USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 549 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -5.29! C(o=-5.3!,f=-8.9!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.29 K(o=-0.29,f=-1.1) USER MOD Single : A 21 ASN : amide:sc= 0.143 X(o=0.14,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -6.38! C(o=-6.4!,f=-13!) USER MOD Single : A 25 LYS NZ :NH3+ -142:sc= -0.45 (180deg=-1.51!) USER MOD Single : A 26 HIS : no HD1:sc= -0.706 X(o=-0.71,f=-0.38) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 51:sc= 0.12 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0397 USER MOD Single : A 45 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.3!) USER MOD Single : A 46 THR OG1 : rot 76:sc= 0.991 USER MOD Single : A 47 GLN : amide:sc=-0.00644 K(o=-0.0064,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.234 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0588 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.862 -19.374 2.174 1.00 0.00 N ATOM 2 CA GLY A 1 -11.203 -20.139 1.080 1.00 0.00 C ATOM 3 C GLY A 1 -10.624 -19.236 0.009 1.00 0.00 C ATOM 4 O GLY A 1 -9.434 -19.313 -0.300 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.241 -20.036 2.881 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.167 -18.746 2.626 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.639 -18.805 1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.408 -20.756 1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.927 -20.817 0.627 1.00 0.00 H new ATOM 10 N SER A 2 -11.466 -18.380 -0.559 1.00 0.00 N ATOM 11 CA SER A 2 -11.031 -17.460 -1.603 1.00 0.00 C ATOM 12 C SER A 2 -10.824 -16.057 -1.040 1.00 0.00 C ATOM 13 O SER A 2 -11.001 -15.826 0.156 1.00 0.00 O ATOM 14 CB SER A 2 -12.057 -17.420 -2.737 1.00 0.00 C ATOM 15 OG SER A 2 -12.056 -18.634 -3.469 1.00 0.00 O ATOM 0 H SER A 2 -12.453 -18.304 -0.314 1.00 0.00 H new ATOM 0 HA SER A 2 -10.080 -17.819 -1.995 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.051 -17.240 -2.326 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.833 -16.589 -3.405 1.00 0.00 H new ATOM 0 HG SER A 2 -12.721 -18.584 -4.187 1.00 0.00 H new ATOM 21 N GLU A 3 -10.448 -15.125 -1.910 1.00 0.00 N ATOM 22 CA GLU A 3 -10.217 -13.746 -1.499 1.00 0.00 C ATOM 23 C GLU A 3 -11.463 -12.895 -1.725 1.00 0.00 C ATOM 24 O GLU A 3 -12.342 -13.257 -2.506 1.00 0.00 O ATOM 25 CB GLU A 3 -9.035 -13.154 -2.269 1.00 0.00 C ATOM 26 CG GLU A 3 -7.696 -13.363 -1.581 1.00 0.00 C ATOM 27 CD GLU A 3 -6.570 -13.621 -2.565 1.00 0.00 C ATOM 28 OE1 GLU A 3 -6.500 -14.744 -3.105 1.00 0.00 O ATOM 29 OE2 GLU A 3 -5.759 -12.699 -2.792 1.00 0.00 O ATOM 0 H GLU A 3 -10.297 -15.300 -2.903 1.00 0.00 H new ATOM 0 HA GLU A 3 -9.986 -13.744 -0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -8.998 -13.602 -3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.200 -12.086 -2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.457 -12.483 -0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.772 -14.205 -0.893 1.00 0.00 H new ATOM 36 N GLY A 4 -11.532 -11.762 -1.033 1.00 0.00 N ATOM 37 CA GLY A 4 -12.674 -10.877 -1.171 1.00 0.00 C ATOM 38 C GLY A 4 -12.348 -9.629 -1.968 1.00 0.00 C ATOM 39 O GLY A 4 -11.197 -9.404 -2.338 1.00 0.00 O ATOM 0 H GLY A 4 -10.818 -11.441 -0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.488 -11.413 -1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.029 -10.590 -0.181 1.00 0.00 H new ATOM 43 N ALA A 5 -13.365 -8.816 -2.231 1.00 0.00 N ATOM 44 CA ALA A 5 -13.184 -7.583 -2.988 1.00 0.00 C ATOM 45 C ALA A 5 -14.254 -6.558 -2.631 1.00 0.00 C ATOM 46 O ALA A 5 -15.445 -6.868 -2.621 1.00 0.00 O ATOM 47 CB ALA A 5 -13.203 -7.874 -4.480 1.00 0.00 C ATOM 0 H ALA A 5 -14.324 -8.989 -1.931 1.00 0.00 H new ATOM 0 HA ALA A 5 -12.214 -7.161 -2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -13.067 -6.945 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -12.397 -8.565 -4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -14.159 -8.321 -4.751 1.00 0.00 H new ATOM 53 N ALA A 6 -13.822 -5.336 -2.340 1.00 0.00 N ATOM 54 CA ALA A 6 -14.745 -4.264 -1.984 1.00 0.00 C ATOM 55 C ALA A 6 -14.092 -2.897 -2.159 1.00 0.00 C ATOM 56 O ALA A 6 -12.910 -2.719 -1.864 1.00 0.00 O ATOM 57 CB ALA A 6 -15.229 -4.441 -0.553 1.00 0.00 C ATOM 0 H ALA A 6 -12.839 -5.063 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 6 -15.602 -4.316 -2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.917 -3.635 -0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -15.741 -5.399 -0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.376 -4.417 0.125 1.00 0.00 H new ATOM 63 N THR A 7 -14.870 -1.935 -2.642 1.00 0.00 N ATOM 64 CA THR A 7 -14.368 -0.582 -2.858 1.00 0.00 C ATOM 65 C THR A 7 -13.914 0.046 -1.543 1.00 0.00 C ATOM 66 O THR A 7 -14.729 0.330 -0.665 1.00 0.00 O ATOM 67 CB THR A 7 -15.447 0.287 -3.506 1.00 0.00 C ATOM 68 OG1 THR A 7 -16.250 -0.481 -4.382 1.00 0.00 O ATOM 69 CG2 THR A 7 -14.884 1.448 -4.298 1.00 0.00 C ATOM 0 H THR A 7 -15.850 -2.066 -2.891 1.00 0.00 H new ATOM 0 HA THR A 7 -13.509 -0.642 -3.527 1.00 0.00 H new ATOM 0 HB THR A 7 -16.035 0.684 -2.678 1.00 0.00 H new ATOM 0 HG1 THR A 7 -16.935 0.092 -4.785 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.702 2.024 -4.731 1.00 0.00 H new ATOM 0 HG22 THR A 7 -14.299 2.089 -3.638 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.245 1.069 -5.096 1.00 0.00 H new ATOM 77 N MET A 8 -12.609 0.263 -1.418 1.00 0.00 N ATOM 78 CA MET A 8 -12.047 0.859 -0.211 1.00 0.00 C ATOM 79 C MET A 8 -12.554 2.285 -0.023 1.00 0.00 C ATOM 80 O MET A 8 -13.258 2.822 -0.878 1.00 0.00 O ATOM 81 CB MET A 8 -10.519 0.853 -0.279 1.00 0.00 C ATOM 82 CG MET A 8 -9.914 -0.541 -0.267 1.00 0.00 C ATOM 83 SD MET A 8 -8.436 -0.666 -1.291 1.00 0.00 S ATOM 84 CE MET A 8 -7.260 -1.324 -0.111 1.00 0.00 C ATOM 0 H MET A 8 -11.921 0.036 -2.136 1.00 0.00 H new ATOM 0 HA MET A 8 -12.368 0.263 0.643 1.00 0.00 H new ATOM 0 HB2 MET A 8 -10.202 1.370 -1.185 1.00 0.00 H new ATOM 0 HB3 MET A 8 -10.124 1.418 0.565 1.00 0.00 H new ATOM 0 HG2 MET A 8 -9.665 -0.816 0.758 1.00 0.00 H new ATOM 0 HG3 MET A 8 -10.656 -1.258 -0.618 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.293 -1.457 -0.597 1.00 0.00 H new ATOM 0 HE2 MET A 8 -7.155 -0.630 0.723 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.616 -2.285 0.260 1.00 0.00 H new ATOM 94 N THR A 9 -12.190 2.895 1.101 1.00 0.00 N ATOM 95 CA THR A 9 -12.607 4.260 1.400 1.00 0.00 C ATOM 96 C THR A 9 -11.398 5.173 1.568 1.00 0.00 C ATOM 97 O THR A 9 -10.270 4.705 1.717 1.00 0.00 O ATOM 98 CB THR A 9 -13.464 4.287 2.667 1.00 0.00 C ATOM 99 OG1 THR A 9 -12.727 3.819 3.781 1.00 0.00 O ATOM 100 CG2 THR A 9 -14.718 3.447 2.559 1.00 0.00 C ATOM 0 H THR A 9 -11.607 2.465 1.819 1.00 0.00 H new ATOM 0 HA THR A 9 -13.200 4.625 0.562 1.00 0.00 H new ATOM 0 HB THR A 9 -13.755 5.329 2.797 1.00 0.00 H new ATOM 0 HG1 THR A 9 -13.292 3.846 4.581 1.00 0.00 H new ATOM 0 HG21 THR A 9 -15.280 3.510 3.491 1.00 0.00 H new ATOM 0 HG22 THR A 9 -15.334 3.816 1.739 1.00 0.00 H new ATOM 0 HG23 THR A 9 -14.445 2.409 2.369 1.00 0.00 H new ATOM 108 N GLU A 10 -11.642 6.480 1.542 1.00 0.00 N ATOM 109 CA GLU A 10 -10.572 7.460 1.689 1.00 0.00 C ATOM 110 C GLU A 10 -9.894 7.331 3.050 1.00 0.00 C ATOM 111 O GLU A 10 -8.694 7.571 3.181 1.00 0.00 O ATOM 112 CB GLU A 10 -11.124 8.877 1.515 1.00 0.00 C ATOM 113 CG GLU A 10 -11.601 9.173 0.102 1.00 0.00 C ATOM 114 CD GLU A 10 -10.456 9.318 -0.881 1.00 0.00 C ATOM 115 OE1 GLU A 10 -9.782 8.305 -1.162 1.00 0.00 O ATOM 116 OE2 GLU A 10 -10.233 10.445 -1.371 1.00 0.00 O ATOM 0 H GLU A 10 -12.571 6.884 1.421 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.829 7.267 0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.953 9.023 2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.351 9.596 1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.261 8.372 -0.230 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.190 10.090 0.106 1.00 0.00 H new ATOM 123 N ASP A 11 -10.669 6.950 4.061 1.00 0.00 N ATOM 124 CA ASP A 11 -10.140 6.789 5.409 1.00 0.00 C ATOM 125 C ASP A 11 -9.059 5.714 5.446 1.00 0.00 C ATOM 126 O ASP A 11 -8.129 5.781 6.250 1.00 0.00 O ATOM 127 CB ASP A 11 -11.264 6.433 6.384 1.00 0.00 C ATOM 128 CG ASP A 11 -11.040 7.019 7.765 1.00 0.00 C ATOM 129 OD1 ASP A 11 -10.539 8.160 7.850 1.00 0.00 O ATOM 130 OD2 ASP A 11 -11.367 6.338 8.759 1.00 0.00 O ATOM 0 H ASP A 11 -11.665 6.747 3.971 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.694 7.737 5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.213 6.795 5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.344 5.349 6.461 1.00 0.00 H new ATOM 135 N GLN A 12 -9.187 4.723 4.570 1.00 0.00 N ATOM 136 CA GLN A 12 -8.220 3.633 4.501 1.00 0.00 C ATOM 137 C GLN A 12 -6.948 4.081 3.788 1.00 0.00 C ATOM 138 O GLN A 12 -5.839 3.811 4.248 1.00 0.00 O ATOM 139 CB GLN A 12 -8.827 2.431 3.778 1.00 0.00 C ATOM 140 CG GLN A 12 -9.852 1.674 4.607 1.00 0.00 C ATOM 141 CD GLN A 12 -10.597 0.628 3.802 1.00 0.00 C ATOM 142 OE1 GLN A 12 -10.210 0.300 2.680 1.00 0.00 O ATOM 143 NE2 GLN A 12 -11.673 0.099 4.372 1.00 0.00 N ATOM 0 H GLN A 12 -9.951 4.652 3.898 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.962 3.343 5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.298 2.772 2.856 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.027 1.748 3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.350 1.192 5.446 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.567 2.381 5.027 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.957 0.401 5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.216 -0.609 3.878 1.00 0.00 H new ATOM 152 N VAL A 13 -7.118 4.765 2.662 1.00 0.00 N ATOM 153 CA VAL A 13 -5.984 5.250 1.884 1.00 0.00 C ATOM 154 C VAL A 13 -5.170 6.268 2.677 1.00 0.00 C ATOM 155 O VAL A 13 -3.954 6.369 2.511 1.00 0.00 O ATOM 156 CB VAL A 13 -6.443 5.897 0.563 1.00 0.00 C ATOM 157 CG1 VAL A 13 -5.246 6.247 -0.307 1.00 0.00 C ATOM 158 CG2 VAL A 13 -7.400 4.975 -0.181 1.00 0.00 C ATOM 0 H VAL A 13 -8.030 4.996 2.268 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.362 4.384 1.659 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.973 6.820 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.591 6.703 -1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.603 6.949 0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.684 5.341 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.713 5.449 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.898 4.034 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.275 4.781 0.440 1.00 0.00 H new ATOM 168 N GLU A 14 -5.848 7.018 3.539 1.00 0.00 N ATOM 169 CA GLU A 14 -5.187 8.028 4.358 1.00 0.00 C ATOM 170 C GLU A 14 -4.322 7.378 5.433 1.00 0.00 C ATOM 171 O GLU A 14 -3.166 7.755 5.626 1.00 0.00 O ATOM 172 CB GLU A 14 -6.224 8.945 5.008 1.00 0.00 C ATOM 173 CG GLU A 14 -6.860 9.929 4.039 1.00 0.00 C ATOM 174 CD GLU A 14 -7.893 10.815 4.704 1.00 0.00 C ATOM 175 OE1 GLU A 14 -8.814 10.273 5.350 1.00 0.00 O ATOM 176 OE2 GLU A 14 -7.783 12.053 4.577 1.00 0.00 O ATOM 0 H GLU A 14 -6.854 6.946 3.689 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.543 8.621 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.006 8.333 5.457 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.749 9.500 5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.083 10.552 3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.329 9.379 3.224 1.00 0.00 H new ATOM 183 N ILE A 15 -4.890 6.399 6.131 1.00 0.00 N ATOM 184 CA ILE A 15 -4.171 5.697 7.186 1.00 0.00 C ATOM 185 C ILE A 15 -3.130 4.745 6.605 1.00 0.00 C ATOM 186 O ILE A 15 -2.089 4.501 7.214 1.00 0.00 O ATOM 187 CB ILE A 15 -5.133 4.899 8.088 1.00 0.00 C ATOM 188 CG1 ILE A 15 -6.282 5.791 8.559 1.00 0.00 C ATOM 189 CG2 ILE A 15 -4.386 4.316 9.278 1.00 0.00 C ATOM 190 CD1 ILE A 15 -7.497 5.017 9.025 1.00 0.00 C ATOM 0 H ILE A 15 -5.846 6.075 5.984 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.670 6.457 7.785 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.550 4.075 7.508 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.930 6.423 9.374 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.574 6.454 7.744 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.080 3.756 9.904 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.599 3.650 8.923 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.943 5.124 9.860 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.272 5.714 9.344 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.875 4.405 8.206 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.220 4.374 9.861 1.00 0.00 H new ATOM 202 N LEU A 16 -3.419 4.213 5.422 1.00 0.00 N ATOM 203 CA LEU A 16 -2.507 3.290 4.757 1.00 0.00 C ATOM 204 C LEU A 16 -1.209 3.990 4.369 1.00 0.00 C ATOM 205 O LEU A 16 -0.135 3.388 4.398 1.00 0.00 O ATOM 206 CB LEU A 16 -3.170 2.693 3.513 1.00 0.00 C ATOM 207 CG LEU A 16 -4.077 1.491 3.777 1.00 0.00 C ATOM 208 CD1 LEU A 16 -4.903 1.165 2.543 1.00 0.00 C ATOM 209 CD2 LEU A 16 -3.253 0.286 4.204 1.00 0.00 C ATOM 0 H LEU A 16 -4.277 4.405 4.905 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.270 2.487 5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.756 3.471 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.390 2.394 2.813 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.759 1.745 4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.543 0.307 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.521 2.024 2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.238 0.930 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.915 -0.561 4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.547 0.030 3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.706 0.524 5.116 1.00 0.00 H new ATOM 221 N GLU A 17 -1.315 5.264 4.006 1.00 0.00 N ATOM 222 CA GLU A 17 -0.148 6.047 3.613 1.00 0.00 C ATOM 223 C GLU A 17 0.578 6.593 4.838 1.00 0.00 C ATOM 224 O GLU A 17 1.797 6.763 4.826 1.00 0.00 O ATOM 225 CB GLU A 17 -0.568 7.197 2.693 1.00 0.00 C ATOM 226 CG GLU A 17 -0.094 7.033 1.259 1.00 0.00 C ATOM 227 CD GLU A 17 0.341 8.344 0.635 1.00 0.00 C ATOM 228 OE1 GLU A 17 1.036 9.126 1.320 1.00 0.00 O ATOM 229 OE2 GLU A 17 -0.012 8.591 -0.537 1.00 0.00 O ATOM 0 H GLU A 17 -2.196 5.776 3.976 1.00 0.00 H new ATOM 0 HA GLU A 17 0.536 5.392 3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.655 7.279 2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.175 8.132 3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.738 6.329 1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.897 6.600 0.662 1.00 0.00 H new ATOM 236 N TYR A 18 -0.180 6.868 5.896 1.00 0.00 N ATOM 237 CA TYR A 18 0.393 7.396 7.128 1.00 0.00 C ATOM 238 C TYR A 18 1.360 6.396 7.752 1.00 0.00 C ATOM 239 O TYR A 18 2.347 6.780 8.379 1.00 0.00 O ATOM 240 CB TYR A 18 -0.717 7.740 8.123 1.00 0.00 C ATOM 241 CG TYR A 18 -0.245 8.578 9.291 1.00 0.00 C ATOM 242 CD1 TYR A 18 0.626 8.056 10.238 1.00 0.00 C ATOM 243 CD2 TYR A 18 -0.672 9.891 9.444 1.00 0.00 C ATOM 244 CE1 TYR A 18 1.060 8.819 11.306 1.00 0.00 C ATOM 245 CE2 TYR A 18 -0.244 10.661 10.509 1.00 0.00 C ATOM 246 CZ TYR A 18 0.622 10.120 11.437 1.00 0.00 C ATOM 247 OH TYR A 18 1.051 10.883 12.499 1.00 0.00 O ATOM 0 H TYR A 18 -1.191 6.734 5.924 1.00 0.00 H new ATOM 0 HA TYR A 18 0.947 8.302 6.883 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.510 8.275 7.600 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.153 6.816 8.502 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.970 7.037 10.139 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.350 10.317 8.719 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.738 8.399 12.034 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.585 11.680 10.614 1.00 0.00 H new ATOM 0 HH TYR A 18 0.651 11.776 12.443 1.00 0.00 H new ATOM 257 N ASN A 19 1.071 5.111 7.575 1.00 0.00 N ATOM 258 CA ASN A 19 1.919 4.057 8.120 1.00 0.00 C ATOM 259 C ASN A 19 2.920 3.561 7.077 1.00 0.00 C ATOM 260 O ASN A 19 3.454 2.459 7.193 1.00 0.00 O ATOM 261 CB ASN A 19 1.064 2.889 8.614 1.00 0.00 C ATOM 262 CG ASN A 19 0.312 3.222 9.887 1.00 0.00 C ATOM 263 OD1 ASN A 19 0.822 3.035 10.991 1.00 0.00 O ATOM 264 ND2 ASN A 19 -0.911 3.721 9.739 1.00 0.00 N ATOM 0 H ASN A 19 0.258 4.775 7.059 1.00 0.00 H new ATOM 0 HA ASN A 19 2.475 4.475 8.959 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.352 2.609 7.837 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.702 2.023 8.788 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.465 3.965 10.560 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.295 3.860 8.805 1.00 0.00 H new ATOM 271 N PHE A 20 3.167 4.380 6.058 1.00 0.00 N ATOM 272 CA PHE A 20 4.101 4.019 4.998 1.00 0.00 C ATOM 273 C PHE A 20 5.243 5.029 4.900 1.00 0.00 C ATOM 274 O PHE A 20 6.360 4.680 4.518 1.00 0.00 O ATOM 275 CB PHE A 20 3.371 3.928 3.657 1.00 0.00 C ATOM 276 CG PHE A 20 4.246 3.465 2.527 1.00 0.00 C ATOM 277 CD1 PHE A 20 4.465 2.113 2.312 1.00 0.00 C ATOM 278 CD2 PHE A 20 4.848 4.381 1.679 1.00 0.00 C ATOM 279 CE1 PHE A 20 5.268 1.684 1.274 1.00 0.00 C ATOM 280 CE2 PHE A 20 5.653 3.957 0.639 1.00 0.00 C ATOM 281 CZ PHE A 20 5.863 2.608 0.435 1.00 0.00 C ATOM 0 H PHE A 20 2.734 5.296 5.945 1.00 0.00 H new ATOM 0 HA PHE A 20 4.525 3.045 5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.528 3.244 3.757 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.959 4.907 3.410 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.002 1.387 2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.686 5.438 1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.431 0.628 1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.118 4.681 -0.014 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.491 2.275 -0.378 1.00 0.00 H new ATOM 291 N ASN A 21 4.955 6.282 5.241 1.00 0.00 N ATOM 292 CA ASN A 21 5.960 7.338 5.183 1.00 0.00 C ATOM 293 C ASN A 21 6.292 7.859 6.578 1.00 0.00 C ATOM 294 O ASN A 21 7.433 8.229 6.857 1.00 0.00 O ATOM 295 CB ASN A 21 5.469 8.488 4.303 1.00 0.00 C ATOM 296 CG ASN A 21 5.123 8.033 2.898 1.00 0.00 C ATOM 297 OD1 ASN A 21 5.947 8.113 1.986 1.00 0.00 O ATOM 298 ND2 ASN A 21 3.898 7.553 2.717 1.00 0.00 N ATOM 0 H ASN A 21 4.036 6.590 5.560 1.00 0.00 H new ATOM 0 HA ASN A 21 6.866 6.915 4.750 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.591 8.943 4.761 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.239 9.258 4.253 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.607 7.232 1.793 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.248 7.505 3.502 1.00 0.00 H new ATOM 305 N LYS A 22 5.291 7.892 7.451 1.00 0.00 N ATOM 306 CA LYS A 22 5.482 8.375 8.815 1.00 0.00 C ATOM 307 C LYS A 22 5.704 7.219 9.786 1.00 0.00 C ATOM 308 O LYS A 22 5.416 7.335 10.977 1.00 0.00 O ATOM 309 CB LYS A 22 4.274 9.202 9.258 1.00 0.00 C ATOM 310 CG LYS A 22 4.013 10.417 8.384 1.00 0.00 C ATOM 311 CD LYS A 22 2.897 10.158 7.385 1.00 0.00 C ATOM 312 CE LYS A 22 2.553 11.410 6.595 1.00 0.00 C ATOM 313 NZ LYS A 22 1.583 12.275 7.321 1.00 0.00 N ATOM 0 H LYS A 22 4.340 7.591 7.239 1.00 0.00 H new ATOM 0 HA LYS A 22 6.372 9.004 8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.389 8.566 9.255 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.427 9.531 10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.750 11.268 9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.925 10.685 7.850 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.198 9.366 6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.011 9.804 7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.464 11.975 6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.135 11.126 5.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.374 13.118 6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.704 11.745 7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.992 12.567 8.232 1.00 0.00 H new ATOM 327 N VAL A 23 6.220 6.106 9.274 1.00 0.00 N ATOM 328 CA VAL A 23 6.480 4.934 10.103 1.00 0.00 C ATOM 329 C VAL A 23 7.574 4.062 9.494 1.00 0.00 C ATOM 330 O VAL A 23 8.671 3.952 10.041 1.00 0.00 O ATOM 331 CB VAL A 23 5.208 4.084 10.298 1.00 0.00 C ATOM 332 CG1 VAL A 23 5.470 2.936 11.261 1.00 0.00 C ATOM 333 CG2 VAL A 23 4.059 4.949 10.793 1.00 0.00 C ATOM 0 H VAL A 23 6.466 5.991 8.291 1.00 0.00 H new ATOM 0 HA VAL A 23 6.810 5.303 11.074 1.00 0.00 H new ATOM 0 HB VAL A 23 4.928 3.661 9.333 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.560 2.349 11.384 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.260 2.300 10.862 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.778 3.335 12.227 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.170 4.332 10.925 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.330 5.403 11.746 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.852 5.732 10.063 1.00 0.00 H new ATOM 343 N ASN A 24 7.267 3.441 8.359 1.00 0.00 N ATOM 344 CA ASN A 24 8.223 2.576 7.680 1.00 0.00 C ATOM 345 C ASN A 24 7.646 2.049 6.369 1.00 0.00 C ATOM 346 O ASN A 24 6.546 2.428 5.969 1.00 0.00 O ATOM 347 CB ASN A 24 8.614 1.407 8.585 1.00 0.00 C ATOM 348 CG ASN A 24 7.411 0.597 9.030 1.00 0.00 C ATOM 349 OD1 ASN A 24 6.677 0.053 8.207 1.00 0.00 O ATOM 350 ND2 ASN A 24 7.204 0.518 10.339 1.00 0.00 N ATOM 0 H ASN A 24 6.364 3.521 7.891 1.00 0.00 H new ATOM 0 HA ASN A 24 9.112 3.165 7.453 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.311 0.758 8.055 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.137 1.788 9.462 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.409 -0.011 10.699 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.840 0.986 10.985 1.00 0.00 H new ATOM 357 N LYS A 25 8.396 1.175 5.706 1.00 0.00 N ATOM 358 CA LYS A 25 7.959 0.596 4.441 1.00 0.00 C ATOM 359 C LYS A 25 7.797 -0.916 4.559 1.00 0.00 C ATOM 360 O LYS A 25 6.865 -1.496 4.000 1.00 0.00 O ATOM 361 CB LYS A 25 8.958 0.930 3.331 1.00 0.00 C ATOM 362 CG LYS A 25 8.733 2.293 2.700 1.00 0.00 C ATOM 363 CD LYS A 25 9.086 3.417 3.661 1.00 0.00 C ATOM 364 CE LYS A 25 9.230 4.745 2.936 1.00 0.00 C ATOM 365 NZ LYS A 25 8.947 5.900 3.832 1.00 0.00 N ATOM 0 H LYS A 25 9.310 0.852 6.024 1.00 0.00 H new ATOM 0 HA LYS A 25 6.990 1.027 4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.968 0.890 3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.896 0.166 2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.337 2.381 1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.690 2.387 2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.313 3.500 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.017 3.179 4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.241 4.834 2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.549 4.770 2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.436 6.634 3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.364 5.583 4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.843 6.291 4.188 1.00 0.00 H new ATOM 379 N HIS A 26 8.708 -1.551 5.290 1.00 0.00 N ATOM 380 CA HIS A 26 8.665 -2.996 5.481 1.00 0.00 C ATOM 381 C HIS A 26 8.481 -3.347 6.956 1.00 0.00 C ATOM 382 O HIS A 26 9.394 -3.867 7.599 1.00 0.00 O ATOM 383 CB HIS A 26 9.945 -3.641 4.944 1.00 0.00 C ATOM 384 CG HIS A 26 9.817 -4.148 3.542 1.00 0.00 C ATOM 385 ND1 HIS A 26 10.717 -5.026 2.973 1.00 0.00 N ATOM 386 CD2 HIS A 26 8.885 -3.900 2.590 1.00 0.00 C ATOM 387 CE1 HIS A 26 10.345 -5.293 1.733 1.00 0.00 C ATOM 388 NE2 HIS A 26 9.237 -4.622 1.477 1.00 0.00 N ATOM 0 H HIS A 26 9.485 -1.087 5.760 1.00 0.00 H new ATOM 0 HA HIS A 26 7.811 -3.385 4.927 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.754 -2.912 4.986 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.227 -4.468 5.596 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.025 -3.254 2.689 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.860 -5.948 1.046 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.725 -4.638 0.595 1.00 0.00 H new ATOM 397 N PRO A 27 7.292 -3.063 7.515 1.00 0.00 N ATOM 398 CA PRO A 27 6.993 -3.349 8.921 1.00 0.00 C ATOM 399 C PRO A 27 6.762 -4.834 9.176 1.00 0.00 C ATOM 400 O PRO A 27 7.041 -5.673 8.319 1.00 0.00 O ATOM 401 CB PRO A 27 5.710 -2.557 9.173 1.00 0.00 C ATOM 402 CG PRO A 27 5.044 -2.483 7.843 1.00 0.00 C ATOM 403 CD PRO A 27 6.149 -2.440 6.820 1.00 0.00 C ATOM 0 HA PRO A 27 7.818 -3.075 9.579 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.075 -3.054 9.907 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.928 -1.563 9.562 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.399 -3.347 7.682 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.414 -1.597 7.772 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.881 -2.989 5.918 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.374 -1.418 6.516 1.00 0.00 H new ATOM 411 N ASP A 28 6.250 -5.151 10.361 1.00 0.00 N ATOM 412 CA ASP A 28 5.980 -6.536 10.734 1.00 0.00 C ATOM 413 C ASP A 28 4.490 -6.737 11.007 1.00 0.00 C ATOM 414 O ASP A 28 3.729 -5.772 11.069 1.00 0.00 O ATOM 415 CB ASP A 28 6.796 -6.926 11.970 1.00 0.00 C ATOM 416 CG ASP A 28 8.191 -6.328 11.960 1.00 0.00 C ATOM 417 OD1 ASP A 28 8.304 -5.085 12.011 1.00 0.00 O ATOM 418 OD2 ASP A 28 9.169 -7.102 11.902 1.00 0.00 O ATOM 0 H ASP A 28 6.013 -4.467 11.080 1.00 0.00 H new ATOM 0 HA ASP A 28 6.273 -7.177 9.902 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.270 -6.598 12.867 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.870 -8.012 12.024 1.00 0.00 H new ATOM 423 N PRO A 29 4.051 -7.998 11.176 1.00 0.00 N ATOM 424 CA PRO A 29 2.643 -8.311 11.443 1.00 0.00 C ATOM 425 C PRO A 29 2.084 -7.515 12.618 1.00 0.00 C ATOM 426 O PRO A 29 0.876 -7.299 12.714 1.00 0.00 O ATOM 427 CB PRO A 29 2.667 -9.806 11.769 1.00 0.00 C ATOM 428 CG PRO A 29 3.874 -10.323 11.068 1.00 0.00 C ATOM 429 CD PRO A 29 4.885 -9.212 11.120 1.00 0.00 C ATOM 0 HA PRO A 29 2.002 -8.056 10.599 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.729 -9.977 12.844 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.762 -10.303 11.419 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.254 -11.221 11.555 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.642 -10.593 10.038 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.531 -9.297 11.994 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.532 -9.215 10.243 1.00 0.00 H new ATOM 437 N THR A 30 2.968 -7.078 13.508 1.00 0.00 N ATOM 438 CA THR A 30 2.561 -6.303 14.674 1.00 0.00 C ATOM 439 C THR A 30 2.059 -4.924 14.260 1.00 0.00 C ATOM 440 O THR A 30 0.921 -4.554 14.549 1.00 0.00 O ATOM 441 CB THR A 30 3.728 -6.161 15.652 1.00 0.00 C ATOM 442 OG1 THR A 30 4.467 -7.367 15.729 1.00 0.00 O ATOM 443 CG2 THR A 30 3.293 -5.797 17.055 1.00 0.00 C ATOM 0 H THR A 30 3.972 -7.247 13.444 1.00 0.00 H new ATOM 0 HA THR A 30 1.747 -6.835 15.167 1.00 0.00 H new ATOM 0 HB THR A 30 4.338 -5.349 15.257 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.210 -7.256 16.358 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.170 -5.712 17.697 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.763 -4.844 17.036 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.632 -6.572 17.444 1.00 0.00 H new ATOM 451 N THR A 31 2.915 -4.168 13.580 1.00 0.00 N ATOM 452 CA THR A 31 2.558 -2.829 13.123 1.00 0.00 C ATOM 453 C THR A 31 1.392 -2.883 12.142 1.00 0.00 C ATOM 454 O THR A 31 0.510 -2.024 12.162 1.00 0.00 O ATOM 455 CB THR A 31 3.763 -2.155 12.465 1.00 0.00 C ATOM 456 OG1 THR A 31 4.889 -2.191 13.324 1.00 0.00 O ATOM 457 CG2 THR A 31 3.511 -0.709 12.097 1.00 0.00 C ATOM 0 H THR A 31 3.861 -4.459 13.333 1.00 0.00 H new ATOM 0 HA THR A 31 2.252 -2.244 13.991 1.00 0.00 H new ATOM 0 HB THR A 31 3.947 -2.719 11.551 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.650 -1.757 12.885 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.405 -0.290 11.635 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.679 -0.652 11.395 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.268 -0.142 12.996 1.00 0.00 H new ATOM 465 N LEU A 32 1.395 -3.897 11.283 1.00 0.00 N ATOM 466 CA LEU A 32 0.337 -4.063 10.293 1.00 0.00 C ATOM 467 C LEU A 32 -1.011 -4.286 10.970 1.00 0.00 C ATOM 468 O LEU A 32 -2.047 -3.839 10.476 1.00 0.00 O ATOM 469 CB LEU A 32 0.657 -5.238 9.367 1.00 0.00 C ATOM 470 CG LEU A 32 0.224 -5.052 7.911 1.00 0.00 C ATOM 471 CD1 LEU A 32 1.052 -3.965 7.244 1.00 0.00 C ATOM 472 CD2 LEU A 32 0.347 -6.363 7.149 1.00 0.00 C ATOM 0 H LEU A 32 2.118 -4.616 11.252 1.00 0.00 H new ATOM 0 HA LEU A 32 0.279 -3.149 9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.732 -5.417 9.390 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.176 -6.133 9.762 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.821 -4.743 7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.731 -3.846 6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.914 -3.024 7.777 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.105 -4.244 7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.035 -6.214 6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.383 -6.700 7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.289 -7.116 7.615 1.00 0.00 H new ATOM 484 N CYS A 33 -0.991 -4.979 12.104 1.00 0.00 N ATOM 485 CA CYS A 33 -2.212 -5.261 12.850 1.00 0.00 C ATOM 486 C CYS A 33 -2.886 -3.968 13.296 1.00 0.00 C ATOM 487 O CYS A 33 -4.113 -3.872 13.322 1.00 0.00 O ATOM 488 CB CYS A 33 -1.902 -6.136 14.065 1.00 0.00 C ATOM 489 SG CYS A 33 -3.222 -7.293 14.498 1.00 0.00 S ATOM 0 H CYS A 33 -0.142 -5.356 12.526 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.896 -5.797 12.192 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.989 -6.699 13.870 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.703 -5.492 14.922 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.575 -7.964 13.442 1.00 0.00 H new ATOM 495 N LEU A 34 -2.076 -2.975 13.649 1.00 0.00 N ATOM 496 CA LEU A 34 -2.595 -1.687 14.094 1.00 0.00 C ATOM 497 C LEU A 34 -3.247 -0.935 12.940 1.00 0.00 C ATOM 498 O LEU A 34 -4.195 -0.174 13.138 1.00 0.00 O ATOM 499 CB LEU A 34 -1.471 -0.842 14.699 1.00 0.00 C ATOM 500 CG LEU A 34 -0.939 -1.338 16.044 1.00 0.00 C ATOM 501 CD1 LEU A 34 0.393 -0.679 16.366 1.00 0.00 C ATOM 502 CD2 LEU A 34 -1.950 -1.068 17.148 1.00 0.00 C ATOM 0 H LEU A 34 -1.058 -3.038 13.635 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.352 -1.872 14.856 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.644 -0.804 13.990 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.831 0.179 14.823 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.782 -2.415 15.977 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.757 -1.044 17.327 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.117 -0.922 15.588 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.262 0.402 16.414 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.555 -1.427 18.098 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.138 0.004 17.215 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.882 -1.587 16.923 1.00 0.00 H new ATOM 514 N ILE A 35 -2.733 -1.151 11.734 1.00 0.00 N ATOM 515 CA ILE A 35 -3.265 -0.493 10.546 1.00 0.00 C ATOM 516 C ILE A 35 -4.577 -1.134 10.104 1.00 0.00 C ATOM 517 O ILE A 35 -5.510 -0.444 9.696 1.00 0.00 O ATOM 518 CB ILE A 35 -2.263 -0.545 9.378 1.00 0.00 C ATOM 519 CG1 ILE A 35 -0.879 -0.088 9.841 1.00 0.00 C ATOM 520 CG2 ILE A 35 -2.751 0.316 8.222 1.00 0.00 C ATOM 521 CD1 ILE A 35 0.239 -0.505 8.909 1.00 0.00 C ATOM 0 H ILE A 35 -1.948 -1.777 11.553 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.444 0.548 10.815 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.187 -1.576 9.032 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.877 0.998 9.935 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.684 -0.494 10.833 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.032 0.269 7.404 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.717 -0.052 7.877 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.854 1.349 8.556 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.191 -0.147 9.300 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.263 -1.592 8.834 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.068 -0.077 7.921 1.00 0.00 H new ATOM 533 N ALA A 36 -4.639 -2.460 10.187 1.00 0.00 N ATOM 534 CA ALA A 36 -5.835 -3.195 9.795 1.00 0.00 C ATOM 535 C ALA A 36 -6.990 -2.917 10.753 1.00 0.00 C ATOM 536 O ALA A 36 -8.156 -2.939 10.359 1.00 0.00 O ATOM 537 CB ALA A 36 -5.541 -4.687 9.736 1.00 0.00 C ATOM 0 H ALA A 36 -3.875 -3.046 10.522 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.132 -2.855 8.803 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.443 -5.224 9.442 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.753 -4.874 9.006 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.216 -5.033 10.717 1.00 0.00 H new ATOM 543 N ALA A 37 -6.658 -2.655 12.013 1.00 0.00 N ATOM 544 CA ALA A 37 -7.667 -2.373 13.026 1.00 0.00 C ATOM 545 C ALA A 37 -8.149 -0.928 12.935 1.00 0.00 C ATOM 546 O ALA A 37 -9.311 -0.632 13.214 1.00 0.00 O ATOM 547 CB ALA A 37 -7.114 -2.659 14.414 1.00 0.00 C ATOM 0 H ALA A 37 -5.698 -2.632 12.356 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.521 -3.025 12.844 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.878 -2.444 15.161 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.825 -3.708 14.482 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.242 -2.030 14.595 1.00 0.00 H new ATOM 553 N GLU A 38 -7.248 -0.033 12.543 1.00 0.00 N ATOM 554 CA GLU A 38 -7.582 1.380 12.414 1.00 0.00 C ATOM 555 C GLU A 38 -8.429 1.628 11.171 1.00 0.00 C ATOM 556 O GLU A 38 -9.575 2.070 11.265 1.00 0.00 O ATOM 557 CB GLU A 38 -6.306 2.223 12.355 1.00 0.00 C ATOM 558 CG GLU A 38 -6.354 3.463 13.231 1.00 0.00 C ATOM 559 CD GLU A 38 -5.012 3.790 13.855 1.00 0.00 C ATOM 560 OE1 GLU A 38 -3.999 3.780 13.124 1.00 0.00 O ATOM 561 OE2 GLU A 38 -4.973 4.055 15.075 1.00 0.00 O ATOM 0 H GLU A 38 -6.282 -0.261 12.309 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.162 1.673 13.289 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.459 1.607 12.658 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.127 2.524 11.323 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.689 4.312 12.635 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.091 3.317 14.020 1.00 0.00 H new ATOM 568 N ALA A 39 -7.859 1.342 10.006 1.00 0.00 N ATOM 569 CA ALA A 39 -8.561 1.534 8.743 1.00 0.00 C ATOM 570 C ALA A 39 -9.763 0.601 8.635 1.00 0.00 C ATOM 571 O ALA A 39 -10.774 0.942 8.021 1.00 0.00 O ATOM 572 CB ALA A 39 -7.610 1.315 7.573 1.00 0.00 C ATOM 0 H ALA A 39 -6.912 0.976 9.910 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.928 2.560 8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.147 1.461 6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.787 2.027 7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.215 0.300 7.610 1.00 0.00 H new ATOM 578 N GLY A 40 -9.645 -0.579 9.235 1.00 0.00 N ATOM 579 CA GLY A 40 -10.729 -1.543 9.195 1.00 0.00 C ATOM 580 C GLY A 40 -10.519 -2.608 8.136 1.00 0.00 C ATOM 581 O GLY A 40 -11.481 -3.171 7.613 1.00 0.00 O ATOM 0 H GLY A 40 -8.818 -0.885 9.748 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.824 -2.019 10.171 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.667 -1.023 9.002 1.00 0.00 H new ATOM 585 N LEU A 41 -9.259 -2.884 7.820 1.00 0.00 N ATOM 586 CA LEU A 41 -8.924 -3.889 6.817 1.00 0.00 C ATOM 587 C LEU A 41 -8.189 -5.066 7.449 1.00 0.00 C ATOM 588 O LEU A 41 -8.031 -5.128 8.669 1.00 0.00 O ATOM 589 CB LEU A 41 -8.064 -3.270 5.712 1.00 0.00 C ATOM 590 CG LEU A 41 -8.681 -2.058 5.013 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.647 -1.355 4.150 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.879 -2.480 4.175 1.00 0.00 C ATOM 0 H LEU A 41 -8.452 -2.426 8.244 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.854 -4.256 6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.106 -2.974 6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.856 -4.035 4.964 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.023 -1.358 5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.105 -0.495 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.820 -1.019 4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.273 -2.046 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.306 -1.605 3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.560 -3.199 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.630 -2.938 4.819 1.00 0.00 H new ATOM 604 N THR A 42 -7.741 -5.997 6.615 1.00 0.00 N ATOM 605 CA THR A 42 -7.022 -7.173 7.094 1.00 0.00 C ATOM 606 C THR A 42 -5.528 -7.049 6.812 1.00 0.00 C ATOM 607 O THR A 42 -5.115 -6.321 5.910 1.00 0.00 O ATOM 608 CB THR A 42 -7.575 -8.438 6.436 1.00 0.00 C ATOM 609 OG1 THR A 42 -7.298 -8.442 5.047 1.00 0.00 O ATOM 610 CG2 THR A 42 -9.070 -8.597 6.607 1.00 0.00 C ATOM 0 H THR A 42 -7.863 -5.961 5.603 1.00 0.00 H new ATOM 0 HA THR A 42 -7.165 -7.242 8.172 1.00 0.00 H new ATOM 0 HB THR A 42 -7.078 -9.267 6.940 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.658 -9.260 4.644 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.397 -9.514 6.117 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.311 -8.647 7.669 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.580 -7.744 6.159 1.00 0.00 H new ATOM 618 N GLU A 43 -4.724 -7.766 7.590 1.00 0.00 N ATOM 619 CA GLU A 43 -3.275 -7.737 7.425 1.00 0.00 C ATOM 620 C GLU A 43 -2.876 -8.198 6.025 1.00 0.00 C ATOM 621 O GLU A 43 -1.865 -7.755 5.481 1.00 0.00 O ATOM 622 CB GLU A 43 -2.603 -8.621 8.477 1.00 0.00 C ATOM 623 CG GLU A 43 -2.543 -7.986 9.856 1.00 0.00 C ATOM 624 CD GLU A 43 -2.835 -8.977 10.966 1.00 0.00 C ATOM 625 OE1 GLU A 43 -1.937 -9.778 11.299 1.00 0.00 O ATOM 626 OE2 GLU A 43 -3.962 -8.951 11.504 1.00 0.00 O ATOM 0 H GLU A 43 -5.051 -8.374 8.341 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.940 -6.708 7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.143 -9.566 8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.590 -8.855 8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.554 -7.554 10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.261 -7.167 9.907 1.00 0.00 H new ATOM 633 N GLU A 44 -3.677 -9.088 5.450 1.00 0.00 N ATOM 634 CA GLU A 44 -3.407 -9.608 4.115 1.00 0.00 C ATOM 635 C GLU A 44 -3.601 -8.525 3.058 1.00 0.00 C ATOM 636 O GLU A 44 -2.780 -8.373 2.153 1.00 0.00 O ATOM 637 CB GLU A 44 -4.319 -10.799 3.815 1.00 0.00 C ATOM 638 CG GLU A 44 -3.808 -11.690 2.695 1.00 0.00 C ATOM 639 CD GLU A 44 -3.145 -12.952 3.209 1.00 0.00 C ATOM 640 OE1 GLU A 44 -1.969 -12.880 3.621 1.00 0.00 O ATOM 641 OE2 GLU A 44 -3.803 -14.014 3.200 1.00 0.00 O ATOM 0 H GLU A 44 -4.518 -9.464 5.887 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.368 -9.937 4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.432 -11.396 4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.310 -10.430 3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.639 -11.960 2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.096 -11.131 2.088 1.00 0.00 H new ATOM 648 N GLN A 45 -4.692 -7.777 3.179 1.00 0.00 N ATOM 649 CA GLN A 45 -4.994 -6.708 2.234 1.00 0.00 C ATOM 650 C GLN A 45 -3.987 -5.568 2.359 1.00 0.00 C ATOM 651 O GLN A 45 -3.526 -5.021 1.357 1.00 0.00 O ATOM 652 CB GLN A 45 -6.411 -6.179 2.466 1.00 0.00 C ATOM 653 CG GLN A 45 -7.471 -6.896 1.646 1.00 0.00 C ATOM 654 CD GLN A 45 -8.709 -6.050 1.425 1.00 0.00 C ATOM 655 OE1 GLN A 45 -8.627 -4.827 1.310 1.00 0.00 O ATOM 656 NE2 GLN A 45 -9.866 -6.699 1.363 1.00 0.00 N ATOM 0 H GLN A 45 -5.382 -7.891 3.922 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.926 -7.119 1.227 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.656 -6.274 3.524 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.436 -5.116 2.227 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.050 -7.176 0.680 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.752 -7.820 2.151 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.888 -7.714 1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.733 -6.183 1.215 1.00 0.00 H new ATOM 665 N THR A 46 -3.649 -5.216 3.595 1.00 0.00 N ATOM 666 CA THR A 46 -2.697 -4.143 3.851 1.00 0.00 C ATOM 667 C THR A 46 -1.307 -4.513 3.344 1.00 0.00 C ATOM 668 O THR A 46 -0.532 -3.646 2.940 1.00 0.00 O ATOM 669 CB THR A 46 -2.640 -3.830 5.348 1.00 0.00 C ATOM 670 OG1 THR A 46 -3.939 -3.851 5.913 1.00 0.00 O ATOM 671 CG2 THR A 46 -2.026 -2.482 5.655 1.00 0.00 C ATOM 0 H THR A 46 -4.021 -5.659 4.435 1.00 0.00 H new ATOM 0 HA THR A 46 -3.035 -3.257 3.313 1.00 0.00 H new ATOM 0 HB THR A 46 -2.008 -4.605 5.782 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.233 -4.779 6.023 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.016 -2.324 6.733 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.005 -2.452 5.275 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.614 -1.697 5.178 1.00 0.00 H new ATOM 679 N GLN A 47 -0.998 -5.805 3.367 1.00 0.00 N ATOM 680 CA GLN A 47 0.300 -6.290 2.910 1.00 0.00 C ATOM 681 C GLN A 47 0.502 -5.989 1.428 1.00 0.00 C ATOM 682 O GLN A 47 1.577 -5.552 1.015 1.00 0.00 O ATOM 683 CB GLN A 47 0.423 -7.794 3.160 1.00 0.00 C ATOM 684 CG GLN A 47 1.803 -8.222 3.630 1.00 0.00 C ATOM 685 CD GLN A 47 1.797 -9.586 4.292 1.00 0.00 C ATOM 686 OE1 GLN A 47 0.784 -10.287 4.288 1.00 0.00 O ATOM 687 NE2 GLN A 47 2.930 -9.970 4.868 1.00 0.00 N ATOM 0 H GLN A 47 -1.629 -6.536 3.697 1.00 0.00 H new ATOM 0 HA GLN A 47 1.074 -5.771 3.476 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.314 -8.091 3.906 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.180 -8.328 2.241 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.484 -8.238 2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.189 -7.483 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.746 -9.358 4.848 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.985 -10.877 5.331 1.00 0.00 H new ATOM 696 N LYS A 48 -0.535 -6.228 0.633 1.00 0.00 N ATOM 697 CA LYS A 48 -0.470 -5.985 -0.803 1.00 0.00 C ATOM 698 C LYS A 48 -0.337 -4.493 -1.100 1.00 0.00 C ATOM 699 O LYS A 48 0.372 -4.096 -2.023 1.00 0.00 O ATOM 700 CB LYS A 48 -1.715 -6.544 -1.493 1.00 0.00 C ATOM 701 CG LYS A 48 -1.970 -8.011 -1.192 1.00 0.00 C ATOM 702 CD LYS A 48 -0.874 -8.896 -1.766 1.00 0.00 C ATOM 703 CE LYS A 48 -0.972 -10.317 -1.235 1.00 0.00 C ATOM 704 NZ LYS A 48 -0.397 -11.307 -2.188 1.00 0.00 N ATOM 0 H LYS A 48 -1.431 -6.590 0.959 1.00 0.00 H new ATOM 0 HA LYS A 48 0.412 -6.494 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.583 -5.962 -1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.612 -6.415 -2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.030 -8.157 -0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.933 -8.307 -1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.946 -8.907 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.101 -8.479 -1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.449 -10.385 -0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.017 -10.562 -1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.483 -12.264 -1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.912 -11.260 -3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.607 -11.089 -2.351 1.00 0.00 H new ATOM 718 N TRP A 49 -1.023 -3.675 -0.309 1.00 0.00 N ATOM 719 CA TRP A 49 -0.982 -2.228 -0.487 1.00 0.00 C ATOM 720 C TRP A 49 0.442 -1.701 -0.340 1.00 0.00 C ATOM 721 O TRP A 49 0.864 -0.811 -1.079 1.00 0.00 O ATOM 722 CB TRP A 49 -1.898 -1.543 0.528 1.00 0.00 C ATOM 723 CG TRP A 49 -2.151 -0.099 0.220 1.00 0.00 C ATOM 724 CD1 TRP A 49 -3.277 0.436 -0.337 1.00 0.00 C ATOM 725 CD2 TRP A 49 -1.257 0.997 0.450 1.00 0.00 C ATOM 726 NE1 TRP A 49 -3.138 1.797 -0.467 1.00 0.00 N ATOM 727 CE2 TRP A 49 -1.907 2.165 0.009 1.00 0.00 C ATOM 728 CE3 TRP A 49 0.028 1.103 0.987 1.00 0.00 C ATOM 729 CZ2 TRP A 49 -1.313 3.423 0.090 1.00 0.00 C ATOM 730 CZ3 TRP A 49 0.617 2.352 1.066 1.00 0.00 C ATOM 731 CH2 TRP A 49 -0.054 3.497 0.620 1.00 0.00 C ATOM 0 H TRP A 49 -1.614 -3.989 0.461 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.332 -2.001 -1.494 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -2.850 -2.072 0.562 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -1.453 -1.623 1.520 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -4.149 -0.128 -0.632 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.837 2.430 -0.855 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.552 0.225 1.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -1.828 4.308 -0.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 1.611 2.446 1.478 1.00 0.00 H new ATOM 0 HH2 TRP A 49 0.432 4.458 0.696 1.00 0.00 H new ATOM 742 N PHE A 50 1.177 -2.254 0.619 1.00 0.00 N ATOM 743 CA PHE A 50 2.554 -1.839 0.863 1.00 0.00 C ATOM 744 C PHE A 50 3.491 -2.397 -0.204 1.00 0.00 C ATOM 745 O PHE A 50 4.506 -1.785 -0.534 1.00 0.00 O ATOM 746 CB PHE A 50 3.009 -2.298 2.249 1.00 0.00 C ATOM 747 CG PHE A 50 2.652 -1.337 3.347 1.00 0.00 C ATOM 748 CD1 PHE A 50 1.331 -0.988 3.579 1.00 0.00 C ATOM 749 CD2 PHE A 50 3.639 -0.781 4.147 1.00 0.00 C ATOM 750 CE1 PHE A 50 1.000 -0.105 4.589 1.00 0.00 C ATOM 751 CE2 PHE A 50 3.313 0.103 5.158 1.00 0.00 C ATOM 752 CZ PHE A 50 1.993 0.442 5.379 1.00 0.00 C ATOM 0 H PHE A 50 0.842 -2.991 1.240 1.00 0.00 H new ATOM 0 HA PHE A 50 2.591 -0.751 0.818 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.562 -3.268 2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.090 -2.440 2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.551 -1.411 2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.673 -1.042 3.978 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.033 0.157 4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.091 0.529 5.775 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.737 1.134 6.168 1.00 0.00 H new ATOM 762 N LYS A 51 3.144 -3.564 -0.738 1.00 0.00 N ATOM 763 CA LYS A 51 3.957 -4.205 -1.766 1.00 0.00 C ATOM 764 C LYS A 51 3.802 -3.494 -3.107 1.00 0.00 C ATOM 765 O LYS A 51 4.770 -3.332 -3.850 1.00 0.00 O ATOM 766 CB LYS A 51 3.567 -5.678 -1.909 1.00 0.00 C ATOM 767 CG LYS A 51 4.508 -6.472 -2.801 1.00 0.00 C ATOM 768 CD LYS A 51 3.743 -7.330 -3.797 1.00 0.00 C ATOM 769 CE LYS A 51 4.550 -7.565 -5.064 1.00 0.00 C ATOM 770 NZ LYS A 51 3.674 -7.809 -6.243 1.00 0.00 N ATOM 0 H LYS A 51 2.307 -4.084 -0.476 1.00 0.00 H new ATOM 0 HA LYS A 51 5.001 -4.140 -1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.543 -6.137 -0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.557 -5.740 -2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.165 -5.788 -3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.144 -7.108 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.495 -8.288 -3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.801 -6.844 -4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.184 -6.700 -5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.211 -8.419 -4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.262 -7.965 -7.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.086 -8.650 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.061 -6.983 -6.396 1.00 0.00 H new ATOM 784 N GLN A 52 2.579 -3.073 -3.410 1.00 0.00 N ATOM 785 CA GLN A 52 2.298 -2.381 -4.663 1.00 0.00 C ATOM 786 C GLN A 52 2.796 -0.940 -4.614 1.00 0.00 C ATOM 787 O GLN A 52 3.295 -0.412 -5.607 1.00 0.00 O ATOM 788 CB GLN A 52 0.797 -2.406 -4.957 1.00 0.00 C ATOM 789 CG GLN A 52 0.364 -3.588 -5.810 1.00 0.00 C ATOM 790 CD GLN A 52 -1.144 -3.744 -5.865 1.00 0.00 C ATOM 791 OE1 GLN A 52 -1.840 -2.944 -6.491 1.00 0.00 O ATOM 792 NE2 GLN A 52 -1.657 -4.779 -5.210 1.00 0.00 N ATOM 0 H GLN A 52 1.767 -3.199 -2.806 1.00 0.00 H new ATOM 0 HA GLN A 52 2.827 -2.900 -5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.251 -2.430 -4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.519 -1.482 -5.463 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.750 -3.463 -6.822 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.806 -4.501 -5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.043 -5.417 -4.704 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.665 -4.936 -5.213 1.00 0.00 H new ATOM 801 N ARG A 53 2.653 -0.310 -3.453 1.00 0.00 N ATOM 802 CA ARG A 53 3.088 1.071 -3.275 1.00 0.00 C ATOM 803 C ARG A 53 4.608 1.178 -3.338 1.00 0.00 C ATOM 804 O ARG A 53 5.151 2.204 -3.750 1.00 0.00 O ATOM 805 CB ARG A 53 2.579 1.619 -1.940 1.00 0.00 C ATOM 806 CG ARG A 53 2.670 3.132 -1.830 1.00 0.00 C ATOM 807 CD ARG A 53 1.651 3.816 -2.726 1.00 0.00 C ATOM 808 NE ARG A 53 1.926 5.244 -2.873 1.00 0.00 N ATOM 809 CZ ARG A 53 2.957 5.734 -3.558 1.00 0.00 C ATOM 810 NH1 ARG A 53 3.813 4.916 -4.158 1.00 0.00 N ATOM 811 NH2 ARG A 53 3.133 7.045 -3.643 1.00 0.00 N ATOM 0 H ARG A 53 2.240 -0.733 -2.622 1.00 0.00 H new ATOM 0 HA ARG A 53 2.669 1.665 -4.087 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.541 1.315 -1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.152 1.169 -1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.507 3.433 -0.795 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.674 3.458 -2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.655 3.343 -3.708 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.653 3.679 -2.310 1.00 0.00 H new ATOM 0 HE ARG A 53 1.291 5.904 -2.424 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.683 3.906 -4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.601 5.297 -4.681 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.479 7.678 -3.184 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.923 7.421 -4.168 1.00 0.00 H new ATOM 825 N LEU A 54 5.290 0.114 -2.926 1.00 0.00 N ATOM 826 CA LEU A 54 6.749 0.090 -2.935 1.00 0.00 C ATOM 827 C LEU A 54 7.285 -0.028 -4.358 1.00 0.00 C ATOM 828 O LEU A 54 8.375 0.455 -4.663 1.00 0.00 O ATOM 829 CB LEU A 54 7.264 -1.073 -2.085 1.00 0.00 C ATOM 830 CG LEU A 54 7.538 -0.732 -0.619 1.00 0.00 C ATOM 831 CD1 LEU A 54 7.812 -1.996 0.181 1.00 0.00 C ATOM 832 CD2 LEU A 54 8.706 0.236 -0.506 1.00 0.00 C ATOM 0 H LEU A 54 4.856 -0.743 -2.582 1.00 0.00 H new ATOM 0 HA LEU A 54 7.105 1.029 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.535 -1.882 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.183 -1.451 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 54 6.652 -0.250 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.005 -1.734 1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.946 -2.655 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.682 -2.506 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.887 0.467 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.598 -0.219 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.471 1.154 -1.045 1.00 0.00 H new ATOM 844 N ALA A 55 6.512 -0.674 -5.227 1.00 0.00 N ATOM 845 CA ALA A 55 6.912 -0.856 -6.618 1.00 0.00 C ATOM 846 C ALA A 55 7.164 0.485 -7.300 1.00 0.00 C ATOM 847 O ALA A 55 7.984 0.582 -8.214 1.00 0.00 O ATOM 848 CB ALA A 55 5.850 -1.642 -7.372 1.00 0.00 C ATOM 0 H ALA A 55 5.606 -1.080 -4.992 1.00 0.00 H new ATOM 0 HA ALA A 55 7.845 -1.419 -6.630 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.160 -1.771 -8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.722 -2.620 -6.907 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.905 -1.099 -7.341 1.00 0.00 H new ATOM 854 N GLU A 56 6.456 1.517 -6.853 1.00 0.00 N ATOM 855 CA GLU A 56 6.604 2.851 -7.423 1.00 0.00 C ATOM 856 C GLU A 56 7.516 3.715 -6.559 1.00 0.00 C ATOM 857 O GLU A 56 8.216 4.593 -7.063 1.00 0.00 O ATOM 858 CB GLU A 56 5.237 3.519 -7.570 1.00 0.00 C ATOM 859 CG GLU A 56 4.395 2.941 -8.696 1.00 0.00 C ATOM 860 CD GLU A 56 3.286 3.877 -9.135 1.00 0.00 C ATOM 861 OE1 GLU A 56 2.382 4.151 -8.319 1.00 0.00 O ATOM 862 OE2 GLU A 56 3.324 4.338 -10.296 1.00 0.00 O ATOM 0 H GLU A 56 5.774 1.455 -6.097 1.00 0.00 H new ATOM 0 HA GLU A 56 7.059 2.749 -8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.691 3.420 -6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.380 4.585 -7.745 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.037 2.720 -9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.960 1.996 -8.371 1.00 0.00 H new ATOM 869 N TRP A 57 7.501 3.463 -5.254 1.00 0.00 N ATOM 870 CA TRP A 57 8.327 4.219 -4.320 1.00 0.00 C ATOM 871 C TRP A 57 9.807 4.068 -4.654 1.00 0.00 C ATOM 872 O TRP A 57 10.567 5.035 -4.601 1.00 0.00 O ATOM 873 CB TRP A 57 8.066 3.755 -2.886 1.00 0.00 C ATOM 874 CG TRP A 57 8.774 4.582 -1.856 1.00 0.00 C ATOM 875 CD1 TRP A 57 8.353 5.768 -1.326 1.00 0.00 C ATOM 876 CD2 TRP A 57 10.028 4.286 -1.232 1.00 0.00 C ATOM 877 NE1 TRP A 57 9.268 6.227 -0.411 1.00 0.00 N ATOM 878 CE2 TRP A 57 10.305 5.335 -0.334 1.00 0.00 C ATOM 879 CE3 TRP A 57 10.943 3.234 -1.343 1.00 0.00 C ATOM 880 CZ2 TRP A 57 11.460 5.362 0.445 1.00 0.00 C ATOM 881 CZ3 TRP A 57 12.087 3.263 -0.570 1.00 0.00 C ATOM 882 CH2 TRP A 57 12.336 4.320 0.315 1.00 0.00 C ATOM 0 H TRP A 57 6.926 2.741 -4.820 1.00 0.00 H new ATOM 0 HA TRP A 57 8.060 5.272 -4.409 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.994 3.785 -2.691 1.00 0.00 H new ATOM 0 HB3 TRP A 57 8.379 2.716 -2.785 1.00 0.00 H new ATOM 0 HD1 TRP A 57 7.434 6.272 -1.588 1.00 0.00 H new ATOM 0 HE1 TRP A 57 9.189 7.092 0.124 1.00 0.00 H new ATOM 0 HE3 TRP A 57 10.758 2.414 -2.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 11.656 6.176 1.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 12.802 2.457 -0.649 1.00 0.00 H new ATOM 0 HH2 TRP A 57 13.239 4.312 0.907 1.00 0.00 H new ATOM 893 N ARG A 58 10.209 2.848 -4.997 1.00 0.00 N ATOM 894 CA ARG A 58 11.600 2.570 -5.339 1.00 0.00 C ATOM 895 C ARG A 58 11.993 3.269 -6.636 1.00 0.00 C ATOM 896 O ARG A 58 13.136 3.695 -6.801 1.00 0.00 O ATOM 897 CB ARG A 58 11.823 1.063 -5.470 1.00 0.00 C ATOM 898 CG ARG A 58 11.664 0.308 -4.160 1.00 0.00 C ATOM 899 CD ARG A 58 11.975 -1.170 -4.329 1.00 0.00 C ATOM 900 NE ARG A 58 11.424 -1.973 -3.240 1.00 0.00 N ATOM 901 CZ ARG A 58 11.261 -3.293 -3.301 1.00 0.00 C ATOM 902 NH1 ARG A 58 11.607 -3.962 -4.393 1.00 0.00 N ATOM 903 NH2 ARG A 58 10.751 -3.946 -2.265 1.00 0.00 N ATOM 0 H ARG A 58 9.592 2.037 -5.046 1.00 0.00 H new ATOM 0 HA ARG A 58 12.229 2.955 -4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.118 0.662 -6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.824 0.885 -5.863 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.327 0.737 -3.409 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.645 0.427 -3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.569 -1.520 -5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.055 -1.311 -4.373 1.00 0.00 H new ATOM 0 HE ARG A 58 11.148 -1.494 -2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.000 -3.465 -5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.480 -4.973 -4.433 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.484 -3.437 -1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.626 -4.957 -2.311 1.00 0.00 H new ATOM 917 N ARG A 59 11.039 3.382 -7.554 1.00 0.00 N ATOM 918 CA ARG A 59 11.287 4.029 -8.838 1.00 0.00 C ATOM 919 C ARG A 59 11.477 5.531 -8.664 1.00 0.00 C ATOM 920 O ARG A 59 12.460 6.102 -9.137 1.00 0.00 O ATOM 921 CB ARG A 59 10.129 3.757 -9.801 1.00 0.00 C ATOM 922 CG ARG A 59 10.259 2.442 -10.551 1.00 0.00 C ATOM 923 CD ARG A 59 10.883 2.643 -11.923 1.00 0.00 C ATOM 924 NE ARG A 59 11.559 1.438 -12.398 1.00 0.00 N ATOM 925 CZ ARG A 59 10.924 0.348 -12.820 1.00 0.00 C ATOM 926 NH1 ARG A 59 9.596 0.308 -12.829 1.00 0.00 N ATOM 927 NH2 ARG A 59 11.615 -0.704 -13.235 1.00 0.00 N ATOM 0 H ARG A 59 10.088 3.034 -7.433 1.00 0.00 H new ATOM 0 HA ARG A 59 12.204 3.612 -9.255 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.194 3.755 -9.241 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.067 4.572 -10.522 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.869 1.750 -9.971 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.275 1.986 -10.661 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.109 2.929 -12.635 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.596 3.466 -11.880 1.00 0.00 H new ATOM 0 HE ARG A 59 12.579 1.432 -12.407 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.059 1.115 -12.512 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.113 -0.530 -13.153 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.635 -0.678 -13.231 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.127 -1.539 -13.558 1.00 0.00 H new ATOM 941 N SER A 60 10.532 6.168 -7.981 1.00 0.00 N ATOM 942 CA SER A 60 10.597 7.607 -7.744 1.00 0.00 C ATOM 943 C SER A 60 11.858 7.973 -6.969 1.00 0.00 C ATOM 944 O SER A 60 12.667 8.781 -7.426 1.00 0.00 O ATOM 945 CB SER A 60 9.359 8.075 -6.978 1.00 0.00 C ATOM 946 OG SER A 60 9.316 7.507 -5.681 1.00 0.00 O ATOM 0 H SER A 60 9.712 5.712 -7.582 1.00 0.00 H new ATOM 0 HA SER A 60 10.628 8.109 -8.711 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.364 9.162 -6.902 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.460 7.798 -7.529 1.00 0.00 H new ATOM 0 HG SER A 60 8.516 7.823 -5.212 1.00 0.00 H new ATOM 952 N GLU A 61 12.019 7.374 -5.794 1.00 0.00 N ATOM 953 CA GLU A 61 13.183 7.636 -4.955 1.00 0.00 C ATOM 954 C GLU A 61 14.454 7.094 -5.601 1.00 0.00 C ATOM 955 O GLU A 61 15.518 7.707 -5.512 1.00 0.00 O ATOM 956 CB GLU A 61 12.992 7.008 -3.573 1.00 0.00 C ATOM 957 CG GLU A 61 11.786 7.547 -2.821 1.00 0.00 C ATOM 958 CD GLU A 61 12.060 8.882 -2.159 1.00 0.00 C ATOM 959 OE1 GLU A 61 12.385 9.848 -2.883 1.00 0.00 O ATOM 960 OE2 GLU A 61 11.951 8.964 -0.918 1.00 0.00 O ATOM 0 H GLU A 61 11.358 6.704 -5.401 1.00 0.00 H new ATOM 0 HA GLU A 61 13.285 8.716 -4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.887 5.929 -3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.888 7.181 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.950 7.653 -3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.483 6.825 -2.063 1.00 0.00 H new ATOM 967 N GLY A 62 14.335 5.940 -6.250 1.00 0.00 N ATOM 968 CA GLY A 62 15.482 5.334 -6.900 1.00 0.00 C ATOM 969 C GLY A 62 16.322 4.512 -5.944 1.00 0.00 C ATOM 970 O GLY A 62 17.130 5.056 -5.191 1.00 0.00 O ATOM 0 H GLY A 62 13.465 5.414 -6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.139 4.698 -7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 62 16.100 6.115 -7.342 1.00 0.00 H new ATOM 974 N LEU A 63 16.132 3.196 -5.972 1.00 0.00 N ATOM 975 CA LEU A 63 16.878 2.297 -5.098 1.00 0.00 C ATOM 976 C LEU A 63 17.817 1.404 -5.909 1.00 0.00 C ATOM 977 O LEU A 63 17.492 1.000 -7.025 1.00 0.00 O ATOM 978 CB LEU A 63 15.913 1.436 -4.278 1.00 0.00 C ATOM 979 CG LEU A 63 15.962 1.670 -2.767 1.00 0.00 C ATOM 980 CD1 LEU A 63 15.188 2.925 -2.397 1.00 0.00 C ATOM 981 CD2 LEU A 63 15.412 0.462 -2.023 1.00 0.00 C ATOM 0 H LEU A 63 15.468 2.729 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 63 17.480 2.902 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.897 1.623 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 63 16.130 0.386 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 63 17.002 1.810 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.234 3.076 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.627 3.785 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.148 2.815 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.454 0.646 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.378 0.291 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.009 -0.417 -2.265 1.00 0.00 H new ATOM 993 N PRO A 64 19.001 1.083 -5.356 1.00 0.00 N ATOM 994 CA PRO A 64 19.984 0.233 -6.036 1.00 0.00 C ATOM 995 C PRO A 64 19.409 -1.128 -6.415 1.00 0.00 C ATOM 996 O PRO A 64 18.413 -1.572 -5.843 1.00 0.00 O ATOM 997 CB PRO A 64 21.102 0.068 -5.002 1.00 0.00 C ATOM 998 CG PRO A 64 20.946 1.225 -4.077 1.00 0.00 C ATOM 999 CD PRO A 64 19.473 1.519 -4.029 1.00 0.00 C ATOM 0 HA PRO A 64 20.318 0.676 -6.974 1.00 0.00 H new ATOM 0 HB2 PRO A 64 21.010 -0.878 -4.469 1.00 0.00 H new ATOM 0 HB3 PRO A 64 22.083 0.072 -5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 64 21.329 0.986 -3.085 1.00 0.00 H new ATOM 0 HG3 PRO A 64 21.505 2.089 -4.435 1.00 0.00 H new ATOM 0 HD2 PRO A 64 18.979 0.972 -3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 64 19.279 2.578 -3.860 1.00 0.00 H new ATOM 1007 N SER A 65 20.043 -1.786 -7.380 1.00 0.00 N ATOM 1008 CA SER A 65 19.596 -3.099 -7.835 1.00 0.00 C ATOM 1009 C SER A 65 18.147 -3.049 -8.307 1.00 0.00 C ATOM 1010 O SER A 65 17.218 -3.171 -7.508 1.00 0.00 O ATOM 1011 CB SER A 65 19.743 -4.126 -6.711 1.00 0.00 C ATOM 1012 OG SER A 65 20.719 -3.718 -5.769 1.00 0.00 O ATOM 0 H SER A 65 20.869 -1.432 -7.863 1.00 0.00 H new ATOM 0 HA SER A 65 20.222 -3.397 -8.676 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.784 -4.261 -6.210 1.00 0.00 H new ATOM 0 HB3 SER A 65 20.021 -5.092 -7.132 1.00 0.00 H new ATOM 0 HG SER A 65 20.792 -4.391 -5.061 1.00 0.00 H new ATOM 1018 N GLU A 66 17.961 -2.866 -9.610 1.00 0.00 N ATOM 1019 CA GLU A 66 16.624 -2.800 -10.192 1.00 0.00 C ATOM 1020 C GLU A 66 16.696 -2.545 -11.695 1.00 0.00 C ATOM 1021 O GLU A 66 15.891 -3.074 -12.463 1.00 0.00 O ATOM 1022 CB GLU A 66 15.799 -1.703 -9.513 1.00 0.00 C ATOM 1023 CG GLU A 66 14.455 -2.185 -8.994 1.00 0.00 C ATOM 1024 CD GLU A 66 13.491 -2.536 -10.111 1.00 0.00 C ATOM 1025 OE1 GLU A 66 13.611 -1.948 -11.206 1.00 0.00 O ATOM 1026 OE2 GLU A 66 12.616 -3.400 -9.890 1.00 0.00 O ATOM 0 H GLU A 66 18.719 -2.761 -10.284 1.00 0.00 H new ATOM 0 HA GLU A 66 16.137 -3.761 -10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.372 -1.290 -8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.635 -0.892 -10.222 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.606 -3.060 -8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.013 -1.411 -8.367 1.00 0.00 H new ATOM 1033 N CYS A 67 17.663 -1.731 -12.107 1.00 0.00 N ATOM 1034 CA CYS A 67 17.841 -1.403 -13.517 1.00 0.00 C ATOM 1035 C CYS A 67 16.650 -0.610 -14.045 1.00 0.00 C ATOM 1036 O CYS A 67 15.536 -0.730 -13.534 1.00 0.00 O ATOM 1037 CB CYS A 67 18.029 -2.679 -14.343 1.00 0.00 C ATOM 1038 SG CYS A 67 19.751 -3.037 -14.765 1.00 0.00 S ATOM 0 H CYS A 67 18.336 -1.286 -11.483 1.00 0.00 H new ATOM 0 HA CYS A 67 18.735 -0.786 -13.610 1.00 0.00 H new ATOM 0 HB2 CYS A 67 17.619 -3.523 -13.787 1.00 0.00 H new ATOM 0 HB3 CYS A 67 17.451 -2.592 -15.263 1.00 0.00 H new ATOM 0 HG CYS A 67 19.808 -4.134 -15.460 1.00 0.00 H new ATOM 1044 N ARG A 68 16.893 0.202 -15.069 1.00 0.00 N ATOM 1045 CA ARG A 68 15.840 1.018 -15.666 1.00 0.00 C ATOM 1046 C ARG A 68 14.708 0.145 -16.197 1.00 0.00 C ATOM 1047 O ARG A 68 13.646 0.045 -15.581 1.00 0.00 O ATOM 1048 CB ARG A 68 16.412 1.877 -16.795 1.00 0.00 C ATOM 1049 CG ARG A 68 16.889 3.246 -16.336 1.00 0.00 C ATOM 1050 CD ARG A 68 18.373 3.239 -16.010 1.00 0.00 C ATOM 1051 NE ARG A 68 19.038 4.461 -16.456 1.00 0.00 N ATOM 1052 CZ ARG A 68 18.949 5.629 -15.822 1.00 0.00 C ATOM 1053 NH1 ARG A 68 18.226 5.737 -14.715 1.00 0.00 N ATOM 1054 NH2 ARG A 68 19.584 6.691 -16.299 1.00 0.00 N ATOM 0 H ARG A 68 17.809 0.313 -15.503 1.00 0.00 H new ATOM 0 HA ARG A 68 15.436 1.670 -14.891 1.00 0.00 H new ATOM 0 HB2 ARG A 68 17.245 1.347 -17.257 1.00 0.00 H new ATOM 0 HB3 ARG A 68 15.650 2.006 -17.564 1.00 0.00 H new ATOM 0 HG2 ARG A 68 16.690 3.982 -17.115 1.00 0.00 H new ATOM 0 HG3 ARG A 68 16.324 3.553 -15.456 1.00 0.00 H new ATOM 0 HD2 ARG A 68 18.507 3.125 -14.934 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.844 2.377 -16.483 1.00 0.00 H new ATOM 0 HE ARG A 68 19.604 4.417 -17.303 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.735 4.923 -14.345 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.161 6.634 -14.234 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.140 6.613 -17.151 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.516 7.586 -15.814 1.00 0.00 H new ATOM 1068 N SER A 69 14.938 -0.485 -17.345 1.00 0.00 N ATOM 1069 CA SER A 69 13.935 -1.347 -17.959 1.00 0.00 C ATOM 1070 C SER A 69 14.331 -2.815 -17.838 1.00 0.00 C ATOM 1071 O SER A 69 15.431 -3.138 -17.392 1.00 0.00 O ATOM 1072 CB SER A 69 13.747 -0.978 -19.432 1.00 0.00 C ATOM 1073 OG SER A 69 12.390 -1.102 -19.819 1.00 0.00 O ATOM 0 H SER A 69 15.811 -0.414 -17.869 1.00 0.00 H new ATOM 0 HA SER A 69 12.993 -1.198 -17.431 1.00 0.00 H new ATOM 0 HB2 SER A 69 14.084 0.045 -19.600 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.366 -1.624 -20.054 1.00 0.00 H new ATOM 0 HG SER A 69 12.296 -0.859 -20.764 1.00 0.00 H new ATOM 1079 N VAL A 70 13.425 -3.701 -18.239 1.00 0.00 N ATOM 1080 CA VAL A 70 13.677 -5.135 -18.177 1.00 0.00 C ATOM 1081 C VAL A 70 13.952 -5.583 -16.745 1.00 0.00 C ATOM 1082 O VAL A 70 15.098 -5.596 -16.297 1.00 0.00 O ATOM 1083 CB VAL A 70 14.870 -5.536 -19.066 1.00 0.00 C ATOM 1084 CG1 VAL A 70 15.020 -7.049 -19.114 1.00 0.00 C ATOM 1085 CG2 VAL A 70 14.708 -4.966 -20.469 1.00 0.00 C ATOM 0 H VAL A 70 12.509 -3.450 -18.611 1.00 0.00 H new ATOM 0 HA VAL A 70 12.778 -5.630 -18.544 1.00 0.00 H new ATOM 0 HB VAL A 70 15.777 -5.118 -18.630 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.868 -7.311 -19.747 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.188 -7.430 -18.107 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.112 -7.492 -19.523 1.00 0.00 H new ATOM 0 HG21 VAL A 70 15.560 -5.260 -21.082 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.791 -5.351 -20.914 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.657 -3.878 -20.416 1.00 0.00 H new ATOM 1095 N THR A 71 12.892 -5.950 -16.031 1.00 0.00 N ATOM 1096 CA THR A 71 13.018 -6.399 -14.649 1.00 0.00 C ATOM 1097 C THR A 71 12.461 -7.810 -14.484 1.00 0.00 C ATOM 1098 O THR A 71 11.939 -8.161 -13.426 1.00 0.00 O ATOM 1099 CB THR A 71 12.289 -5.437 -13.710 1.00 0.00 C ATOM 1100 OG1 THR A 71 12.615 -4.093 -14.017 1.00 0.00 O ATOM 1101 CG2 THR A 71 12.612 -5.665 -12.250 1.00 0.00 C ATOM 0 H THR A 71 11.936 -5.945 -16.387 1.00 0.00 H new ATOM 0 HA THR A 71 14.077 -6.413 -14.392 1.00 0.00 H new ATOM 0 HB THR A 71 11.228 -5.632 -13.865 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.138 -3.493 -13.407 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.062 -4.949 -11.639 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.326 -6.678 -11.968 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.682 -5.532 -12.089 1.00 0.00 H new ATOM 1109 N ASP A 72 12.575 -8.613 -15.536 1.00 0.00 N ATOM 1110 CA ASP A 72 12.083 -9.985 -15.508 1.00 0.00 C ATOM 1111 C ASP A 72 13.189 -10.968 -15.879 1.00 0.00 C ATOM 1112 O ASP A 72 14.252 -10.510 -16.351 1.00 0.00 O ATOM 1113 CB ASP A 72 10.900 -10.146 -16.465 1.00 0.00 C ATOM 1114 CG ASP A 72 9.568 -9.892 -15.786 1.00 0.00 C ATOM 1115 OD1 ASP A 72 9.361 -10.416 -14.671 1.00 0.00 O ATOM 1116 OD2 ASP A 72 8.733 -9.169 -16.370 1.00 0.00 O ATOM 1117 OXT ASP A 72 12.984 -12.186 -15.696 1.00 0.00 O ATOM 0 H ASP A 72 13.004 -8.337 -16.419 1.00 0.00 H new ATOM 0 HA ASP A 72 11.752 -10.204 -14.493 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.016 -9.456 -17.301 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.907 -11.154 -16.880 1.00 0.00 H new TER 1122 ASP A 72