USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 501 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 51 ASN : amide:sc= -0.0103 K(o=-0.01,f=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 83:sc= 0.832 USER MOD Single : A 58 SER OG : rot 83:sc= 0.262 USER MOD Single : A 63 ASN : amide:sc= 1.49 K(o=1.5,f=-0.17) USER MOD Single : A 73 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.14) USER MOD Single : A 74 ASN : amide:sc= -0.0366 K(o=-0.037,f=-0.94) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 78 ASN : amide:sc= -0.817 X(o=-0.82,f=-0.85) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.1) USER MOD Single : A 85 ASN : amide:sc= -0.0515 K(o=-0.052,f=-5.4!) USER MOD Single : A 87 ASN :FLIP amide:sc= -0.0733 F(o=-0.59,f=-0.073) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.242 K(o=0.24,f=-2.9!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 HIS :FLIP no HD1:sc= -0.687 F(o=-1.4,f=-0.69) USER MOD Single : A 97 LYS NZ :NH3+ 155:sc= 1.53 (180deg=0.839) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -166:sc= -0.213 (180deg=-0.558) USER MOD Single : A 105 LYS NZ :NH3+ -164:sc= 1.22 (180deg=1.11) USER MOD Single : A 107 GLN : amide:sc= 0.841 K(o=0.84,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 47 -2.578 14.257 -3.327 1.00 0.00 N ATOM 2 CA GLY A 47 -1.152 13.928 -3.267 1.00 0.00 C ATOM 3 C GLY A 47 -0.874 12.555 -3.819 1.00 0.00 C ATOM 4 O GLY A 47 -1.507 11.573 -3.440 1.00 0.00 O ATOM 0 HA2 GLY A 47 -0.584 14.668 -3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.809 13.981 -2.234 1.00 0.00 H new ATOM 8 N GLU A 48 0.134 12.491 -4.678 1.00 0.00 N ATOM 9 CA GLU A 48 0.633 11.308 -5.360 1.00 0.00 C ATOM 10 C GLU A 48 0.910 10.183 -4.380 1.00 0.00 C ATOM 11 O GLU A 48 0.452 9.065 -4.584 1.00 0.00 O ATOM 12 CB GLU A 48 1.874 11.759 -6.123 1.00 0.00 C ATOM 13 CG GLU A 48 2.805 10.651 -6.608 1.00 0.00 C ATOM 14 CD GLU A 48 3.553 11.090 -7.870 1.00 0.00 C ATOM 15 OE1 GLU A 48 3.934 12.284 -7.968 1.00 0.00 O ATOM 16 OE2 GLU A 48 3.712 10.252 -8.787 1.00 0.00 O ATOM 0 H GLU A 48 0.661 13.326 -4.934 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.101 10.894 -6.051 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.553 12.340 -6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.445 12.431 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.519 10.400 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.229 9.749 -6.815 1.00 0.00 H new ATOM 23 N VAL A 49 1.601 10.497 -3.291 1.00 0.00 N ATOM 24 CA VAL A 49 1.915 9.519 -2.256 1.00 0.00 C ATOM 25 C VAL A 49 0.629 8.830 -1.779 1.00 0.00 C ATOM 26 O VAL A 49 0.604 7.611 -1.693 1.00 0.00 O ATOM 27 CB VAL A 49 2.731 10.179 -1.130 1.00 0.00 C ATOM 28 CG1 VAL A 49 2.027 11.400 -0.524 1.00 0.00 C ATOM 29 CG2 VAL A 49 3.100 9.177 -0.031 1.00 0.00 C ATOM 0 H VAL A 49 1.958 11.433 -3.101 1.00 0.00 H new ATOM 0 HA VAL A 49 2.549 8.730 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 49 3.650 10.531 -1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.649 11.824 0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.864 12.148 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.067 11.096 -0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.675 9.683 0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.190 8.763 0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.697 8.372 -0.459 1.00 0.00 H new ATOM 39 N ARG A 50 -0.454 9.562 -1.489 1.00 0.00 N ATOM 40 CA ARG A 50 -1.697 8.927 -1.043 1.00 0.00 C ATOM 41 C ARG A 50 -2.311 8.080 -2.152 1.00 0.00 C ATOM 42 O ARG A 50 -2.881 7.042 -1.842 1.00 0.00 O ATOM 43 CB ARG A 50 -2.721 9.941 -0.527 1.00 0.00 C ATOM 44 CG ARG A 50 -2.323 10.495 0.846 1.00 0.00 C ATOM 45 CD ARG A 50 -3.514 11.126 1.573 1.00 0.00 C ATOM 46 NE ARG A 50 -3.990 12.340 0.888 1.00 0.00 N ATOM 47 CZ ARG A 50 -5.191 12.911 1.019 1.00 0.00 C ATOM 48 NH1 ARG A 50 -6.052 12.510 1.948 1.00 0.00 N ATOM 49 NH2 ARG A 50 -5.521 13.904 0.206 1.00 0.00 N ATOM 0 H ARG A 50 -0.494 10.579 -1.554 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.429 8.278 -0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.812 10.762 -1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.701 9.468 -0.459 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.909 9.692 1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.536 11.240 0.723 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.326 10.402 1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.227 11.374 2.595 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.336 12.791 0.248 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.802 11.750 2.581 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.963 12.962 2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.862 14.221 -0.506 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.434 14.351 0.292 1.00 0.00 H new ATOM 63 N ASN A 51 -2.197 8.494 -3.417 1.00 0.00 N ATOM 64 CA ASN A 51 -2.749 7.740 -4.545 1.00 0.00 C ATOM 65 C ASN A 51 -2.041 6.401 -4.676 1.00 0.00 C ATOM 66 O ASN A 51 -2.702 5.368 -4.680 1.00 0.00 O ATOM 67 CB ASN A 51 -2.615 8.491 -5.879 1.00 0.00 C ATOM 68 CG ASN A 51 -3.622 9.600 -6.084 1.00 0.00 C ATOM 69 OD1 ASN A 51 -4.623 9.721 -5.380 1.00 0.00 O ATOM 70 ND2 ASN A 51 -3.364 10.457 -7.050 1.00 0.00 N ATOM 0 H ASN A 51 -1.723 9.356 -3.687 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.809 7.600 -4.335 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.612 8.913 -5.944 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.713 7.775 -6.695 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.999 11.236 -7.224 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.529 10.342 -7.624 1.00 0.00 H new ATOM 77 N ILE A 52 -0.706 6.400 -4.780 1.00 0.00 N ATOM 78 CA ILE A 52 0.050 5.158 -4.915 1.00 0.00 C ATOM 79 C ILE A 52 -0.200 4.249 -3.717 1.00 0.00 C ATOM 80 O ILE A 52 -0.277 3.034 -3.888 1.00 0.00 O ATOM 81 CB ILE A 52 1.551 5.428 -5.137 1.00 0.00 C ATOM 82 CG1 ILE A 52 2.260 4.130 -5.533 1.00 0.00 C ATOM 83 CG2 ILE A 52 2.261 5.973 -3.896 1.00 0.00 C ATOM 84 CD1 ILE A 52 3.440 4.394 -6.461 1.00 0.00 C ATOM 0 H ILE A 52 -0.133 7.244 -4.773 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.304 4.638 -5.805 1.00 0.00 H new ATOM 0 HB ILE A 52 1.604 6.181 -5.923 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.609 3.618 -4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.552 3.464 -6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.314 6.140 -4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.800 6.915 -3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.175 5.253 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.918 3.449 -6.720 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.087 4.883 -7.369 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.161 5.039 -5.959 1.00 0.00 H new ATOM 96 N VAL A 53 -0.332 4.839 -2.527 1.00 0.00 N ATOM 97 CA VAL A 53 -0.587 4.152 -1.283 1.00 0.00 C ATOM 98 C VAL A 53 -1.926 3.438 -1.442 1.00 0.00 C ATOM 99 O VAL A 53 -1.957 2.207 -1.385 1.00 0.00 O ATOM 100 CB VAL A 53 -0.521 5.198 -0.140 1.00 0.00 C ATOM 101 CG1 VAL A 53 -1.299 4.890 1.130 1.00 0.00 C ATOM 102 CG2 VAL A 53 0.925 5.454 0.299 1.00 0.00 C ATOM 0 H VAL A 53 -0.259 5.850 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 53 0.149 3.389 -1.027 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.994 6.061 -0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.166 5.702 1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.358 4.786 0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.932 3.960 1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.936 6.192 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.367 4.524 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.501 5.829 -0.547 1.00 0.00 H new ATOM 112 N ASP A 54 -3.013 4.187 -1.642 1.00 0.00 N ATOM 113 CA ASP A 54 -4.386 3.703 -1.812 1.00 0.00 C ATOM 114 C ASP A 54 -4.430 2.557 -2.820 1.00 0.00 C ATOM 115 O ASP A 54 -4.871 1.452 -2.502 1.00 0.00 O ATOM 116 CB ASP A 54 -5.283 4.876 -2.247 1.00 0.00 C ATOM 117 CG ASP A 54 -6.647 4.437 -2.789 1.00 0.00 C ATOM 118 OD1 ASP A 54 -7.553 4.193 -1.962 1.00 0.00 O ATOM 119 OD2 ASP A 54 -6.800 4.406 -4.029 1.00 0.00 O ATOM 0 H ASP A 54 -2.956 5.204 -1.693 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.758 3.312 -0.865 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.436 5.540 -1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.766 5.453 -3.013 1.00 0.00 H new ATOM 124 N LYS A 55 -3.885 2.793 -4.009 1.00 0.00 N ATOM 125 CA LYS A 55 -3.850 1.824 -5.087 1.00 0.00 C ATOM 126 C LYS A 55 -3.080 0.589 -4.670 1.00 0.00 C ATOM 127 O LYS A 55 -3.604 -0.520 -4.799 1.00 0.00 O ATOM 128 CB LYS A 55 -3.281 2.493 -6.339 1.00 0.00 C ATOM 129 CG LYS A 55 -4.406 3.301 -7.003 1.00 0.00 C ATOM 130 CD LYS A 55 -3.935 4.097 -8.224 1.00 0.00 C ATOM 131 CE LYS A 55 -3.325 3.189 -9.302 1.00 0.00 C ATOM 132 NZ LYS A 55 -3.613 3.678 -10.665 1.00 0.00 N ATOM 0 H LYS A 55 -3.448 3.682 -4.250 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.858 1.483 -5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.448 3.145 -6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.893 1.743 -7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.203 2.622 -7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.832 3.988 -6.272 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.777 4.646 -8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.197 4.836 -7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.246 3.130 -9.158 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.717 2.178 -9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.183 3.037 -11.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.642 3.710 -10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.217 4.632 -10.782 1.00 0.00 H new ATOM 146 N THR A 56 -1.851 0.737 -4.175 1.00 0.00 N ATOM 147 CA THR A 56 -1.080 -0.420 -3.747 1.00 0.00 C ATOM 148 C THR A 56 -1.841 -1.217 -2.675 1.00 0.00 C ATOM 149 O THR A 56 -1.803 -2.448 -2.711 1.00 0.00 O ATOM 150 CB THR A 56 0.322 0.019 -3.305 1.00 0.00 C ATOM 151 OG1 THR A 56 0.981 0.598 -4.415 1.00 0.00 O ATOM 152 CG2 THR A 56 1.144 -1.187 -2.829 1.00 0.00 C ATOM 0 H THR A 56 -1.378 1.634 -4.063 1.00 0.00 H new ATOM 0 HA THR A 56 -0.945 -1.103 -4.586 1.00 0.00 H new ATOM 0 HB THR A 56 0.228 0.731 -2.485 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.716 1.538 -4.499 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.135 -0.853 -2.520 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.641 -1.660 -1.985 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.241 -1.906 -3.643 1.00 0.00 H new ATOM 160 N ALA A 57 -2.557 -0.554 -1.756 1.00 0.00 N ATOM 161 CA ALA A 57 -3.288 -1.271 -0.718 1.00 0.00 C ATOM 162 C ALA A 57 -4.337 -2.200 -1.314 1.00 0.00 C ATOM 163 O ALA A 57 -4.482 -3.293 -0.773 1.00 0.00 O ATOM 164 CB ALA A 57 -3.932 -0.332 0.298 1.00 0.00 C ATOM 0 H ALA A 57 -2.641 0.462 -1.715 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.550 -1.873 -0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.463 -0.917 1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.159 0.264 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.634 0.329 -0.211 1.00 0.00 H new ATOM 170 N SER A 58 -5.014 -1.801 -2.396 1.00 0.00 N ATOM 171 CA SER A 58 -6.035 -2.591 -3.071 1.00 0.00 C ATOM 172 C SER A 58 -5.472 -3.958 -3.457 1.00 0.00 C ATOM 173 O SER A 58 -5.887 -4.969 -2.907 1.00 0.00 O ATOM 174 CB SER A 58 -6.581 -1.837 -4.297 1.00 0.00 C ATOM 175 OG SER A 58 -7.707 -2.507 -4.834 1.00 0.00 O ATOM 0 H SER A 58 -4.858 -0.893 -2.834 1.00 0.00 H new ATOM 0 HA SER A 58 -6.869 -2.751 -2.388 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.857 -0.821 -4.013 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.803 -1.755 -5.056 1.00 0.00 H new ATOM 0 HG SER A 58 -8.510 -2.248 -4.336 1.00 0.00 H new ATOM 181 N PHE A 59 -4.464 -4.029 -4.329 1.00 0.00 N ATOM 182 CA PHE A 59 -3.915 -5.318 -4.746 1.00 0.00 C ATOM 183 C PHE A 59 -3.436 -6.168 -3.574 1.00 0.00 C ATOM 184 O PHE A 59 -3.680 -7.375 -3.561 1.00 0.00 O ATOM 185 CB PHE A 59 -2.788 -5.096 -5.752 1.00 0.00 C ATOM 186 CG PHE A 59 -2.524 -6.254 -6.695 1.00 0.00 C ATOM 187 CD1 PHE A 59 -3.528 -6.655 -7.597 1.00 0.00 C ATOM 188 CD2 PHE A 59 -1.275 -6.905 -6.719 1.00 0.00 C ATOM 189 CE1 PHE A 59 -3.295 -7.689 -8.517 1.00 0.00 C ATOM 190 CE2 PHE A 59 -1.037 -7.930 -7.652 1.00 0.00 C ATOM 191 CZ PHE A 59 -2.043 -8.322 -8.551 1.00 0.00 C ATOM 0 H PHE A 59 -4.016 -3.218 -4.755 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.722 -5.879 -5.217 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.022 -4.212 -6.345 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.871 -4.879 -5.204 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.488 -6.161 -7.581 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.502 -6.617 -6.022 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.076 -7.996 -9.196 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.074 -8.419 -7.678 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.853 -9.108 -9.266 1.00 0.00 H new ATOM 201 N VAL A 60 -2.766 -5.556 -2.596 1.00 0.00 N ATOM 202 CA VAL A 60 -2.276 -6.265 -1.421 1.00 0.00 C ATOM 203 C VAL A 60 -3.466 -6.804 -0.602 1.00 0.00 C ATOM 204 O VAL A 60 -3.394 -7.892 -0.043 1.00 0.00 O ATOM 205 CB VAL A 60 -1.281 -5.368 -0.666 1.00 0.00 C ATOM 206 CG1 VAL A 60 -0.745 -6.066 0.583 1.00 0.00 C ATOM 207 CG2 VAL A 60 -0.068 -5.006 -1.542 1.00 0.00 C ATOM 0 H VAL A 60 -2.550 -4.559 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.706 -7.155 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.831 -4.467 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.044 -5.407 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.573 -6.304 1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.235 -6.985 0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.614 -4.371 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.449 -5.917 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.407 -4.472 -2.430 1.00 0.00 H new ATOM 217 N ALA A 61 -4.591 -6.094 -0.562 1.00 0.00 N ATOM 218 CA ALA A 61 -5.783 -6.471 0.167 1.00 0.00 C ATOM 219 C ALA A 61 -6.480 -7.623 -0.554 1.00 0.00 C ATOM 220 O ALA A 61 -7.037 -8.507 0.089 1.00 0.00 O ATOM 221 CB ALA A 61 -6.703 -5.238 0.232 1.00 0.00 C ATOM 0 H ALA A 61 -4.693 -5.208 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.534 -6.803 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.613 -5.491 0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.187 -4.426 0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.961 -4.923 -0.779 1.00 0.00 H new ATOM 227 N ARG A 62 -6.427 -7.626 -1.888 1.00 0.00 N ATOM 228 CA ARG A 62 -7.066 -8.642 -2.712 1.00 0.00 C ATOM 229 C ARG A 62 -6.304 -9.949 -2.716 1.00 0.00 C ATOM 230 O ARG A 62 -6.889 -11.011 -2.491 1.00 0.00 O ATOM 231 CB ARG A 62 -7.243 -8.084 -4.131 1.00 0.00 C ATOM 232 CG ARG A 62 -8.240 -6.937 -4.034 1.00 0.00 C ATOM 233 CD ARG A 62 -8.667 -6.343 -5.356 1.00 0.00 C ATOM 234 NE ARG A 62 -9.578 -5.234 -5.056 1.00 0.00 N ATOM 235 CZ ARG A 62 -10.438 -4.614 -5.854 1.00 0.00 C ATOM 236 NH1 ARG A 62 -10.621 -5.007 -7.106 1.00 0.00 N ATOM 237 NH2 ARG A 62 -11.118 -3.593 -5.355 1.00 0.00 N ATOM 0 H ARG A 62 -5.933 -6.914 -2.427 1.00 0.00 H new ATOM 0 HA ARG A 62 -8.042 -8.875 -2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.291 -7.735 -4.530 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.608 -8.857 -4.807 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.127 -7.291 -3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.803 -6.147 -3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.802 -5.990 -5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.163 -7.093 -5.973 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.546 -4.890 -4.096 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.096 -5.800 -7.473 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.287 -4.516 -7.702 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.972 -3.307 -4.387 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.788 -3.092 -5.939 1.00 0.00 H new ATOM 251 N ASN A 63 -5.015 -9.871 -3.023 1.00 0.00 N ATOM 252 CA ASN A 63 -4.151 -11.045 -3.083 1.00 0.00 C ATOM 253 C ASN A 63 -3.832 -11.566 -1.683 1.00 0.00 C ATOM 254 O ASN A 63 -3.920 -12.770 -1.454 1.00 0.00 O ATOM 255 CB ASN A 63 -2.840 -10.755 -3.825 1.00 0.00 C ATOM 256 CG ASN A 63 -2.991 -10.463 -5.315 1.00 0.00 C ATOM 257 OD1 ASN A 63 -2.632 -11.266 -6.173 1.00 0.00 O ATOM 258 ND2 ASN A 63 -3.504 -9.294 -5.663 1.00 0.00 N ATOM 0 H ASN A 63 -4.539 -8.994 -3.237 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.701 -11.807 -3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.353 -9.903 -3.351 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.175 -11.610 -3.704 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.604 -9.054 -6.649 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.800 -8.633 -4.945 1.00 0.00 H new ATOM 265 N GLY A 64 -3.499 -10.676 -0.746 1.00 0.00 N ATOM 266 CA GLY A 64 -3.159 -11.006 0.628 1.00 0.00 C ATOM 267 C GLY A 64 -1.898 -10.260 1.088 1.00 0.00 C ATOM 268 O GLY A 64 -1.155 -9.709 0.265 1.00 0.00 O ATOM 0 H GLY A 64 -3.459 -9.674 -0.935 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.993 -10.751 1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.001 -12.081 0.717 1.00 0.00 H new ATOM 272 N PRO A 65 -1.633 -10.237 2.407 1.00 0.00 N ATOM 273 CA PRO A 65 -0.486 -9.556 3.001 1.00 0.00 C ATOM 274 C PRO A 65 0.875 -10.060 2.515 1.00 0.00 C ATOM 275 O PRO A 65 1.854 -9.333 2.677 1.00 0.00 O ATOM 276 CB PRO A 65 -0.645 -9.703 4.518 1.00 0.00 C ATOM 277 CG PRO A 65 -1.528 -10.938 4.665 1.00 0.00 C ATOM 278 CD PRO A 65 -2.439 -10.860 3.444 1.00 0.00 C ATOM 0 HA PRO A 65 -0.486 -8.511 2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.318 -9.837 5.011 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.110 -8.822 4.960 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.940 -11.856 4.671 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.097 -10.918 5.594 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.775 -11.851 3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.332 -10.272 3.656 1.00 0.00 H new ATOM 286 N GLU A 66 0.971 -11.236 1.889 1.00 0.00 N ATOM 287 CA GLU A 66 2.242 -11.756 1.386 1.00 0.00 C ATOM 288 C GLU A 66 2.889 -10.768 0.406 1.00 0.00 C ATOM 289 O GLU A 66 4.111 -10.600 0.396 1.00 0.00 O ATOM 290 CB GLU A 66 2.038 -13.131 0.726 1.00 0.00 C ATOM 291 CG GLU A 66 1.149 -13.130 -0.537 1.00 0.00 C ATOM 292 CD GLU A 66 1.907 -13.575 -1.785 1.00 0.00 C ATOM 293 OE1 GLU A 66 2.534 -12.728 -2.454 1.00 0.00 O ATOM 294 OE2 GLU A 66 1.833 -14.781 -2.125 1.00 0.00 O ATOM 0 H GLU A 66 0.175 -11.850 1.718 1.00 0.00 H new ATOM 0 HA GLU A 66 2.919 -11.880 2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.014 -13.538 0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.598 -13.806 1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.297 -13.791 -0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.750 -12.128 -0.696 1.00 0.00 H new ATOM 301 N PHE A 67 2.060 -10.091 -0.393 1.00 0.00 N ATOM 302 CA PHE A 67 2.487 -9.122 -1.381 1.00 0.00 C ATOM 303 C PHE A 67 3.064 -7.903 -0.688 1.00 0.00 C ATOM 304 O PHE A 67 3.959 -7.268 -1.231 1.00 0.00 O ATOM 305 CB PHE A 67 1.310 -8.682 -2.258 1.00 0.00 C ATOM 306 CG PHE A 67 1.166 -9.446 -3.550 1.00 0.00 C ATOM 307 CD1 PHE A 67 0.424 -10.636 -3.597 1.00 0.00 C ATOM 308 CD2 PHE A 67 1.775 -8.951 -4.716 1.00 0.00 C ATOM 309 CE1 PHE A 67 0.265 -11.307 -4.822 1.00 0.00 C ATOM 310 CE2 PHE A 67 1.602 -9.614 -5.943 1.00 0.00 C ATOM 311 CZ PHE A 67 0.828 -10.784 -6.001 1.00 0.00 C ATOM 0 H PHE A 67 1.048 -10.212 -0.362 1.00 0.00 H new ATOM 0 HA PHE A 67 3.244 -9.590 -2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.389 -8.787 -1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.423 -7.623 -2.489 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.022 -11.034 -2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 67 2.379 -8.057 -4.669 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.293 -12.231 -4.859 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.063 -9.225 -6.839 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.665 -11.280 -6.946 1.00 0.00 H new ATOM 321 N GLU A 68 2.537 -7.538 0.479 1.00 0.00 N ATOM 322 CA GLU A 68 3.007 -6.385 1.218 1.00 0.00 C ATOM 323 C GLU A 68 4.488 -6.557 1.526 1.00 0.00 C ATOM 324 O GLU A 68 5.280 -5.640 1.315 1.00 0.00 O ATOM 325 CB GLU A 68 2.220 -6.259 2.535 1.00 0.00 C ATOM 326 CG GLU A 68 2.402 -4.903 3.204 1.00 0.00 C ATOM 327 CD GLU A 68 1.716 -4.882 4.570 1.00 0.00 C ATOM 328 OE1 GLU A 68 2.293 -5.420 5.545 1.00 0.00 O ATOM 329 OE2 GLU A 68 0.653 -4.235 4.706 1.00 0.00 O ATOM 0 H GLU A 68 1.772 -8.038 0.933 1.00 0.00 H new ATOM 0 HA GLU A 68 2.858 -5.484 0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.161 -6.422 2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.540 -7.043 3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.464 -4.689 3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.987 -4.120 2.570 1.00 0.00 H new ATOM 336 N ALA A 69 4.839 -7.742 2.029 1.00 0.00 N ATOM 337 CA ALA A 69 6.207 -8.049 2.394 1.00 0.00 C ATOM 338 C ALA A 69 7.067 -8.209 1.144 1.00 0.00 C ATOM 339 O ALA A 69 8.178 -7.685 1.097 1.00 0.00 O ATOM 340 CB ALA A 69 6.248 -9.318 3.252 1.00 0.00 C ATOM 0 H ALA A 69 4.182 -8.505 2.191 1.00 0.00 H new ATOM 0 HA ALA A 69 6.612 -7.224 2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.280 -9.542 3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.661 -9.164 4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.832 -10.152 2.688 1.00 0.00 H new ATOM 346 N ARG A 70 6.567 -8.935 0.137 1.00 0.00 N ATOM 347 CA ARG A 70 7.269 -9.170 -1.117 1.00 0.00 C ATOM 348 C ARG A 70 7.635 -7.848 -1.780 1.00 0.00 C ATOM 349 O ARG A 70 8.814 -7.592 -2.005 1.00 0.00 O ATOM 350 CB ARG A 70 6.419 -10.053 -2.036 1.00 0.00 C ATOM 351 CG ARG A 70 6.858 -11.526 -1.964 1.00 0.00 C ATOM 352 CD ARG A 70 5.859 -12.401 -2.722 1.00 0.00 C ATOM 353 NE ARG A 70 6.475 -13.587 -3.363 1.00 0.00 N ATOM 354 CZ ARG A 70 6.285 -13.995 -4.632 1.00 0.00 C ATOM 355 NH1 ARG A 70 5.413 -13.400 -5.435 1.00 0.00 N ATOM 356 NH2 ARG A 70 6.976 -15.015 -5.123 1.00 0.00 N ATOM 0 H ARG A 70 5.650 -9.379 0.177 1.00 0.00 H new ATOM 0 HA ARG A 70 8.200 -9.699 -0.914 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.370 -9.970 -1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.501 -9.697 -3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.854 -11.640 -2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.920 -11.846 -0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.083 -12.733 -2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.369 -11.799 -3.487 1.00 0.00 H new ATOM 0 HE ARG A 70 7.103 -14.148 -2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.864 -12.610 -5.096 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.292 -13.732 -6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.658 -15.498 -4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.825 -15.317 -6.086 1.00 0.00 H new ATOM 370 N ILE A 71 6.644 -7.012 -2.088 1.00 0.00 N ATOM 371 CA ILE A 71 6.854 -5.722 -2.738 1.00 0.00 C ATOM 372 C ILE A 71 7.797 -4.870 -1.890 1.00 0.00 C ATOM 373 O ILE A 71 8.752 -4.320 -2.439 1.00 0.00 O ATOM 374 CB ILE A 71 5.512 -4.996 -2.986 1.00 0.00 C ATOM 375 CG1 ILE A 71 4.522 -5.786 -3.876 1.00 0.00 C ATOM 376 CG2 ILE A 71 5.750 -3.625 -3.642 1.00 0.00 C ATOM 377 CD1 ILE A 71 3.080 -5.315 -3.637 1.00 0.00 C ATOM 0 H ILE A 71 5.664 -7.215 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 71 7.312 -5.889 -3.713 1.00 0.00 H new ATOM 0 HB ILE A 71 5.062 -4.892 -1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.784 -5.653 -4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.602 -6.851 -3.660 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.793 -3.130 -3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.367 -3.010 -2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.258 -3.762 -4.596 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.401 -5.884 -4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.815 -5.472 -2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.999 -4.255 -3.877 1.00 0.00 H new ATOM 389 N ARG A 72 7.557 -4.763 -0.575 1.00 0.00 N ATOM 390 CA ARG A 72 8.407 -3.954 0.288 1.00 0.00 C ATOM 391 C ARG A 72 9.857 -4.390 0.197 1.00 0.00 C ATOM 392 O ARG A 72 10.724 -3.541 0.046 1.00 0.00 O ATOM 393 CB ARG A 72 7.941 -4.018 1.745 1.00 0.00 C ATOM 394 CG ARG A 72 8.722 -3.004 2.594 1.00 0.00 C ATOM 395 CD ARG A 72 8.324 -3.109 4.064 1.00 0.00 C ATOM 396 NE ARG A 72 8.892 -4.305 4.706 1.00 0.00 N ATOM 397 CZ ARG A 72 10.161 -4.516 5.069 1.00 0.00 C ATOM 398 NH1 ARG A 72 11.086 -3.577 4.893 1.00 0.00 N ATOM 399 NH2 ARG A 72 10.489 -5.686 5.602 1.00 0.00 N ATOM 0 H ARG A 72 6.785 -5.226 -0.095 1.00 0.00 H new ATOM 0 HA ARG A 72 8.328 -2.924 -0.060 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.873 -3.807 1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.089 -5.024 2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.792 -3.182 2.489 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.530 -1.994 2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.660 -2.218 4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.237 -3.136 4.144 1.00 0.00 H new ATOM 0 HE ARG A 72 8.239 -5.065 4.897 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.831 -2.682 4.476 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.051 -3.752 5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.778 -6.406 5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.452 -5.865 5.885 1.00 0.00 H new ATOM 413 N GLN A 73 10.125 -5.686 0.329 1.00 0.00 N ATOM 414 CA GLN A 73 11.475 -6.211 0.275 1.00 0.00 C ATOM 415 C GLN A 73 12.104 -6.023 -1.095 1.00 0.00 C ATOM 416 O GLN A 73 13.294 -5.712 -1.166 1.00 0.00 O ATOM 417 CB GLN A 73 11.463 -7.701 0.640 1.00 0.00 C ATOM 418 CG GLN A 73 12.867 -8.267 0.884 1.00 0.00 C ATOM 419 CD GLN A 73 13.591 -7.574 2.031 1.00 0.00 C ATOM 420 OE1 GLN A 73 13.444 -7.945 3.188 1.00 0.00 O ATOM 421 NE2 GLN A 73 14.413 -6.573 1.741 1.00 0.00 N ATOM 0 H GLN A 73 9.409 -6.397 0.476 1.00 0.00 H new ATOM 0 HA GLN A 73 12.077 -5.655 0.993 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.858 -7.846 1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.985 -8.263 -0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.792 -9.333 1.099 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.458 -8.166 -0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.528 -6.272 0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.929 -6.105 2.486 1.00 0.00 H new ATOM 430 N ASN A 74 11.332 -6.224 -2.162 1.00 0.00 N ATOM 431 CA ASN A 74 11.832 -6.091 -3.520 1.00 0.00 C ATOM 432 C ASN A 74 12.260 -4.665 -3.812 1.00 0.00 C ATOM 433 O ASN A 74 13.360 -4.443 -4.312 1.00 0.00 O ATOM 434 CB ASN A 74 10.779 -6.504 -4.564 1.00 0.00 C ATOM 435 CG ASN A 74 10.585 -8.008 -4.637 1.00 0.00 C ATOM 436 OD1 ASN A 74 11.538 -8.768 -4.498 1.00 0.00 O ATOM 437 ND2 ASN A 74 9.372 -8.470 -4.873 1.00 0.00 N ATOM 0 H ASN A 74 10.347 -6.482 -2.105 1.00 0.00 H new ATOM 0 HA ASN A 74 12.691 -6.759 -3.593 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.828 -6.030 -4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.079 -6.133 -5.544 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.214 -9.475 -4.943 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.592 -7.822 -4.986 1.00 0.00 H new ATOM 444 N GLU A 75 11.410 -3.696 -3.482 1.00 0.00 N ATOM 445 CA GLU A 75 11.638 -2.279 -3.721 1.00 0.00 C ATOM 446 C GLU A 75 12.045 -1.525 -2.456 1.00 0.00 C ATOM 447 O GLU A 75 11.783 -0.331 -2.316 1.00 0.00 O ATOM 448 CB GLU A 75 10.405 -1.698 -4.426 1.00 0.00 C ATOM 449 CG GLU A 75 10.307 -2.155 -5.891 1.00 0.00 C ATOM 450 CD GLU A 75 11.213 -1.326 -6.819 1.00 0.00 C ATOM 451 OE1 GLU A 75 12.427 -1.179 -6.557 1.00 0.00 O ATOM 452 OE2 GLU A 75 10.704 -0.795 -7.833 1.00 0.00 O ATOM 0 H GLU A 75 10.517 -3.884 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 75 12.497 -2.153 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.505 -2.002 -3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.446 -0.609 -4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.583 -3.207 -5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.273 -2.074 -6.227 1.00 0.00 H new ATOM 459 N ILE A 76 12.762 -2.189 -1.550 1.00 0.00 N ATOM 460 CA ILE A 76 13.257 -1.631 -0.284 1.00 0.00 C ATOM 461 C ILE A 76 14.239 -0.460 -0.497 1.00 0.00 C ATOM 462 O ILE A 76 14.644 0.228 0.441 1.00 0.00 O ATOM 463 CB ILE A 76 13.886 -2.795 0.515 1.00 0.00 C ATOM 464 CG1 ILE A 76 14.233 -2.474 1.975 1.00 0.00 C ATOM 465 CG2 ILE A 76 15.136 -3.366 -0.170 1.00 0.00 C ATOM 466 CD1 ILE A 76 13.055 -1.900 2.761 1.00 0.00 C ATOM 0 H ILE A 76 13.026 -3.166 -1.679 1.00 0.00 H new ATOM 0 HA ILE A 76 12.432 -1.194 0.279 1.00 0.00 H new ATOM 0 HB ILE A 76 13.089 -3.538 0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.582 -3.382 2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 76 15.058 -1.762 1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.540 -4.181 0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.870 -3.741 -1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 76 15.887 -2.582 -0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.366 -1.695 3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.720 -0.975 2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.237 -2.620 2.768 1.00 0.00 H new ATOM 478 N ASN A 77 14.640 -0.246 -1.748 1.00 0.00 N ATOM 479 CA ASN A 77 15.565 0.772 -2.213 1.00 0.00 C ATOM 480 C ASN A 77 14.885 1.871 -3.024 1.00 0.00 C ATOM 481 O ASN A 77 15.590 2.705 -3.589 1.00 0.00 O ATOM 482 CB ASN A 77 16.629 0.072 -3.071 1.00 0.00 C ATOM 483 CG ASN A 77 17.534 -0.796 -2.223 1.00 0.00 C ATOM 484 OD1 ASN A 77 17.497 -2.023 -2.314 1.00 0.00 O ATOM 485 ND2 ASN A 77 18.352 -0.186 -1.391 1.00 0.00 N ATOM 0 H ASN A 77 14.299 -0.825 -2.516 1.00 0.00 H new ATOM 0 HA ASN A 77 16.004 1.264 -1.345 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.142 -0.539 -3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 77 17.225 0.818 -3.596 1.00 0.00 H new ATOM 0 HD21 ASN A 77 18.978 -0.732 -0.799 1.00 0.00 H new ATOM 0 HD22 ASN A 77 18.360 0.833 -1.338 1.00 0.00 H new ATOM 492 N ASN A 78 13.548 1.893 -3.122 1.00 0.00 N ATOM 493 CA ASN A 78 12.848 2.911 -3.901 1.00 0.00 C ATOM 494 C ASN A 78 11.716 3.571 -3.118 1.00 0.00 C ATOM 495 O ASN A 78 11.032 2.917 -2.325 1.00 0.00 O ATOM 496 CB ASN A 78 12.371 2.311 -5.239 1.00 0.00 C ATOM 497 CG ASN A 78 12.999 3.055 -6.409 1.00 0.00 C ATOM 498 OD1 ASN A 78 14.194 3.297 -6.447 1.00 0.00 O ATOM 499 ND2 ASN A 78 12.223 3.494 -7.381 1.00 0.00 N ATOM 0 H ASN A 78 12.934 1.215 -2.670 1.00 0.00 H new ATOM 0 HA ASN A 78 13.551 3.715 -4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.637 1.255 -5.287 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.284 2.369 -5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.624 4.029 -8.152 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.222 3.299 -7.362 1.00 0.00 H new ATOM 506 N PRO A 79 11.451 4.863 -3.380 1.00 0.00 N ATOM 507 CA PRO A 79 10.422 5.639 -2.712 1.00 0.00 C ATOM 508 C PRO A 79 9.022 5.295 -3.217 1.00 0.00 C ATOM 509 O PRO A 79 8.048 5.459 -2.488 1.00 0.00 O ATOM 510 CB PRO A 79 10.810 7.087 -2.976 1.00 0.00 C ATOM 511 CG PRO A 79 11.425 7.034 -4.368 1.00 0.00 C ATOM 512 CD PRO A 79 12.179 5.720 -4.299 1.00 0.00 C ATOM 0 HA PRO A 79 10.370 5.427 -1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.944 7.748 -2.943 1.00 0.00 H new ATOM 0 HB3 PRO A 79 11.520 7.455 -2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 79 10.669 7.035 -5.153 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.086 7.879 -4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.245 5.261 -5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.200 5.879 -3.952 1.00 0.00 H new ATOM 520 N LYS A 80 8.900 4.731 -4.423 1.00 0.00 N ATOM 521 CA LYS A 80 7.621 4.336 -5.016 1.00 0.00 C ATOM 522 C LYS A 80 6.909 3.245 -4.211 1.00 0.00 C ATOM 523 O LYS A 80 5.764 2.917 -4.516 1.00 0.00 O ATOM 524 CB LYS A 80 7.865 3.876 -6.463 1.00 0.00 C ATOM 525 CG LYS A 80 8.104 5.061 -7.409 1.00 0.00 C ATOM 526 CD LYS A 80 6.778 5.728 -7.784 1.00 0.00 C ATOM 527 CE LYS A 80 7.029 6.983 -8.620 1.00 0.00 C ATOM 528 NZ LYS A 80 5.782 7.466 -9.233 1.00 0.00 N ATOM 0 H LYS A 80 9.701 4.534 -5.023 1.00 0.00 H new ATOM 0 HA LYS A 80 6.959 5.202 -5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.727 3.210 -6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.006 3.302 -6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.760 5.788 -6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.612 4.717 -8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.158 5.028 -8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.227 5.990 -6.881 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.455 7.764 -7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.761 6.766 -9.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.979 8.319 -9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.390 6.727 -9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.094 7.695 -8.487 1.00 0.00 H new ATOM 542 N PHE A 81 7.565 2.696 -3.189 1.00 0.00 N ATOM 543 CA PHE A 81 7.055 1.663 -2.309 1.00 0.00 C ATOM 544 C PHE A 81 7.544 1.878 -0.877 1.00 0.00 C ATOM 545 O PHE A 81 7.283 1.032 -0.024 1.00 0.00 O ATOM 546 CB PHE A 81 7.526 0.298 -2.832 1.00 0.00 C ATOM 547 CG PHE A 81 7.228 0.049 -4.301 1.00 0.00 C ATOM 548 CD1 PHE A 81 8.119 0.501 -5.293 1.00 0.00 C ATOM 549 CD2 PHE A 81 6.026 -0.568 -4.683 1.00 0.00 C ATOM 550 CE1 PHE A 81 7.801 0.355 -6.651 1.00 0.00 C ATOM 551 CE2 PHE A 81 5.727 -0.753 -6.045 1.00 0.00 C ATOM 552 CZ PHE A 81 6.602 -0.264 -7.030 1.00 0.00 C ATOM 0 H PHE A 81 8.514 2.979 -2.946 1.00 0.00 H new ATOM 0 HA PHE A 81 5.966 1.703 -2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.601 0.213 -2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.054 -0.486 -2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.052 0.963 -5.007 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.329 -0.902 -3.929 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.481 0.720 -7.406 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.825 -1.271 -6.334 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.351 -0.365 -8.076 1.00 0.00 H new ATOM 562 N ASN A 82 8.241 2.986 -0.579 1.00 0.00 N ATOM 563 CA ASN A 82 8.743 3.217 0.769 1.00 0.00 C ATOM 564 C ASN A 82 7.639 3.378 1.804 1.00 0.00 C ATOM 565 O ASN A 82 7.912 3.192 2.986 1.00 0.00 O ATOM 566 CB ASN A 82 9.740 4.375 0.841 1.00 0.00 C ATOM 567 CG ASN A 82 9.109 5.767 0.858 1.00 0.00 C ATOM 568 OD1 ASN A 82 7.962 5.969 0.472 1.00 0.00 O ATOM 569 ND2 ASN A 82 9.853 6.764 1.284 1.00 0.00 N ATOM 0 H ASN A 82 8.463 3.722 -1.249 1.00 0.00 H new ATOM 0 HA ASN A 82 9.284 2.306 1.025 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.348 4.257 1.738 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.415 4.308 -0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 82 9.477 7.712 1.295 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.806 6.589 1.604 1.00 0.00 H new ATOM 576 N PHE A 83 6.406 3.666 1.381 1.00 0.00 N ATOM 577 CA PHE A 83 5.264 3.815 2.272 1.00 0.00 C ATOM 578 C PHE A 83 4.967 2.473 2.961 1.00 0.00 C ATOM 579 O PHE A 83 4.279 2.442 3.979 1.00 0.00 O ATOM 580 CB PHE A 83 4.062 4.345 1.479 1.00 0.00 C ATOM 581 CG PHE A 83 3.662 3.493 0.285 1.00 0.00 C ATOM 582 CD1 PHE A 83 2.943 2.298 0.484 1.00 0.00 C ATOM 583 CD2 PHE A 83 4.004 3.877 -1.029 1.00 0.00 C ATOM 584 CE1 PHE A 83 2.617 1.477 -0.607 1.00 0.00 C ATOM 585 CE2 PHE A 83 3.669 3.058 -2.107 1.00 0.00 C ATOM 586 CZ PHE A 83 2.995 1.852 -1.903 1.00 0.00 C ATOM 0 H PHE A 83 6.175 3.803 0.397 1.00 0.00 H new ATOM 0 HA PHE A 83 5.485 4.540 3.055 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.208 4.427 2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.290 5.352 1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.641 2.012 1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.526 4.807 -1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.075 0.557 -0.447 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.934 3.359 -3.110 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.766 1.211 -2.741 1.00 0.00 H new ATOM 596 N LEU A 84 5.451 1.356 2.399 1.00 0.00 N ATOM 597 CA LEU A 84 5.280 0.022 2.955 1.00 0.00 C ATOM 598 C LEU A 84 6.184 -0.133 4.179 1.00 0.00 C ATOM 599 O LEU A 84 5.986 -1.053 4.972 1.00 0.00 O ATOM 600 CB LEU A 84 5.662 -1.047 1.915 1.00 0.00 C ATOM 601 CG LEU A 84 4.744 -1.127 0.686 1.00 0.00 C ATOM 602 CD1 LEU A 84 5.282 -2.142 -0.324 1.00 0.00 C ATOM 603 CD2 LEU A 84 3.336 -1.559 1.090 1.00 0.00 C ATOM 0 H LEU A 84 5.982 1.364 1.528 1.00 0.00 H new ATOM 0 HA LEU A 84 4.235 -0.110 3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.679 -0.852 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.670 -2.020 2.405 1.00 0.00 H new ATOM 0 HG LEU A 84 4.714 -0.134 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.618 -2.184 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.278 -1.841 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.334 -3.126 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.703 -1.609 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.378 -2.541 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.921 -0.836 1.792 1.00 0.00 H new ATOM 615 N ASN A 85 7.225 0.694 4.311 1.00 0.00 N ATOM 616 CA ASN A 85 8.135 0.649 5.445 1.00 0.00 C ATOM 617 C ASN A 85 7.494 1.451 6.578 1.00 0.00 C ATOM 618 O ASN A 85 6.868 2.479 6.326 1.00 0.00 O ATOM 619 CB ASN A 85 9.521 1.217 5.118 1.00 0.00 C ATOM 620 CG ASN A 85 10.238 0.405 4.053 1.00 0.00 C ATOM 621 OD1 ASN A 85 10.583 -0.755 4.282 1.00 0.00 O ATOM 622 ND2 ASN A 85 10.454 0.986 2.890 1.00 0.00 N ATOM 0 H ASN A 85 7.456 1.415 3.627 1.00 0.00 H new ATOM 0 HA ASN A 85 8.293 -0.392 5.728 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.418 2.248 4.779 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.126 1.239 6.024 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.921 0.473 2.143 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.154 1.949 2.737 1.00 0.00 H new ATOM 629 N PRO A 86 7.695 1.045 7.836 1.00 0.00 N ATOM 630 CA PRO A 86 7.117 1.714 8.998 1.00 0.00 C ATOM 631 C PRO A 86 7.692 3.105 9.269 1.00 0.00 C ATOM 632 O PRO A 86 7.060 3.906 9.960 1.00 0.00 O ATOM 633 CB PRO A 86 7.425 0.784 10.175 1.00 0.00 C ATOM 634 CG PRO A 86 8.648 -0.004 9.716 1.00 0.00 C ATOM 635 CD PRO A 86 8.432 -0.140 8.221 1.00 0.00 C ATOM 0 HA PRO A 86 6.053 1.885 8.834 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.632 1.348 11.085 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.585 0.125 10.393 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.575 0.523 9.943 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.707 -0.977 10.204 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.382 -0.203 7.690 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.873 -1.046 7.984 1.00 0.00 H new ATOM 643 N ASN A 87 8.883 3.374 8.737 1.00 0.00 N ATOM 644 CA ASN A 87 9.643 4.612 8.874 1.00 0.00 C ATOM 645 C ASN A 87 9.019 5.793 8.130 1.00 0.00 C ATOM 646 O ASN A 87 9.497 6.923 8.276 1.00 0.00 O ATOM 647 CB ASN A 87 11.065 4.379 8.335 1.00 0.00 C ATOM 648 CG ASN A 87 11.711 3.120 8.895 1.00 0.00 C ATOM 649 OD1 ASN A 87 11.752 2.047 8.125 1.00 0.00 O flip ATOM 650 ND2 ASN A 87 12.118 3.071 10.050 1.00 0.00 N flip ATOM 0 H ASN A 87 9.373 2.688 8.162 1.00 0.00 H new ATOM 0 HA ASN A 87 9.648 4.871 9.933 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.029 4.310 7.248 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.687 5.240 8.580 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.083 3.903 10.639 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.491 2.198 10.423 1.00 0.00 H new ATOM 657 N ASP A 88 8.018 5.556 7.278 1.00 0.00 N ATOM 658 CA ASP A 88 7.346 6.605 6.518 1.00 0.00 C ATOM 659 C ASP A 88 6.093 7.040 7.274 1.00 0.00 C ATOM 660 O ASP A 88 5.482 6.234 7.982 1.00 0.00 O ATOM 661 CB ASP A 88 7.039 6.130 5.089 1.00 0.00 C ATOM 662 CG ASP A 88 7.974 6.828 4.104 1.00 0.00 C ATOM 663 OD1 ASP A 88 9.209 6.658 4.240 1.00 0.00 O ATOM 664 OD2 ASP A 88 7.464 7.589 3.253 1.00 0.00 O ATOM 0 H ASP A 88 7.651 4.622 7.097 1.00 0.00 H new ATOM 0 HA ASP A 88 7.999 7.472 6.417 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.163 5.049 5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.001 6.348 4.838 1.00 0.00 H new ATOM 669 N PRO A 89 5.670 8.303 7.129 1.00 0.00 N ATOM 670 CA PRO A 89 4.506 8.828 7.823 1.00 0.00 C ATOM 671 C PRO A 89 3.196 8.264 7.294 1.00 0.00 C ATOM 672 O PRO A 89 2.285 7.983 8.071 1.00 0.00 O ATOM 673 CB PRO A 89 4.551 10.342 7.606 1.00 0.00 C ATOM 674 CG PRO A 89 5.454 10.562 6.400 1.00 0.00 C ATOM 675 CD PRO A 89 6.313 9.317 6.310 1.00 0.00 C ATOM 0 HA PRO A 89 4.540 8.548 8.876 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.553 10.741 7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.943 10.852 8.486 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.869 10.702 5.491 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.067 11.454 6.525 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.400 8.981 5.277 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.323 9.518 6.666 1.00 0.00 H new ATOM 683 N TYR A 90 3.104 8.103 5.975 1.00 0.00 N ATOM 684 CA TYR A 90 1.917 7.607 5.293 1.00 0.00 C ATOM 685 C TYR A 90 1.689 6.123 5.533 1.00 0.00 C ATOM 686 O TYR A 90 0.655 5.604 5.125 1.00 0.00 O ATOM 687 CB TYR A 90 2.010 7.926 3.796 1.00 0.00 C ATOM 688 CG TYR A 90 1.824 9.400 3.490 1.00 0.00 C ATOM 689 CD1 TYR A 90 2.923 10.277 3.467 1.00 0.00 C ATOM 690 CD2 TYR A 90 0.529 9.904 3.271 1.00 0.00 C ATOM 691 CE1 TYR A 90 2.733 11.641 3.175 1.00 0.00 C ATOM 692 CE2 TYR A 90 0.333 11.266 2.983 1.00 0.00 C ATOM 693 CZ TYR A 90 1.437 12.141 2.903 1.00 0.00 C ATOM 694 OH TYR A 90 1.251 13.448 2.556 1.00 0.00 O ATOM 0 H TYR A 90 3.872 8.320 5.339 1.00 0.00 H new ATOM 0 HA TYR A 90 1.050 8.118 5.711 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.981 7.603 3.421 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.254 7.351 3.260 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.915 9.903 3.674 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -0.321 9.240 3.325 1.00 0.00 H new ATOM 0 HE1 TYR A 90 3.581 12.310 3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.666 11.644 2.822 1.00 0.00 H new ATOM 0 HH TYR A 90 0.297 13.614 2.405 1.00 0.00 H new ATOM 704 N HIS A 91 2.621 5.444 6.203 1.00 0.00 N ATOM 705 CA HIS A 91 2.508 4.036 6.497 1.00 0.00 C ATOM 706 C HIS A 91 1.216 3.749 7.260 1.00 0.00 C ATOM 707 O HIS A 91 0.452 2.892 6.839 1.00 0.00 O ATOM 708 CB HIS A 91 3.739 3.597 7.276 1.00 0.00 C ATOM 709 CG HIS A 91 3.716 2.111 7.510 1.00 0.00 C ATOM 710 ND1 HIS A 91 4.041 1.180 6.558 1.00 0.00 N ATOM 711 CD2 HIS A 91 3.261 1.440 8.612 1.00 0.00 C ATOM 712 CE1 HIS A 91 3.831 -0.035 7.084 1.00 0.00 C ATOM 713 NE2 HIS A 91 3.369 0.069 8.345 1.00 0.00 N ATOM 0 H HIS A 91 3.478 5.870 6.555 1.00 0.00 H new ATOM 0 HA HIS A 91 2.460 3.463 5.571 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.640 3.870 6.727 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.777 4.120 8.231 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.382 1.377 5.617 1.00 0.00 H new ATOM 0 HD2 HIS A 91 2.887 1.886 9.522 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.008 -0.967 6.568 1.00 0.00 H new ATOM 721 N ALA A 92 0.923 4.474 8.347 1.00 0.00 N ATOM 722 CA ALA A 92 -0.303 4.240 9.110 1.00 0.00 C ATOM 723 C ALA A 92 -1.553 4.388 8.234 1.00 0.00 C ATOM 724 O ALA A 92 -2.518 3.645 8.417 1.00 0.00 O ATOM 725 CB ALA A 92 -0.353 5.171 10.319 1.00 0.00 C ATOM 0 H ALA A 92 1.514 5.220 8.713 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.291 3.210 9.468 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.269 4.989 10.881 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.509 4.982 10.959 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.334 6.207 9.981 1.00 0.00 H new ATOM 731 N TYR A 93 -1.554 5.348 7.308 1.00 0.00 N ATOM 732 CA TYR A 93 -2.678 5.549 6.407 1.00 0.00 C ATOM 733 C TYR A 93 -2.758 4.340 5.474 1.00 0.00 C ATOM 734 O TYR A 93 -3.839 3.777 5.298 1.00 0.00 O ATOM 735 CB TYR A 93 -2.517 6.874 5.662 1.00 0.00 C ATOM 736 CG TYR A 93 -3.436 7.054 4.470 1.00 0.00 C ATOM 737 CD1 TYR A 93 -4.832 7.087 4.632 1.00 0.00 C ATOM 738 CD2 TYR A 93 -2.883 7.179 3.186 1.00 0.00 C ATOM 739 CE1 TYR A 93 -5.669 7.302 3.522 1.00 0.00 C ATOM 740 CE2 TYR A 93 -3.712 7.358 2.064 1.00 0.00 C ATOM 741 CZ TYR A 93 -5.110 7.450 2.233 1.00 0.00 C ATOM 742 OH TYR A 93 -5.905 7.699 1.155 1.00 0.00 O ATOM 0 H TYR A 93 -0.782 5.999 7.166 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.619 5.620 6.952 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.691 7.691 6.362 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.485 6.960 5.322 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.263 6.947 5.612 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.811 7.137 3.058 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.739 7.354 3.655 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.280 7.425 1.076 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.351 7.772 0.350 1.00 0.00 H new ATOM 752 N TYR A 94 -1.617 3.896 4.931 1.00 0.00 N ATOM 753 CA TYR A 94 -1.561 2.741 4.050 1.00 0.00 C ATOM 754 C TYR A 94 -2.177 1.539 4.765 1.00 0.00 C ATOM 755 O TYR A 94 -2.971 0.804 4.178 1.00 0.00 O ATOM 756 CB TYR A 94 -0.117 2.436 3.589 1.00 0.00 C ATOM 757 CG TYR A 94 -0.001 1.151 2.782 1.00 0.00 C ATOM 758 CD1 TYR A 94 -0.181 1.128 1.386 1.00 0.00 C ATOM 759 CD2 TYR A 94 0.234 -0.058 3.458 1.00 0.00 C ATOM 760 CE1 TYR A 94 -0.202 -0.090 0.687 1.00 0.00 C ATOM 761 CE2 TYR A 94 0.233 -1.277 2.762 1.00 0.00 C ATOM 762 CZ TYR A 94 -0.002 -1.303 1.378 1.00 0.00 C ATOM 763 OH TYR A 94 -0.004 -2.494 0.724 1.00 0.00 O ATOM 0 H TYR A 94 -0.710 4.334 5.095 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.133 2.961 3.149 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.248 3.269 2.988 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.529 2.367 4.464 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.304 2.056 0.847 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.417 -0.049 4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.371 -0.098 -0.380 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.414 -2.199 3.294 1.00 0.00 H new ATOM 0 HH TYR A 94 0.151 -3.219 1.365 1.00 0.00 H new ATOM 773 N ARG A 95 -1.838 1.344 6.043 1.00 0.00 N ATOM 774 CA ARG A 95 -2.355 0.229 6.837 1.00 0.00 C ATOM 775 C ARG A 95 -3.877 0.278 6.883 1.00 0.00 C ATOM 776 O ARG A 95 -4.504 -0.768 6.694 1.00 0.00 O ATOM 777 CB ARG A 95 -1.749 0.200 8.251 1.00 0.00 C ATOM 778 CG ARG A 95 -0.231 -0.038 8.290 1.00 0.00 C ATOM 779 CD ARG A 95 0.219 -1.369 7.683 1.00 0.00 C ATOM 780 NE ARG A 95 -0.349 -2.536 8.363 1.00 0.00 N ATOM 781 CZ ARG A 95 -0.034 -2.972 9.583 1.00 0.00 C ATOM 782 NH1 ARG A 95 0.867 -2.338 10.327 1.00 0.00 N ATOM 783 NH2 ARG A 95 -0.641 -4.047 10.050 1.00 0.00 N ATOM 0 H ARG A 95 -1.199 1.954 6.554 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.054 -0.699 6.351 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.968 1.146 8.746 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.242 -0.583 8.828 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.265 0.775 7.760 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.104 0.006 9.326 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.065 -1.396 6.631 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.307 -1.429 7.721 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.055 -3.067 7.853 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.330 -1.504 9.967 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.095 -2.686 11.258 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.337 -4.528 9.480 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.414 -4.397 10.981 1.00 0.00 H new ATOM 797 N HIS A 96 -4.468 1.455 7.118 1.00 0.00 N ATOM 798 CA HIS A 96 -5.917 1.601 7.160 1.00 0.00 C ATOM 799 C HIS A 96 -6.499 1.148 5.835 1.00 0.00 C ATOM 800 O HIS A 96 -7.433 0.349 5.835 1.00 0.00 O ATOM 801 CB HIS A 96 -6.335 3.059 7.465 1.00 0.00 C ATOM 802 CG HIS A 96 -7.832 3.318 7.449 1.00 0.00 C ATOM 803 ND1 HIS A 96 -8.684 3.163 6.383 1.00 0.00 N flip ATOM 804 CD2 HIS A 96 -8.580 3.838 8.485 1.00 0.00 C flip ATOM 805 CE1 HIS A 96 -9.967 3.519 6.798 1.00 0.00 C flip ATOM 806 NE2 HIS A 96 -9.852 3.951 8.061 1.00 0.00 N flip ATOM 0 H HIS A 96 -3.956 2.322 7.282 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.306 0.980 7.967 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -5.945 3.335 8.445 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.861 3.716 6.736 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.210 4.107 9.463 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.875 3.458 6.216 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.622 4.315 8.623 1.00 0.00 H new ATOM 814 N LYS A 97 -5.979 1.662 4.718 1.00 0.00 N ATOM 815 CA LYS A 97 -6.462 1.327 3.389 1.00 0.00 C ATOM 816 C LYS A 97 -6.468 -0.169 3.155 1.00 0.00 C ATOM 817 O LYS A 97 -7.439 -0.652 2.593 1.00 0.00 O ATOM 818 CB LYS A 97 -5.595 2.013 2.351 1.00 0.00 C ATOM 819 CG LYS A 97 -5.687 3.554 2.366 1.00 0.00 C ATOM 820 CD LYS A 97 -7.111 4.095 2.166 1.00 0.00 C ATOM 821 CE LYS A 97 -7.636 3.576 0.833 1.00 0.00 C ATOM 822 NZ LYS A 97 -8.920 4.164 0.424 1.00 0.00 N ATOM 0 H LYS A 97 -5.205 2.327 4.717 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.491 1.676 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.557 1.721 2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.879 1.653 1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.299 3.922 3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.044 3.954 1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.758 3.771 2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.108 5.185 2.175 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.894 3.776 0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.748 2.494 0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.010 4.116 -0.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.700 3.635 0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.960 5.157 0.729 1.00 0.00 H new ATOM 836 N VAL A 98 -5.434 -0.900 3.568 1.00 0.00 N ATOM 837 CA VAL A 98 -5.402 -2.346 3.378 1.00 0.00 C ATOM 838 C VAL A 98 -6.651 -2.954 4.008 1.00 0.00 C ATOM 839 O VAL A 98 -7.420 -3.624 3.322 1.00 0.00 O ATOM 840 CB VAL A 98 -4.106 -2.921 3.960 1.00 0.00 C ATOM 841 CG1 VAL A 98 -4.180 -4.451 4.014 1.00 0.00 C ATOM 842 CG2 VAL A 98 -2.916 -2.414 3.128 1.00 0.00 C ATOM 0 H VAL A 98 -4.612 -0.516 4.034 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.408 -2.596 2.317 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.967 -2.581 4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.253 -4.846 4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.017 -4.753 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.323 -4.844 3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.989 -2.818 3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.030 -2.739 2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.884 -1.325 3.165 1.00 0.00 H new ATOM 852 N SER A 99 -6.855 -2.698 5.299 1.00 0.00 N ATOM 853 CA SER A 99 -8.010 -3.192 6.025 1.00 0.00 C ATOM 854 C SER A 99 -9.301 -2.747 5.306 1.00 0.00 C ATOM 855 O SER A 99 -10.237 -3.523 5.167 1.00 0.00 O ATOM 856 CB SER A 99 -7.919 -2.652 7.463 1.00 0.00 C ATOM 857 OG SER A 99 -7.054 -3.429 8.284 1.00 0.00 O ATOM 0 H SER A 99 -6.218 -2.140 5.867 1.00 0.00 H new ATOM 0 HA SER A 99 -8.031 -4.281 6.060 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.563 -1.622 7.439 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.915 -2.635 7.905 1.00 0.00 H new ATOM 0 HG SER A 99 -7.028 -3.046 9.186 1.00 0.00 H new ATOM 863 N GLU A 100 -9.354 -1.516 4.802 1.00 0.00 N ATOM 864 CA GLU A 100 -10.484 -0.927 4.092 1.00 0.00 C ATOM 865 C GLU A 100 -10.854 -1.698 2.820 1.00 0.00 C ATOM 866 O GLU A 100 -12.017 -2.073 2.633 1.00 0.00 O ATOM 867 CB GLU A 100 -10.117 0.522 3.735 1.00 0.00 C ATOM 868 CG GLU A 100 -11.212 1.515 4.120 1.00 0.00 C ATOM 869 CD GLU A 100 -11.118 2.876 3.423 1.00 0.00 C ATOM 870 OE1 GLU A 100 -10.381 3.045 2.426 1.00 0.00 O ATOM 871 OE2 GLU A 100 -11.842 3.794 3.869 1.00 0.00 O ATOM 0 H GLU A 100 -8.569 -0.870 4.883 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.357 -0.968 4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.190 0.794 4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.928 0.592 2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.181 1.072 3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.179 1.671 5.198 1.00 0.00 H new ATOM 878 N PHE A 101 -9.878 -1.907 1.930 1.00 0.00 N ATOM 879 CA PHE A 101 -10.071 -2.613 0.675 1.00 0.00 C ATOM 880 C PHE A 101 -10.423 -4.070 0.936 1.00 0.00 C ATOM 881 O PHE A 101 -11.159 -4.667 0.152 1.00 0.00 O ATOM 882 CB PHE A 101 -8.819 -2.498 -0.208 1.00 0.00 C ATOM 883 CG PHE A 101 -8.714 -1.228 -1.035 1.00 0.00 C ATOM 884 CD1 PHE A 101 -9.380 -1.144 -2.271 1.00 0.00 C ATOM 885 CD2 PHE A 101 -7.878 -0.169 -0.634 1.00 0.00 C ATOM 886 CE1 PHE A 101 -9.200 -0.022 -3.098 1.00 0.00 C ATOM 887 CE2 PHE A 101 -7.718 0.959 -1.456 1.00 0.00 C ATOM 888 CZ PHE A 101 -8.380 1.038 -2.689 1.00 0.00 C ATOM 0 H PHE A 101 -8.921 -1.583 2.070 1.00 0.00 H new ATOM 0 HA PHE A 101 -10.902 -2.153 0.141 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.938 -2.569 0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.793 -3.353 -0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.032 -1.945 -2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.357 -0.224 0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.697 0.023 -4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.081 1.770 -1.136 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.259 1.908 -3.318 1.00 0.00 H new ATOM 898 N LYS A 102 -9.916 -4.638 2.032 1.00 0.00 N ATOM 899 CA LYS A 102 -10.203 -6.024 2.393 1.00 0.00 C ATOM 900 C LYS A 102 -11.658 -6.175 2.798 1.00 0.00 C ATOM 901 O LYS A 102 -12.317 -7.127 2.385 1.00 0.00 O ATOM 902 CB LYS A 102 -9.305 -6.435 3.550 1.00 0.00 C ATOM 903 CG LYS A 102 -7.961 -6.904 3.030 1.00 0.00 C ATOM 904 CD LYS A 102 -6.971 -7.069 4.166 1.00 0.00 C ATOM 905 CE LYS A 102 -6.902 -8.503 4.702 1.00 0.00 C ATOM 906 NZ LYS A 102 -8.213 -8.962 5.200 1.00 0.00 N ATOM 0 H LYS A 102 -9.301 -4.155 2.687 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.013 -6.664 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.167 -5.594 4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.780 -7.232 4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.080 -7.852 2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.575 -6.185 2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.981 -6.768 3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.245 -6.397 4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.558 -9.171 3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.168 -8.556 5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -8.087 -9.827 5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.638 -8.221 5.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.840 -9.162 4.394 1.00 0.00 H new ATOM 920 N GLU A 103 -12.169 -5.231 3.585 1.00 0.00 N ATOM 921 CA GLU A 103 -13.556 -5.254 4.036 1.00 0.00 C ATOM 922 C GLU A 103 -14.501 -5.091 2.851 1.00 0.00 C ATOM 923 O GLU A 103 -15.654 -5.507 2.939 1.00 0.00 O ATOM 924 CB GLU A 103 -13.818 -4.089 4.992 1.00 0.00 C ATOM 925 CG GLU A 103 -12.935 -4.115 6.238 1.00 0.00 C ATOM 926 CD GLU A 103 -13.650 -4.605 7.480 1.00 0.00 C ATOM 927 OE1 GLU A 103 -13.732 -5.841 7.630 1.00 0.00 O ATOM 928 OE2 GLU A 103 -13.935 -3.755 8.358 1.00 0.00 O ATOM 0 H GLU A 103 -11.635 -4.432 3.926 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.728 -6.208 4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.657 -3.150 4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.864 -4.107 5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.074 -4.755 6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.552 -3.111 6.422 1.00 0.00 H new ATOM 935 N GLY A 104 -14.017 -4.473 1.769 1.00 0.00 N ATOM 936 CA GLY A 104 -14.759 -4.213 0.549 1.00 0.00 C ATOM 937 C GLY A 104 -15.540 -2.902 0.647 1.00 0.00 C ATOM 938 O GLY A 104 -16.545 -2.736 -0.053 1.00 0.00 O ATOM 0 H GLY A 104 -13.058 -4.129 1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.071 -4.168 -0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.447 -5.036 0.356 1.00 0.00 H new ATOM 942 N LYS A 105 -15.132 -1.998 1.550 1.00 0.00 N ATOM 943 CA LYS A 105 -15.770 -0.698 1.770 1.00 0.00 C ATOM 944 C LYS A 105 -14.974 0.450 1.166 1.00 0.00 C ATOM 945 O LYS A 105 -15.521 1.539 1.017 1.00 0.00 O ATOM 946 CB LYS A 105 -15.992 -0.458 3.280 1.00 0.00 C ATOM 947 CG LYS A 105 -14.733 0.075 3.995 1.00 0.00 C ATOM 948 CD LYS A 105 -14.858 0.184 5.515 1.00 0.00 C ATOM 949 CE LYS A 105 -14.680 -1.203 6.139 1.00 0.00 C ATOM 950 NZ LYS A 105 -14.910 -1.247 7.596 1.00 0.00 N ATOM 0 H LYS A 105 -14.330 -2.157 2.160 1.00 0.00 H new ATOM 0 HA LYS A 105 -16.734 -0.724 1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -16.808 0.253 3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.302 -1.392 3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.894 -0.579 3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.493 1.059 3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.106 0.870 5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.832 0.593 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.365 -1.898 5.654 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.669 -1.555 5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.516 -2.128 7.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.445 -0.433 8.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.932 -1.211 7.787 1.00 0.00 H new ATOM 964 N ALA A 106 -13.686 0.242 0.888 1.00 0.00 N ATOM 965 CA ALA A 106 -12.844 1.280 0.331 1.00 0.00 C ATOM 966 C ALA A 106 -13.416 1.755 -0.994 1.00 0.00 C ATOM 967 O ALA A 106 -13.681 0.932 -1.875 1.00 0.00 O ATOM 968 CB ALA A 106 -11.430 0.758 0.086 1.00 0.00 C ATOM 0 H ALA A 106 -13.209 -0.646 1.044 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.809 2.103 1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -10.815 1.555 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.997 0.423 1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.467 -0.077 -0.613 1.00 0.00 H new ATOM 974 N GLN A 107 -13.620 3.063 -1.115 1.00 0.00 N ATOM 975 CA GLN A 107 -14.120 3.670 -2.332 1.00 0.00 C ATOM 976 C GLN A 107 -12.915 3.733 -3.273 1.00 0.00 C ATOM 977 O GLN A 107 -12.146 4.694 -3.260 1.00 0.00 O ATOM 978 CB GLN A 107 -14.777 5.031 -2.053 1.00 0.00 C ATOM 979 CG GLN A 107 -13.979 6.017 -1.179 1.00 0.00 C ATOM 980 CD GLN A 107 -13.751 7.342 -1.888 1.00 0.00 C ATOM 981 OE1 GLN A 107 -14.433 8.326 -1.616 1.00 0.00 O ATOM 982 NE2 GLN A 107 -12.792 7.401 -2.793 1.00 0.00 N ATOM 0 H GLN A 107 -13.441 3.730 -0.365 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.921 3.093 -2.794 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -14.982 5.513 -3.009 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -15.739 4.853 -1.573 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.515 6.191 -0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.018 5.575 -0.917 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.237 6.571 -3.003 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.605 8.276 -3.282 1.00 0.00 H new ATOM 991 N GLU A 108 -12.706 2.661 -4.031 1.00 0.00 N ATOM 992 CA GLU A 108 -11.613 2.523 -4.973 1.00 0.00 C ATOM 993 C GLU A 108 -11.697 3.591 -6.076 1.00 0.00 C ATOM 994 O GLU A 108 -12.776 4.155 -6.304 1.00 0.00 O ATOM 995 CB GLU A 108 -11.628 1.083 -5.515 1.00 0.00 C ATOM 996 CG GLU A 108 -12.779 0.726 -6.462 1.00 0.00 C ATOM 997 CD GLU A 108 -12.584 -0.695 -6.985 1.00 0.00 C ATOM 998 OE1 GLU A 108 -12.850 -1.665 -6.238 1.00 0.00 O ATOM 999 OE2 GLU A 108 -12.095 -0.871 -8.124 1.00 0.00 O ATOM 0 H GLU A 108 -13.314 1.843 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.655 2.694 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.688 0.904 -6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.658 0.399 -4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.732 0.805 -5.939 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.812 1.430 -7.294 1.00 0.00 H new ATOM 1006 N PRO A 109 -10.591 3.900 -6.766 1.00 0.00 N ATOM 1007 CA PRO A 109 -10.595 4.884 -7.835 1.00 0.00 C ATOM 1008 C PRO A 109 -11.246 4.300 -9.098 1.00 0.00 C ATOM 1009 O PRO A 109 -11.691 3.151 -9.138 1.00 0.00 O ATOM 1010 CB PRO A 109 -9.123 5.247 -8.042 1.00 0.00 C ATOM 1011 CG PRO A 109 -8.396 3.953 -7.696 1.00 0.00 C ATOM 1012 CD PRO A 109 -9.260 3.335 -6.595 1.00 0.00 C ATOM 0 HA PRO A 109 -11.180 5.772 -7.595 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.925 5.559 -9.068 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.815 6.068 -7.394 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.318 3.294 -8.561 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -7.381 4.145 -7.348 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.283 2.249 -6.681 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -8.861 3.569 -5.608 1.00 0.00 H new ATOM 1020 N SER A 110 -11.336 5.131 -10.127 1.00 0.00 N ATOM 1021 CA SER A 110 -11.883 4.845 -11.441 1.00 0.00 C ATOM 1022 C SER A 110 -11.233 5.866 -12.373 1.00 0.00 C ATOM 1023 O SER A 110 -10.135 6.364 -12.044 1.00 0.00 O ATOM 1024 CB SER A 110 -13.417 4.922 -11.371 1.00 0.00 C ATOM 1025 OG SER A 110 -14.012 4.128 -12.384 1.00 0.00 O ATOM 0 H SER A 110 -11.003 6.093 -10.057 1.00 0.00 H new ATOM 0 HA SER A 110 -11.669 3.843 -11.814 1.00 0.00 H new ATOM 0 HB2 SER A 110 -13.757 4.584 -10.392 1.00 0.00 H new ATOM 0 HB3 SER A 110 -13.738 5.958 -11.480 1.00 0.00 H new ATOM 0 HG SER A 110 -14.988 4.191 -12.318 1.00 0.00 H new TER 1031 SER A 110