739 1.00 0.00 O ATOM 933 CB GLU A 59 -6.437 25.149 3.444 1.00 0.00 C ATOM 934 CG GLU A 59 -5.729 24.496 2.267 1.00 0.00 C ATOM 935 CD GLU A 59 -5.692 25.382 1.037 1.00 0.00 C ATOM 936 OE1 GLU A 59 -6.589 26.240 0.896 1.00 0.00 O ATOM 937 OE2 GLU A 59 -4.769 25.215 0.213 1.00 0.00 O ATOM 0 H GLU A 59 -4.136 23.969 5.604 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.293 25.396 5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.506 24.952 3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.306 26.229 3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.709 24.243 2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.232 23.561 2.020 1.00 0.00 H new ATOM 944 N PRO A 60 -7.721 23.257 5.772 1.00 0.00 N ATOM 945 CA PRO A 60 -8.396 21.996 6.079 1.00 0.00 C ATOM 946 C PRO A 60 -8.665 21.213 4.812 1.00 0.00 C ATOM 947 O PRO A 60 -8.545 19.991 4.789 1.00 0.00 O ATOM 948 CB PRO A 60 -9.709 22.426 6.748 1.00 0.00 C ATOM 949 CG PRO A 60 -9.880 23.864 6.383 1.00 0.00 C ATOM 950 CD PRO A 60 -8.492 24.420 6.239 1.00 0.00 C ATOM 0 HA PRO A 60 -7.799 21.344 6.717 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.547 21.827 6.392 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.661 22.297 7.829 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.440 23.967 5.454 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.437 24.399 7.152 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.458 25.242 5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.110 24.805 7.185 1.00 0.00 H new ATOM 958 N GLN A 61 -9.000 21.926 3.744 1.00 0.00 N ATOM 959 CA GLN A 61 -9.247 21.284 2.467 1.00 0.00 C ATOM 960 C GLN A 61 -7.964 20.624 1.981 1.00 0.00 C ATOM 961 O GLN A 61 -8.004 19.606 1.298 1.00 0.00 O ATOM 962 CB GLN A 61 -9.755 22.291 1.429 1.00 0.00 C ATOM 963 CG GLN A 61 -9.094 23.658 1.521 1.00 0.00 C ATOM 964 CD GLN A 61 -8.708 24.215 0.164 1.00 0.00 C ATOM 965 OE1 GLN A 61 -7.696 23.823 -0.417 1.00 0.00 O ATOM 966 NE2 GLN A 61 -9.517 25.136 -0.347 1.00 0.00 N ATOM 0 H GLN A 61 -9.105 22.941 3.740 1.00 0.00 H new ATOM 0 HA GLN A 61 -10.021 20.528 2.599 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.589 21.884 0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.832 22.410 1.550 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.774 24.353 2.014 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.204 23.585 2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.345 25.431 0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.310 25.548 -1.257 1.00 0.00 H new ATOM 975 N GLU A 62 -6.825 21.205 2.364 1.00 0.00 N ATOM 976 CA GLU A 62 -5.525 20.662 1.987 1.00 0.00 C ATOM 977 C GLU A 62 -5.255 19.379 2.754 1.00 0.00 C ATOM 978 O GLU A 62 -4.820 18.380 2.186 1.00 0.00 O ATOM 979 CB GLU A 62 -4.409 21.673 2.261 1.00 0.00 C ATOM 980 CG GLU A 62 -3.878 22.343 1.002 1.00 0.00 C ATOM 981 CD GLU A 62 -2.497 21.849 0.618 1.00 0.00 C ATOM 982 OE1 GLU A 62 -1.517 22.259 1.275 1.00 0.00 O ATOM 983 OE2 GLU A 62 -2.395 21.055 -0.340 1.00 0.00 O ATOM 0 H GLU A 62 -6.780 22.050 2.934 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.543 20.449 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.782 22.439 2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.588 21.168 2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.568 22.159 0.178 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.845 23.422 1.155 1.00 0.00 H new ATOM 990 N ARG A 63 -5.530 19.415 4.050 1.00 0.00 N ATOM 991 CA ARG A 63 -5.329 18.250 4.899 1.00 0.00 C ATOM 992 C ARG A 63 -6.290 17.139 4.499 1.00 0.00 C ATOM 993 O ARG A 63 -5.877 16.014 4.223 1.00 0.00 O ATOM 994 CB ARG A 63 -5.532 18.624 6.369 1.00 0.00 C ATOM 995 CG ARG A 63 -4.464 18.061 7.295 1.00 0.00 C ATOM 996 CD ARG A 63 -3.802 19.154 8.119 1.00 0.00 C ATOM 997 NE ARG A 63 -4.625 19.562 9.256 1.00 0.00 N ATOM 998 CZ ARG A 63 -4.633 18.935 10.431 1.00 0.00 C ATOM 999 NH1 ARG A 63 -3.880 17.859 10.624 1.00 0.00 N ATOM 1000 NH2 ARG A 63 -5.400 19.384 11.416 1.00 0.00 N ATOM 0 H ARG A 63 -5.892 20.236 4.535 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.307 17.893 4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.544 19.710 6.460 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.509 18.266 6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.912 17.324 7.961 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.709 17.541 6.706 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.836 18.800 8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.608 20.018 7.484 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.229 20.376 9.143 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.290 17.507 9.870 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.891 17.384 11.527 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.983 20.209 11.273 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.407 18.904 12.316 1.00 0.00 H new ATOM 1014 N ASP A 64 -7.575 17.464 4.487 1.00 0.00 N ATOM 1015 CA ASP A 64 -8.606 16.491 4.141 1.00 0.00 C ATOM 1016 C ASP A 64 -8.383 15.890 2.752 1.00 0.00 C ATOM 1017 O ASP A 64 -8.550 14.686 2.559 1.00 0.00 O ATOM 1018 CB ASP A 64 -9.986 17.142 4.205 1.00 0.00 C ATOM 1019 CG ASP A 64 -10.643 16.968 5.560 1.00 0.00 C ATOM 1020 OD1 ASP A 64 -10.162 17.581 6.536 1.00 0.00 O ATOM 1021 OD2 ASP A 64 -11.636 16.215 5.645 1.00 0.00 O ATOM 0 H ASP A 64 -7.930 18.393 4.713 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.547 15.681 4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.894 18.205 3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.625 16.709 3.436 1.00 0.00 H new ATOM 1026 N LYS A 65 -8.014 16.723 1.787 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.786 16.245 0.422 1.00 0.00 C ATOM 1028 C LYS A 65 -6.444 15.535 0.291 1.00 0.00 C ATOM 1029 O LYS A 65 -6.347 14.493 -0.353 1.00 0.00 O ATOM 1030 CB LYS A 65 -7.863 17.395 -0.582 1.00 0.00 C ATOM 1031 CG LYS A 65 -9.267 17.649 -1.105 1.00 0.00 C ATOM 1032 CD LYS A 65 -9.423 17.170 -2.540 1.00 0.00 C ATOM 1033 CE LYS A 65 -8.942 18.216 -3.532 1.00 0.00 C ATOM 1034 NZ LYS A 65 -7.470 18.146 -3.744 1.00 0.00 N ATOM 0 H LYS A 65 -7.866 17.724 1.918 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.576 15.527 0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.489 18.304 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.204 17.178 -1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.991 17.139 -0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.490 18.715 -1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.859 16.248 -2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.470 16.936 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.453 18.075 -4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.210 19.209 -3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.249 18.393 -4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.995 18.815 -3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.136 17.181 -3.546 1.00 0.00 H new ATOM 1048 N ALA A 66 -5.412 16.106 0.893 1.00 0.00 N ATOM 1049 CA ALA A 66 -4.075 15.524 0.830 1.00 0.00 C ATOM 1050 C ALA A 66 -4.027 14.174 1.535 1.00 0.00 C ATOM 1051 O ALA A 66 -3.429 13.219 1.035 1.00 0.00 O ATOM 1052 CB ALA A 66 -3.054 16.473 1.438 1.00 0.00 C ATOM 0 H ALA A 66 -5.472 16.971 1.431 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.828 15.365 -0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.062 16.024 1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.058 17.413 0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.309 16.663 2.481 1.00 0.00 H new ATOM 1058 N LEU A 67 -4.665 14.101 2.694 1.00 0.00 N ATOM 1059 CA LEU A 67 -4.697 12.867 3.468 1.00 0.00 C ATOM 1060 C LEU A 67 -5.680 11.870 2.863 1.00 0.00 C ATOM 1061 O LEU A 67 -5.437 10.664 2.874 1.00 0.00 O ATOM 1062 CB LEU A 67 -5.058 13.155 4.926 1.00 0.00 C ATOM 1063 CG LEU A 67 -3.877 13.562 5.812 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.931 12.387 6.013 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -3.139 14.745 5.204 1.00 0.00 C ATOM 0 H LEU A 67 -5.167 14.880 3.119 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.701 12.424 3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.803 13.950 4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.525 12.267 5.352 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.263 13.862 6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.098 12.695 6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.466 11.567 6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.551 12.057 5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.303 15.021 5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.764 14.472 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.821 15.591 5.112 1.00 0.00 H new ATOM 1077 N GLN A 68 -6.783 12.378 2.321 1.00 0.00 N ATOM 1078 CA GLN A 68 -7.784 11.519 1.701 1.00 0.00 C ATOM 1079 C GLN A 68 -7.253 10.960 0.388 1.00 0.00 C ATOM 1080 O GLN A 68 -7.433 9.779 0.084 1.00 0.00 O ATOM 1081 CB GLN A 68 -9.084 12.291 1.460 1.00 0.00 C ATOM 1082 CG GLN A 68 -10.165 11.474 0.771 1.00 0.00 C ATOM 1083 CD GLN A 68 -11.043 10.723 1.752 1.00 0.00 C ATOM 1084 OE1 GLN A 68 -11.017 9.493 1.810 1.00 0.00 O ATOM 1085 NE2 GLN A 68 -11.827 11.460 2.530 1.00 0.00 N ATOM 0 H GLN A 68 -7.005 13.373 2.299 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.996 10.692 2.378 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.466 12.648 2.416 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.866 13.171 0.855 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.786 12.136 0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.699 10.763 0.089 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.816 12.477 2.448 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.440 11.009 3.210 1.00 0.00 H new ATOM 1094 N GLU A 69 -6.586 11.811 -0.381 1.00 0.00 N ATOM 1095 CA GLU A 69 -6.012 11.397 -1.652 1.00 0.00 C ATOM 1096 C GLU A 69 -4.900 10.391 -1.408 1.00 0.00 C ATOM 1097 O GLU A 69 -4.776 9.396 -2.123 1.00 0.00 O ATOM 1098 CB GLU A 69 -5.470 12.603 -2.421 1.00 0.00 C ATOM 1099 CG GLU A 69 -5.378 12.377 -3.921 1.00 0.00 C ATOM 1100 CD GLU A 69 -6.625 12.826 -4.655 1.00 0.00 C ATOM 1101 OE1 GLU A 69 -6.964 14.026 -4.570 1.00 0.00 O ATOM 1102 OE2 GLU A 69 -7.265 11.980 -5.314 1.00 0.00 O ATOM 0 H GLU A 69 -6.430 12.791 -0.146 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.794 10.933 -2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.112 13.463 -2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.480 12.853 -2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.516 12.916 -4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.208 11.318 -4.115 1.00 0.00 H new ATOM 1109 N LEU A 70 -4.104 10.650 -0.376 1.00 0.00 N ATOM 1110 CA LEU A 70 -3.011 9.760 -0.017 1.00 0.00 C ATOM 1111 C LEU A 70 -3.556 8.391 0.368 1.00 0.00 C ATOM 1112 O LEU A 70 -3.115 7.367 -0.154 1.00 0.00 O ATOM 1113 CB LEU A 70 -2.200 10.350 1.138 1.00 0.00 C ATOM 1114 CG LEU A 70 -0.743 9.885 1.214 1.00 0.00 C ATOM 1115 CD1 LEU A 70 0.174 10.897 0.543 1.00 0.00 C ATOM 1116 CD2 LEU A 70 -0.328 9.664 2.663 1.00 0.00 C ATOM 0 H LEU A 70 -4.197 11.469 0.225 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.354 9.648 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.214 11.437 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.695 10.097 2.075 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.655 8.937 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.206 10.551 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.109 11.006 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.083 11.860 1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.710 9.334 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.431 10.597 3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.966 8.903 3.112 1.00 0.00 H new ATOM 1128 N ARG A 71 -4.526 8.377 1.282 1.00 0.00 N ATOM 1129 CA ARG A 71 -5.133 7.129 1.725 1.00 0.00 C ATOM 1130 C ARG A 71 -5.789 6.409 0.554 1.00 0.00 C ATOM 1131 O ARG A 71 -5.816 5.180 0.503 1.00 0.00 O ATOM 1132 CB ARG A 71 -6.168 7.397 2.819 1.00 0.00 C ATOM 1133 CG ARG A 71 -6.321 6.250 3.807 1.00 0.00 C ATOM 1134 CD ARG A 71 -6.015 6.691 5.229 1.00 0.00 C ATOM 1135 NE ARG A 71 -6.875 7.792 5.657 1.00 0.00 N ATOM 1136 CZ ARG A 71 -6.606 8.586 6.691 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -5.504 8.402 7.408 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -7.441 9.564 7.011 1.00 0.00 N ATOM 0 H ARG A 71 -4.905 9.213 1.726 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.347 6.493 2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.885 8.298 3.363 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.133 7.596 2.353 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.337 5.860 3.757 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.653 5.436 3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.143 5.846 5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.971 6.998 5.297 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.733 7.962 5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.859 7.649 7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.302 9.013 8.199 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.290 9.709 6.465 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.234 10.172 7.803 1.00 0.00 H new ATOM 1152 N GLN A 72 -6.310 7.185 -0.393 1.00 0.00 N ATOM 1153 CA GLN A 72 -6.957 6.624 -1.570 1.00 0.00 C ATOM 1154 C GLN A 72 -5.925 5.957 -2.472 1.00 0.00 C ATOM 1155 O GLN A 72 -6.121 4.832 -2.932 1.00 0.00 O ATOM 1156 CB GLN A 72 -7.701 7.716 -2.342 1.00 0.00 C ATOM 1157 CG GLN A 72 -8.408 7.207 -3.588 1.00 0.00 C ATOM 1158 CD GLN A 72 -9.760 6.595 -3.282 1.00 0.00 C ATOM 1159 OE1 GLN A 72 -9.921 5.375 -3.295 1.00 0.00 O ATOM 1160 NE2 GLN A 72 -10.744 7.443 -3.002 1.00 0.00 N ATOM 0 H GLN A 72 -6.295 8.205 -0.366 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.678 5.874 -1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.434 8.180 -1.682 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.993 8.493 -2.628 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.537 8.031 -4.290 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.780 6.464 -4.080 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.567 8.448 -3.002 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.676 7.089 -2.787 1.00 0.00 H new ATOM 1169 N GLU A 73 -4.822 6.657 -2.712 1.00 0.00 N ATOM 1170 CA GLU A 73 -3.754 6.132 -3.549 1.00 0.00 C ATOM 1171 C GLU A 73 -3.186 4.856 -2.940 1.00 0.00 C ATOM 1172 O GLU A 73 -2.965 3.864 -3.636 1.00 0.00 O ATOM 1173 CB GLU A 73 -2.648 7.175 -3.716 1.00 0.00 C ATOM 1174 CG GLU A 73 -3.035 8.326 -4.632 1.00 0.00 C ATOM 1175 CD GLU A 73 -3.069 7.925 -6.095 1.00 0.00 C ATOM 1176 OE1 GLU A 73 -3.768 6.945 -6.427 1.00 0.00 O ATOM 1177 OE2 GLU A 73 -2.399 8.594 -6.909 1.00 0.00 O ATOM 0 H GLU A 73 -4.646 7.589 -2.338 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.165 5.899 -4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.384 7.573 -2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.757 6.688 -4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.015 8.703 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.326 9.144 -4.500 1.00 0.00 H new ATOM 1184 N LEU A 74 -2.960 4.885 -1.633 1.00 0.00 N ATOM 1185 CA LEU A 74 -2.431 3.727 -0.927 1.00 0.00 C ATOM 1186 C LEU A 74 -3.417 2.576 -0.994 1.00 0.00 C ATOM 1187 O LEU A 74 -3.030 1.450 -1.261 1.00 0.00 O ATOM 1188 CB LEU A 74 -2.109 4.082 0.524 1.00 0.00 C ATOM 1189 CG LEU A 74 -0.972 5.091 0.700 1.00 0.00 C ATOM 1190 CD1 LEU A 74 -1.154 5.887 1.982 1.00 0.00 C ATOM 1191 CD2 LEU A 74 0.373 4.382 0.695 1.00 0.00 C ATOM 0 H LEU A 74 -3.135 5.697 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.505 3.417 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.007 4.483 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.851 3.168 1.058 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.997 5.787 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.335 6.598 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.101 6.426 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.157 5.208 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.171 5.114 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.408 3.663 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.506 3.860 -0.253 1.00 0.00 H new ATOM 1203 N ASN A 75 -4.690 2.855 -0.755 1.00 0.00 N ATOM 1204 CA ASN A 75 -5.704 1.812 -0.813 1.00 0.00 C ATOM 1205 C ASN A 75 -5.782 1.237 -2.225 1.00 0.00 C ATOM 1206 O ASN A 75 -6.000 0.041 -2.410 1.00 0.00 O ATOM 1207 CB ASN A 75 -7.069 2.362 -0.396 1.00 0.00 C ATOM 1208 CG ASN A 75 -7.289 2.289 1.102 1.00 0.00 C ATOM 1209 OD1 ASN A 75 -8.115 1.513 1.582 1.00 0.00 O ATOM 1210 ND2 ASN A 75 -6.550 3.100 1.849 1.00 0.00 N ATOM 0 H ASN A 75 -5.043 3.783 -0.522 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.424 1.019 -0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.155 3.398 -0.723 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.854 1.801 -0.903 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.655 3.096 2.864 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.877 3.727 1.408 1.00 0.00 H new ATOM 1217 N THR A 76 -5.599 2.108 -3.213 1.00 0.00 N ATOM 1218 CA THR A 76 -5.644 1.701 -4.614 1.00 0.00 C ATOM 1219 C THR A 76 -4.405 0.889 -4.992 1.00 0.00 C ATOM 1220 O THR A 76 -4.483 -0.032 -5.804 1.00 0.00 O ATOM 1221 CB THR A 76 -5.776 2.920 -5.529 1.00 0.00 C ATOM 1222 OG1 THR A 76 -4.818 3.907 -5.196 1.00 0.00 O ATOM 1223 CG2 THR A 76 -7.143 3.568 -5.464 1.00 0.00 C ATOM 0 H THR A 76 -5.418 3.101 -3.069 1.00 0.00 H new ATOM 0 HA THR A 76 -6.521 1.068 -4.747 1.00 0.00 H new ATOM 0 HB THR A 76 -5.615 2.541 -6.538 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.098 3.500 -4.671 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.171 4.426 -6.136 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.902 2.846 -5.765 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.341 3.899 -4.444 1.00 0.00 H new ATOM 1231 N LEU A 77 -3.265 1.227 -4.391 1.00 0.00 N ATOM 1232 CA LEU A 77 -2.018 0.514 -4.660 1.00 0.00 C ATOM 1233 C LEU A 77 -1.980 -0.796 -3.878 1.00 0.00 C ATOM 1234 O LEU A 77 -1.549 -1.830 -4.389 1.00 0.00 O ATOM 1235 CB LEU A 77 -0.807 1.377 -4.273 1.00 0.00 C ATOM 1236 CG LEU A 77 -0.523 2.582 -5.179 1.00 0.00 C ATOM 1237 CD1 LEU A 77 0.892 3.091 -4.950 1.00 0.00 C ATOM 1238 CD2 LEU A 77 -0.724 2.219 -6.644 1.00 0.00 C ATOM 0 H LEU A 77 -3.179 1.988 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.973 0.299 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.954 1.739 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.078 0.741 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.228 3.374 -4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.081 3.946 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.006 3.394 -3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.605 2.299 -5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.517 3.090 -7.266 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.046 1.410 -6.915 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.754 1.898 -6.801 1.00 0.00 H new ATOM 1250 N ALA A 78 -2.441 -0.732 -2.634 1.00 0.00 N ATOM 1251 CA ALA A 78 -2.478 -1.899 -1.756 1.00 0.00 C ATOM 1252 C ALA A 78 -3.704 -2.772 -2.033 1.00 0.00 C ATOM 1253 O ALA A 78 -3.779 -3.914 -1.579 1.00 0.00 O ATOM 1254 CB ALA A 78 -2.461 -1.461 -0.300 1.00 0.00 C ATOM 0 H ALA A 78 -2.797 0.123 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.591 -2.498 -1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.489 -2.340 0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.552 -0.894 -0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.330 -0.835 -0.098 1.00 0.00 H new ATOM 1260 N ASN A 79 -4.671 -2.218 -2.757 1.00 0.00 N ATOM 1261 CA ASN A 79 -5.901 -2.945 -3.063 1.00 0.00 C ATOM 1262 C ASN A 79 -5.590 -4.233 -3.822 1.00 0.00 C ATOM 1263 O ASN A 79 -5.828 -5.329 -3.313 1.00 0.00 O ATOM 1264 CB ASN A 79 -6.853 -2.071 -3.883 1.00 0.00 C ATOM 1265 CG ASN A 79 -8.075 -1.646 -3.095 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -7.994 -1.385 -1.895 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -9.217 -1.574 -3.769 1.00 0.00 N ATOM 0 H ASN A 79 -4.629 -1.274 -3.141 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.385 -3.202 -2.121 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.321 -1.184 -4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.170 -2.618 -4.771 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -10.074 -1.293 -3.292 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.237 -1.800 -4.764 1.00 0.00 H new ATOM 1274 N PRO A 80 -5.039 -4.129 -5.041 1.00 0.00 N ATOM 1275 CA PRO A 80 -4.687 -5.304 -5.842 1.00 0.00 C ATOM 1276 C PRO A 80 -3.520 -6.082 -5.239 1.00 0.00 C ATOM 1277 O PRO A 80 -3.321 -7.262 -5.541 1.00 0.00 O ATOM 1278 CB PRO A 80 -4.291 -4.708 -7.195 1.00 0.00 C ATOM 1279 CG PRO A 80 -3.849 -3.321 -6.882 1.00 0.00 C ATOM 1280 CD PRO A 80 -4.698 -2.868 -5.727 1.00 0.00 C ATOM 0 HA PRO A 80 -5.508 -6.019 -5.903 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.491 -5.283 -7.662 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.131 -4.709 -7.889 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.791 -3.298 -6.621 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.980 -2.666 -7.743 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.155 -2.187 -5.071 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.590 -2.341 -6.066 1.00 0.00 H new ATOM 1288 N PHE A 81 -2.754 -5.415 -4.378 1.00 0.00 N ATOM 1289 CA PHE A 81 -1.605 -6.027 -3.728 1.00 0.00 C ATOM 1290 C PHE A 81 -2.041 -7.003 -2.643 1.00 0.00 C ATOM 1291 O PHE A 81 -1.590 -8.148 -2.603 1.00 0.00 O ATOM 1292 CB PHE A 81 -0.726 -4.936 -3.118 1.00 0.00 C ATOM 1293 CG PHE A 81 0.697 -5.352 -2.899 1.00 0.00 C ATOM 1294 CD1 PHE A 81 1.462 -5.831 -3.949 1.00 0.00 C ATOM 1295 CD2 PHE A 81 1.271 -5.257 -1.641 1.00 0.00 C ATOM 1296 CE1 PHE A 81 2.775 -6.209 -3.747 1.00 0.00 C ATOM 1297 CE2 PHE A 81 2.583 -5.632 -1.434 1.00 0.00 C ATOM 1298 CZ PHE A 81 3.336 -6.108 -2.488 1.00 0.00 C ATOM 0 H PHE A 81 -2.913 -4.442 -4.115 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.041 -6.583 -4.477 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.742 -4.063 -3.771 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -1.155 -4.629 -2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.028 -5.910 -4.935 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.685 -4.885 -0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.363 -6.583 -4.572 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.019 -5.553 -0.449 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.363 -6.401 -2.329 1.00 0.00 H new ATOM 1308 N LEU A 82 -2.920 -6.539 -1.763 1.00 0.00 N ATOM 1309 CA LEU A 82 -3.416 -7.366 -0.675 1.00 0.00 C ATOM 1310 C LEU A 82 -4.166 -8.576 -1.207 1.00 0.00 C ATOM 1311 O LEU A 82 -4.056 -9.673 -0.661 1.00 0.00 O ATOM 1312 CB LEU A 82 -4.314 -6.550 0.248 1.00 0.00 C ATOM 1313 CG LEU A 82 -3.840 -6.484 1.698 1.00 0.00 C ATOM 1314 CD1 LEU A 82 -3.813 -7.872 2.316 1.00 0.00 C ATOM 1315 CD2 LEU A 82 -2.466 -5.836 1.779 1.00 0.00 C ATOM 0 H LEU A 82 -3.303 -5.594 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.558 -7.722 -0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.389 -5.535 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.318 -6.975 0.226 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.544 -5.872 2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.473 -7.804 3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.815 -8.301 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.132 -8.509 1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.143 -5.797 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.753 -6.422 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.517 -4.824 1.376 1.00 0.00 H new ATOM 1327 N ALA A 83 -4.925 -8.379 -2.279 1.00 0.00 N ATOM 1328 CA ALA A 83 -5.679 -9.469 -2.875 1.00 0.00 C ATOM 1329 C ALA A 83 -4.740 -10.483 -3.506 1.00 0.00 C ATOM 1330 O ALA A 83 -4.916 -11.690 -3.346 1.00 0.00 O ATOM 1331 CB ALA A 83 -6.667 -8.935 -3.902 1.00 0.00 C ATOM 0 H ALA A 83 -5.033 -7.480 -2.749 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.243 -9.970 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.223 -9.765 -4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.361 -8.249 -3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.126 -8.408 -4.688 1.00 0.00 H new ATOM 1337 N LYS A 84 -3.735 -9.985 -4.217 1.00 0.00 N ATOM 1338 CA LYS A 84 -2.761 -10.855 -4.862 1.00 0.00 C ATOM 1339 C LYS A 84 -2.066 -11.744 -3.834 1.00 0.00 C ATOM 1340 O LYS A 84 -1.869 -12.938 -4.068 1.00 0.00 O ATOM 1341 CB LYS A 84 -1.722 -10.029 -5.625 1.00 0.00 C ATOM 1342 CG LYS A 84 -1.609 -10.405 -7.094 1.00 0.00 C ATOM 1343 CD LYS A 84 -1.838 -9.206 -8.001 1.00 0.00 C ATOM 1344 CE LYS A 84 -0.524 -8.628 -8.503 1.00 0.00 C ATOM 1345 NZ LYS A 84 0.317 -8.115 -7.388 1.00 0.00 N ATOM 0 H LYS A 84 -3.574 -8.988 -4.361 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.294 -11.490 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.980 -8.973 -5.547 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.749 -10.155 -5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.622 -10.824 -7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.337 -11.182 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.454 -9.503 -8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.391 -8.439 -7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.025 -9.395 -9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.727 -7.820 -9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.156 -7.639 -7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.233 -7.439 -6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.617 -8.908 -6.786 1.00 0.00 H new ATOM 1359 N TYR A 85 -1.695 -11.163 -2.695 1.00 0.00 N ATOM 1360 CA TYR A 85 -1.020 -11.923 -1.650 1.00 0.00 C ATOM 1361 C TYR A 85 -1.982 -12.867 -0.946 1.00 0.00 C ATOM 1362 O TYR A 85 -1.687 -14.049 -0.776 1.00 0.00 O ATOM 1363 CB TYR A 85 -0.360 -10.989 -0.632 1.00 0.00 C ATOM 1364 CG TYR A 85 1.048 -11.405 -0.266 1.00 0.00 C ATOM 1365 CD1 TYR A 85 1.285 -12.542 0.499 1.00 0.00 C ATOM 1366 CD2 TYR A 85 2.142 -10.666 -0.694 1.00 0.00 C ATOM 1367 CE1 TYR A 85 2.573 -12.928 0.823 1.00 0.00 C ATOM 1368 CE2 TYR A 85 3.432 -11.044 -0.373 1.00 0.00 C ATOM 1369 CZ TYR A 85 3.643 -12.175 0.383 1.00 0.00 C ATOM 1370 OH TYR A 85 4.927 -12.555 0.697 1.00 0.00 O ATOM 0 H TYR A 85 -1.849 -10.179 -2.475 1.00 0.00 H new ATOM 0 HA TYR A 85 -0.244 -12.519 -2.130 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.339 -9.977 -1.037 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.969 -10.958 0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.450 -13.133 0.846 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.982 -9.779 -1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.741 -13.814 1.417 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.271 -10.455 -0.714 1.00 0.00 H new ATOM 0 HH TYR A 85 5.561 -11.917 0.309 1.00 0.00 H new ATOM 1380 N ARG A 86 -3.133 -12.346 -0.538 1.00 0.00 N ATOM 1381 CA ARG A 86 -4.131 -13.158 0.149 1.00 0.00 C ATOM 1382 C ARG A 86 -4.559 -14.330 -0.720 1.00 0.00 C ATOM 1383 O ARG A 86 -4.711 -15.453 -0.239 1.00 0.00 O ATOM 1384 CB ARG A 86 -5.350 -12.310 0.527 1.00 0.00 C ATOM 1385 CG ARG A 86 -5.464 -12.033 2.017 1.00 0.00 C ATOM 1386 CD ARG A 86 -6.877 -11.623 2.401 1.00 0.00 C ATOM 1387 NE ARG A 86 -7.346 -12.328 3.591 1.00 0.00 N ATOM 1388 CZ ARG A 86 -8.628 -12.450 3.925 1.00 0.00 C ATOM 1389 NH1 ARG A 86 -9.574 -11.913 3.164 1.00 0.00 N ATOM 1390 NH2 ARG A 86 -8.966 -13.111 5.025 1.00 0.00 N ATOM 0 H ARG A 86 -3.398 -11.370 -0.670 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.680 -13.547 1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.301 -11.361 -0.007 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.254 -12.819 0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.178 -12.923 2.577 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.766 -11.243 2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.907 -10.548 2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.552 -11.826 1.570 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.649 -12.752 4.203 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.320 -11.403 2.318 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.555 -12.010 3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.243 -13.525 5.614 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.949 -13.205 5.282 1.00 0.00 H new ATOM 1404 N ASP A 87 -4.742 -14.063 -2.004 1.00 0.00 N ATOM 1405 CA ASP A 87 -5.140 -15.099 -2.941 1.00 0.00 C ATOM 1406 C ASP A 87 -3.980 -16.052 -3.194 1.00 0.00 C ATOM 1407 O ASP A 87 -4.182 -17.241 -3.415 1.00 0.00 O ATOM 1408 CB ASP A 87 -5.611 -14.481 -4.257 1.00 0.00 C ATOM 1409 CG ASP A 87 -7.067 -14.066 -4.213 1.00 0.00 C ATOM 1410 OD1 ASP A 87 -7.396 -13.132 -3.451 1.00 0.00 O ATOM 1411 OD2 ASP A 87 -7.881 -14.675 -4.940 1.00 0.00 O ATOM 0 H ASP A 87 -4.621 -13.139 -2.419 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.968 -15.659 -2.506 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.995 -13.612 -4.488 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.465 -15.198 -5.065 1.00 0.00 H new ATOM 1416 N PHE A 88 -2.763 -15.521 -3.151 1.00 0.00 N ATOM 1417 CA PHE A 88 -1.568 -16.326 -3.374 1.00 0.00 C ATOM 1418 C PHE A 88 -1.311 -17.269 -2.197 1.00 0.00 C ATOM 1419 O PHE A 88 -0.970 -18.436 -2.390 1.00 0.00 O ATOM 1420 CB PHE A 88 -0.353 -15.413 -3.603 1.00 0.00 C ATOM 1421 CG PHE A 88 0.968 -16.136 -3.662 1.00 0.00 C ATOM 1422 CD1 PHE A 88 1.031 -17.481 -4.002 1.00 0.00 C ATOM 1423 CD2 PHE A 88 2.151 -15.470 -3.371 1.00 0.00 C ATOM 1424 CE1 PHE A 88 2.241 -18.144 -4.047 1.00 0.00 C ATOM 1425 CE2 PHE A 88 3.363 -16.130 -3.418 1.00 0.00 C ATOM 1426 CZ PHE A 88 3.408 -17.468 -3.753 1.00 0.00 C ATOM 0 H PHE A 88 -2.578 -14.536 -2.964 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.728 -16.935 -4.263 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.496 -14.866 -4.535 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.313 -14.674 -2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.122 -18.015 -4.234 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.123 -14.424 -3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.275 -19.190 -4.312 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.276 -15.599 -3.193 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.355 -17.986 -3.785 1.00 0.00 H new ATOM 1436 N LEU A 89 -1.468 -16.759 -0.980 1.00 0.00 N ATOM 1437 CA LEU A 89 -1.239 -17.564 0.215 1.00 0.00 C ATOM 1438 C LEU A 89 -2.370 -18.566 0.454 1.00 0.00 C ATOM 1439 O LEU A 89 -2.134 -19.672 0.939 1.00 0.00 O ATOM 1440 CB LEU A 89 -1.069 -16.663 1.441 1.00 0.00 C ATOM 1441 CG LEU A 89 -2.192 -15.649 1.674 1.00 0.00 C ATOM 1442 CD1 LEU A 89 -3.214 -16.201 2.657 1.00 0.00 C ATOM 1443 CD2 LEU A 89 -1.622 -14.328 2.178 1.00 0.00 C ATOM 0 H LEU A 89 -1.751 -15.797 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.322 -18.131 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.984 -17.294 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.128 -16.121 1.345 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.694 -15.466 0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.005 -15.467 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.644 -17.119 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.726 -16.413 3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.434 -13.619 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.095 -14.494 3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.929 -13.925 1.439 1.00 0.00 H new ATOM 1455 N LYS A 90 -3.597 -18.171 0.127 1.00 0.00 N ATOM 1456 CA LYS A 90 -4.759 -19.036 0.328 1.00 0.00 C ATOM 1457 C LYS A 90 -5.046 -19.921 -0.890 1.00 0.00 C ATOM 1458 O LYS A 90 -5.824 -20.870 -0.799 1.00 0.00 O ATOM 1459 CB LYS A 90 -5.991 -18.186 0.652 1.00 0.00 C ATOM 1460 CG LYS A 90 -6.809 -18.714 1.820 1.00 0.00 C ATOM 1461 CD LYS A 90 -6.823 -17.734 2.984 1.00 0.00 C ATOM 1462 CE LYS A 90 -7.525 -18.321 4.198 1.00 0.00 C ATOM 1463 NZ LYS A 90 -6.806 -19.510 4.736 1.00 0.00 N ATOM 0 H LYS A 90 -3.814 -17.260 -0.277 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.530 -19.697 1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -5.671 -17.168 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.627 -18.133 -0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.831 -18.905 1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.397 -19.667 2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.800 -17.466 3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.325 -16.815 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.602 -17.561 4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.542 -18.604 3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.146 -19.716 5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.985 -20.331 4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.785 -19.315 4.764 1.00 0.00 H new ATOM 1477 N SER A 91 -4.437 -19.599 -2.028 1.00 0.00 N ATOM 1478 CA SER A 91 -4.664 -20.367 -3.253 1.00 0.00 C ATOM 1479 C SER A 91 -3.941 -21.709 -3.244 1.00 0.00 C ATOM 1480 O SER A 91 -4.465 -22.695 -3.762 1.00 0.00 O ATOM 1481 CB SER A 91 -4.224 -19.571 -4.483 1.00 0.00 C ATOM 1482 OG SER A 91 -4.081 -20.415 -5.614 1.00 0.00 O ATOM 0 H SER A 91 -3.788 -18.819 -2.130 1.00 0.00 H new ATOM 0 HA SER A 91 -5.736 -20.560 -3.298 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.956 -18.792 -4.697 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.278 -19.071 -4.277 1.00 0.00 H new ATOM 0 HG SER A 91 -3.801 -19.882 -6.387 1.00 0.00 H new