USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 486 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.491 K(o=-0.49,f=-1.1) USER MOD Single : A 35 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.31) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 45:sc= -0.401 USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.00491 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.62) USER MOD Single : A 64 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.23) USER MOD Single : A 65 HIS : no HD1:sc= -0.728 K(o=-0.73,f=-3.5!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 67 THR OG1 : rot -14:sc= 0.146 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 58:sc= 0.0625 USER MOD Single : A 74 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -30.417 -21.666 -26.652 1.00 0.00 N ATOM 2 CA MET A 1 -31.118 -20.700 -25.823 1.00 0.00 C ATOM 3 C MET A 1 -30.168 -20.053 -24.813 1.00 0.00 C ATOM 4 O MET A 1 -30.066 -20.505 -23.674 1.00 0.00 O ATOM 5 CB MET A 1 -32.258 -21.398 -25.078 1.00 0.00 C ATOM 6 CG MET A 1 -33.575 -20.640 -25.257 1.00 0.00 C ATOM 7 SD MET A 1 -34.947 -21.683 -24.791 1.00 0.00 S ATOM 8 CE MET A 1 -36.252 -20.918 -25.738 1.00 0.00 C ATOM 0 H1 MET A 1 -31.083 -22.091 -27.329 1.00 0.00 H new ATOM 0 H2 MET A 1 -29.653 -21.188 -27.171 1.00 0.00 H new ATOM 0 H3 MET A 1 -30.013 -22.411 -26.050 1.00 0.00 H new ATOM 0 HA MET A 1 -31.519 -19.919 -26.468 1.00 0.00 H new ATOM 0 HB2 MET A 1 -32.368 -22.418 -25.447 1.00 0.00 H new ATOM 0 HB3 MET A 1 -32.015 -21.467 -24.018 1.00 0.00 H new ATOM 0 HG2 MET A 1 -33.570 -19.737 -24.647 1.00 0.00 H new ATOM 0 HG3 MET A 1 -33.684 -20.323 -26.294 1.00 0.00 H new ATOM 0 HE1 MET A 1 -37.188 -21.449 -25.563 1.00 0.00 H new ATOM 0 HE2 MET A 1 -36.362 -19.878 -25.432 1.00 0.00 H new ATOM 0 HE3 MET A 1 -36.004 -20.960 -26.799 1.00 0.00 H new ATOM 18 N GLU A 2 -29.497 -19.005 -25.268 1.00 0.00 N ATOM 19 CA GLU A 2 -28.559 -18.291 -24.418 1.00 0.00 C ATOM 20 C GLU A 2 -28.316 -16.882 -24.962 1.00 0.00 C ATOM 21 O GLU A 2 -27.660 -16.714 -25.989 1.00 0.00 O ATOM 22 CB GLU A 2 -27.245 -19.062 -24.284 1.00 0.00 C ATOM 23 CG GLU A 2 -26.743 -19.044 -22.839 1.00 0.00 C ATOM 24 CD GLU A 2 -26.252 -20.428 -22.412 1.00 0.00 C ATOM 25 OE1 GLU A 2 -26.894 -21.440 -22.731 1.00 0.00 O ATOM 26 OE2 GLU A 2 -25.160 -20.431 -21.725 1.00 0.00 O ATOM 0 H GLU A 2 -29.584 -18.633 -26.214 1.00 0.00 H new ATOM 0 HA GLU A 2 -28.994 -18.204 -23.422 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -27.389 -20.092 -24.610 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -26.493 -18.623 -24.939 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -25.934 -18.321 -22.740 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -27.544 -18.718 -22.176 1.00 0.00 H new ATOM 34 N VAL A 3 -28.859 -15.905 -24.250 1.00 0.00 N ATOM 35 CA VAL A 3 -28.709 -14.516 -24.649 1.00 0.00 C ATOM 36 C VAL A 3 -28.070 -13.727 -23.505 1.00 0.00 C ATOM 37 O VAL A 3 -28.114 -14.153 -22.352 1.00 0.00 O ATOM 38 CB VAL A 3 -30.062 -13.948 -25.084 1.00 0.00 C ATOM 39 CG1 VAL A 3 -29.909 -12.528 -25.634 1.00 0.00 C ATOM 40 CG2 VAL A 3 -30.737 -14.862 -26.108 1.00 0.00 C ATOM 0 H VAL A 3 -29.403 -16.048 -23.399 1.00 0.00 H new ATOM 0 HA VAL A 3 -28.045 -14.436 -25.510 1.00 0.00 H new ATOM 0 HB VAL A 3 -30.703 -13.900 -24.204 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -30.885 -12.148 -25.936 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -29.491 -11.882 -24.862 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -29.242 -12.542 -26.496 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -31.696 -14.435 -26.400 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -30.099 -14.957 -26.987 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -30.897 -15.846 -25.668 1.00 0.00 H new ATOM 50 N ALA A 4 -27.489 -12.592 -23.863 1.00 0.00 N ATOM 51 CA ALA A 4 -26.842 -11.739 -22.881 1.00 0.00 C ATOM 52 C ALA A 4 -27.709 -11.668 -21.623 1.00 0.00 C ATOM 53 O ALA A 4 -28.845 -11.198 -21.674 1.00 0.00 O ATOM 54 CB ALA A 4 -26.584 -10.360 -23.491 1.00 0.00 C ATOM 0 H ALA A 4 -27.453 -12.243 -24.821 1.00 0.00 H new ATOM 0 HA ALA A 4 -25.876 -12.152 -22.592 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -26.099 -9.721 -22.753 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -25.938 -10.463 -24.363 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -27.531 -9.912 -23.792 1.00 0.00 H new ATOM 60 N MET A 5 -27.142 -12.140 -20.523 1.00 0.00 N ATOM 61 CA MET A 5 -27.849 -12.136 -19.254 1.00 0.00 C ATOM 62 C MET A 5 -27.705 -10.785 -18.551 1.00 0.00 C ATOM 63 O MET A 5 -26.599 -10.382 -18.194 1.00 0.00 O ATOM 64 CB MET A 5 -27.293 -13.242 -18.355 1.00 0.00 C ATOM 65 CG MET A 5 -27.882 -14.603 -18.731 1.00 0.00 C ATOM 66 SD MET A 5 -27.973 -15.648 -17.287 1.00 0.00 S ATOM 67 CE MET A 5 -29.425 -16.606 -17.689 1.00 0.00 C ATOM 0 H MET A 5 -26.200 -12.528 -20.484 1.00 0.00 H new ATOM 0 HA MET A 5 -28.907 -12.312 -19.448 1.00 0.00 H new ATOM 0 HB2 MET A 5 -26.207 -13.275 -18.443 1.00 0.00 H new ATOM 0 HB3 MET A 5 -27.522 -13.018 -17.313 1.00 0.00 H new ATOM 0 HG2 MET A 5 -28.876 -14.473 -19.159 1.00 0.00 H new ATOM 0 HG3 MET A 5 -27.266 -15.077 -19.495 1.00 0.00 H new ATOM 0 HE1 MET A 5 -29.627 -17.315 -16.886 1.00 0.00 H new ATOM 0 HE2 MET A 5 -30.279 -15.939 -17.808 1.00 0.00 H new ATOM 0 HE3 MET A 5 -29.257 -17.149 -18.619 1.00 0.00 H new ATOM 77 N VAL A 6 -28.839 -10.122 -18.373 1.00 0.00 N ATOM 78 CA VAL A 6 -28.853 -8.825 -17.719 1.00 0.00 C ATOM 79 C VAL A 6 -29.374 -8.985 -16.289 1.00 0.00 C ATOM 80 O VAL A 6 -29.502 -10.103 -15.793 1.00 0.00 O ATOM 81 CB VAL A 6 -29.671 -7.831 -18.546 1.00 0.00 C ATOM 82 CG1 VAL A 6 -31.164 -7.958 -18.235 1.00 0.00 C ATOM 83 CG2 VAL A 6 -29.183 -6.398 -18.320 1.00 0.00 C ATOM 0 H VAL A 6 -29.754 -10.459 -18.671 1.00 0.00 H new ATOM 0 HA VAL A 6 -27.843 -8.419 -17.653 1.00 0.00 H new ATOM 0 HB VAL A 6 -29.527 -8.072 -19.599 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -31.723 -7.241 -18.836 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -31.500 -8.968 -18.470 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -31.334 -7.756 -17.177 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -29.781 -5.711 -18.919 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -29.284 -6.141 -17.265 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -28.136 -6.319 -18.614 1.00 0.00 H new ATOM 93 N SER A 7 -29.660 -7.851 -15.667 1.00 0.00 N ATOM 94 CA SER A 7 -30.165 -7.851 -14.305 1.00 0.00 C ATOM 95 C SER A 7 -31.184 -6.725 -14.124 1.00 0.00 C ATOM 96 O SER A 7 -30.942 -5.591 -14.534 1.00 0.00 O ATOM 97 CB SER A 7 -29.024 -7.702 -13.295 1.00 0.00 C ATOM 98 OG SER A 7 -28.685 -8.944 -12.686 1.00 0.00 O ATOM 0 H SER A 7 -29.552 -6.925 -16.082 1.00 0.00 H new ATOM 0 HA SER A 7 -30.655 -8.808 -14.122 1.00 0.00 H new ATOM 0 HB2 SER A 7 -28.147 -7.293 -13.797 1.00 0.00 H new ATOM 0 HB3 SER A 7 -29.313 -6.987 -12.524 1.00 0.00 H new ATOM 0 HG SER A 7 -27.952 -8.807 -12.050 1.00 0.00 H new ATOM 104 N ALA A 8 -32.304 -7.077 -13.509 1.00 0.00 N ATOM 105 CA ALA A 8 -33.362 -6.110 -13.269 1.00 0.00 C ATOM 106 C ALA A 8 -33.050 -5.326 -11.993 1.00 0.00 C ATOM 107 O ALA A 8 -33.201 -5.845 -10.888 1.00 0.00 O ATOM 108 CB ALA A 8 -34.708 -6.833 -13.195 1.00 0.00 C ATOM 0 H ALA A 8 -32.502 -8.018 -13.170 1.00 0.00 H new ATOM 0 HA ALA A 8 -33.422 -5.395 -14.089 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -35.501 -6.107 -13.015 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -34.896 -7.350 -14.136 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -34.688 -7.558 -12.381 1.00 0.00 H new ATOM 114 N GLU A 9 -32.620 -4.087 -12.187 1.00 0.00 N ATOM 115 CA GLU A 9 -32.286 -3.227 -11.066 1.00 0.00 C ATOM 116 C GLU A 9 -32.248 -1.764 -11.512 1.00 0.00 C ATOM 117 O GLU A 9 -31.990 -1.474 -12.680 1.00 0.00 O ATOM 118 CB GLU A 9 -30.956 -3.642 -10.433 1.00 0.00 C ATOM 119 CG GLU A 9 -30.902 -3.242 -8.957 1.00 0.00 C ATOM 120 CD GLU A 9 -29.469 -3.303 -8.425 1.00 0.00 C ATOM 121 OE1 GLU A 9 -28.596 -2.568 -8.910 1.00 0.00 O ATOM 122 OE2 GLU A 9 -29.277 -4.150 -7.471 1.00 0.00 O ATOM 0 H GLU A 9 -32.496 -3.659 -13.105 1.00 0.00 H new ATOM 0 HA GLU A 9 -33.061 -3.335 -10.307 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -30.826 -4.720 -10.526 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -30.132 -3.174 -10.971 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -31.296 -2.233 -8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -31.539 -3.906 -8.373 1.00 0.00 H new ATOM 130 N SER A 10 -32.507 -0.880 -10.559 1.00 0.00 N ATOM 131 CA SER A 10 -32.506 0.545 -10.840 1.00 0.00 C ATOM 132 C SER A 10 -33.577 0.875 -11.882 1.00 0.00 C ATOM 133 O SER A 10 -34.115 -0.022 -12.528 1.00 0.00 O ATOM 134 CB SER A 10 -31.131 1.009 -11.326 1.00 0.00 C ATOM 135 OG SER A 10 -30.425 1.732 -10.322 1.00 0.00 O ATOM 0 H SER A 10 -32.719 -1.124 -9.591 1.00 0.00 H new ATOM 0 HA SER A 10 -32.733 1.076 -9.916 1.00 0.00 H new ATOM 0 HB2 SER A 10 -30.543 0.143 -11.630 1.00 0.00 H new ATOM 0 HB3 SER A 10 -31.252 1.638 -12.208 1.00 0.00 H new ATOM 0 HG SER A 10 -29.552 2.009 -10.671 1.00 0.00 H new ATOM 141 N SER A 11 -33.854 2.164 -12.011 1.00 0.00 N ATOM 142 CA SER A 11 -34.851 2.623 -12.963 1.00 0.00 C ATOM 143 C SER A 11 -36.223 2.051 -12.601 1.00 0.00 C ATOM 144 O SER A 11 -36.552 0.929 -12.982 1.00 0.00 O ATOM 145 CB SER A 11 -34.472 2.227 -14.392 1.00 0.00 C ATOM 146 OG SER A 11 -33.475 3.087 -14.937 1.00 0.00 O ATOM 0 H SER A 11 -33.406 2.905 -11.472 1.00 0.00 H new ATOM 0 HA SER A 11 -34.893 3.711 -12.915 1.00 0.00 H new ATOM 0 HB2 SER A 11 -34.108 1.200 -14.399 1.00 0.00 H new ATOM 0 HB3 SER A 11 -35.360 2.255 -15.024 1.00 0.00 H new ATOM 0 HG SER A 11 -33.259 2.801 -15.849 1.00 0.00 H new ATOM 152 N GLY A 12 -36.986 2.849 -11.868 1.00 0.00 N ATOM 153 CA GLY A 12 -38.315 2.436 -11.450 1.00 0.00 C ATOM 154 C GLY A 12 -38.584 2.843 -10.000 1.00 0.00 C ATOM 155 O GLY A 12 -38.951 3.986 -9.730 1.00 0.00 O ATOM 0 H GLY A 12 -36.709 3.779 -11.553 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -39.062 2.887 -12.103 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -38.413 1.355 -11.552 1.00 0.00 H new ATOM 159 N CYS A 13 -38.392 1.886 -9.104 1.00 0.00 N ATOM 160 CA CYS A 13 -38.609 2.130 -7.689 1.00 0.00 C ATOM 161 C CYS A 13 -38.246 0.858 -6.920 1.00 0.00 C ATOM 162 O CYS A 13 -39.125 0.167 -6.406 1.00 0.00 O ATOM 163 CB CYS A 13 -40.045 2.578 -7.406 1.00 0.00 C ATOM 164 SG CYS A 13 -40.059 3.825 -6.067 1.00 0.00 S ATOM 0 H CYS A 13 -38.088 0.939 -9.331 1.00 0.00 H new ATOM 0 HA CYS A 13 -37.970 2.948 -7.357 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -40.489 2.997 -8.309 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -40.653 1.719 -7.121 1.00 0.00 H new ATOM 0 HG CYS A 13 -41.282 4.200 -5.836 1.00 0.00 H new ATOM 170 N ASN A 14 -36.951 0.587 -6.866 1.00 0.00 N ATOM 171 CA ASN A 14 -36.461 -0.590 -6.168 1.00 0.00 C ATOM 172 C ASN A 14 -35.921 -0.177 -4.798 1.00 0.00 C ATOM 173 O ASN A 14 -35.079 -0.867 -4.225 1.00 0.00 O ATOM 174 CB ASN A 14 -35.322 -1.255 -6.944 1.00 0.00 C ATOM 175 CG ASN A 14 -35.766 -2.601 -7.521 1.00 0.00 C ATOM 176 OD1 ASN A 14 -36.558 -2.679 -8.446 1.00 0.00 O ATOM 177 ND2 ASN A 14 -35.212 -3.654 -6.926 1.00 0.00 N ATOM 0 H ASN A 14 -36.225 1.162 -7.294 1.00 0.00 H new ATOM 0 HA ASN A 14 -37.289 -1.292 -6.068 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -34.995 -0.599 -7.751 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -34.466 -1.402 -6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -35.443 -4.597 -7.239 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -34.556 -3.519 -6.157 1.00 0.00 H new ATOM 184 N SER A 15 -36.427 0.947 -4.311 1.00 0.00 N ATOM 185 CA SER A 15 -36.006 1.459 -3.019 1.00 0.00 C ATOM 186 C SER A 15 -37.177 2.161 -2.327 1.00 0.00 C ATOM 187 O SER A 15 -37.324 3.378 -2.429 1.00 0.00 O ATOM 188 CB SER A 15 -34.824 2.419 -3.165 1.00 0.00 C ATOM 189 OG SER A 15 -33.642 1.908 -2.555 1.00 0.00 O ATOM 0 H SER A 15 -37.125 1.517 -4.789 1.00 0.00 H new ATOM 0 HA SER A 15 -35.682 0.617 -2.407 1.00 0.00 H new ATOM 0 HB2 SER A 15 -34.635 2.603 -4.223 1.00 0.00 H new ATOM 0 HB3 SER A 15 -35.079 3.378 -2.715 1.00 0.00 H new ATOM 0 HG SER A 15 -32.910 2.549 -2.672 1.00 0.00 H new ATOM 195 N HIS A 16 -37.981 1.363 -1.640 1.00 0.00 N ATOM 196 CA HIS A 16 -39.134 1.892 -0.932 1.00 0.00 C ATOM 197 C HIS A 16 -39.615 0.872 0.102 1.00 0.00 C ATOM 198 O HIS A 16 -40.759 0.423 0.051 1.00 0.00 O ATOM 199 CB HIS A 16 -40.233 2.304 -1.914 1.00 0.00 C ATOM 200 CG HIS A 16 -41.409 2.994 -1.266 1.00 0.00 C ATOM 201 ND1 HIS A 16 -42.705 2.519 -1.367 1.00 0.00 N ATOM 202 CD2 HIS A 16 -41.471 4.126 -0.508 1.00 0.00 C ATOM 203 CE1 HIS A 16 -43.503 3.338 -0.696 1.00 0.00 C ATOM 204 NE2 HIS A 16 -42.736 4.333 -0.165 1.00 0.00 N ATOM 0 H HIS A 16 -37.857 0.354 -1.559 1.00 0.00 H new ATOM 0 HA HIS A 16 -38.850 2.796 -0.394 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -39.805 2.967 -2.665 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -40.589 1.417 -2.438 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -40.632 4.749 -0.233 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -44.573 3.235 -0.589 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -43.078 5.108 0.402 1.00 0.00 H new ATOM 212 N MET A 17 -38.716 0.534 1.015 1.00 0.00 N ATOM 213 CA MET A 17 -39.034 -0.425 2.059 1.00 0.00 C ATOM 214 C MET A 17 -40.440 -0.185 2.615 1.00 0.00 C ATOM 215 O MET A 17 -40.946 0.935 2.570 1.00 0.00 O ATOM 216 CB MET A 17 -38.011 -0.306 3.191 1.00 0.00 C ATOM 217 CG MET A 17 -37.844 1.150 3.628 1.00 0.00 C ATOM 218 SD MET A 17 -36.643 1.258 4.944 1.00 0.00 S ATOM 219 CE MET A 17 -35.485 2.404 4.214 1.00 0.00 C ATOM 0 H MET A 17 -37.768 0.907 1.053 1.00 0.00 H new ATOM 0 HA MET A 17 -38.999 -1.426 1.629 1.00 0.00 H new ATOM 0 HB2 MET A 17 -38.331 -0.910 4.040 1.00 0.00 H new ATOM 0 HB3 MET A 17 -37.051 -0.703 2.861 1.00 0.00 H new ATOM 0 HG2 MET A 17 -37.524 1.758 2.782 1.00 0.00 H new ATOM 0 HG3 MET A 17 -38.801 1.550 3.964 1.00 0.00 H new ATOM 0 HE1 MET A 17 -34.665 2.584 4.909 1.00 0.00 H new ATOM 0 HE2 MET A 17 -35.091 1.983 3.289 1.00 0.00 H new ATOM 0 HE3 MET A 17 -35.991 3.345 3.998 1.00 0.00 H new ATOM 229 N PRO A 18 -41.046 -1.284 3.139 1.00 0.00 N ATOM 230 CA PRO A 18 -42.383 -1.204 3.702 1.00 0.00 C ATOM 231 C PRO A 18 -42.361 -0.520 5.071 1.00 0.00 C ATOM 232 O PRO A 18 -41.390 0.150 5.419 1.00 0.00 O ATOM 233 CB PRO A 18 -42.870 -2.643 3.765 1.00 0.00 C ATOM 234 CG PRO A 18 -41.624 -3.509 3.672 1.00 0.00 C ATOM 235 CD PRO A 18 -40.476 -2.626 3.209 1.00 0.00 C ATOM 0 HA PRO A 18 -43.057 -0.595 3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -43.409 -2.833 4.693 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -43.558 -2.859 2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -41.396 -3.955 4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -41.781 -4.330 2.972 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -39.640 -2.665 3.907 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -40.096 -2.946 2.239 1.00 0.00 H new ATOM 243 N TYR A 19 -43.444 -0.713 5.810 1.00 0.00 N ATOM 244 CA TYR A 19 -43.561 -0.123 7.133 1.00 0.00 C ATOM 245 C TYR A 19 -42.534 -0.724 8.095 1.00 0.00 C ATOM 246 O TYR A 19 -41.794 -1.635 7.728 1.00 0.00 O ATOM 247 CB TYR A 19 -44.967 -0.469 7.626 1.00 0.00 C ATOM 248 CG TYR A 19 -46.064 -0.252 6.581 1.00 0.00 C ATOM 249 CD1 TYR A 19 -46.505 1.025 6.299 1.00 0.00 C ATOM 250 CD2 TYR A 19 -46.612 -1.333 5.921 1.00 0.00 C ATOM 251 CE1 TYR A 19 -47.537 1.229 5.316 1.00 0.00 C ATOM 252 CE2 TYR A 19 -47.644 -1.129 4.938 1.00 0.00 C ATOM 253 CZ TYR A 19 -48.056 0.142 4.684 1.00 0.00 C ATOM 254 OH TYR A 19 -49.031 0.335 3.756 1.00 0.00 O ATOM 0 H TYR A 19 -44.248 -1.269 5.518 1.00 0.00 H new ATOM 0 HA TYR A 19 -43.385 0.952 7.090 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -44.983 -1.512 7.944 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -45.192 0.135 8.505 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -46.076 1.871 6.816 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -46.267 -2.332 6.142 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -47.891 2.223 5.086 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -48.081 -1.966 4.414 1.00 0.00 H new ATOM 0 HH TYR A 19 -49.306 -0.530 3.386 1.00 0.00 H new ATOM 264 N GLY A 20 -42.522 -0.189 9.307 1.00 0.00 N ATOM 265 CA GLY A 20 -41.598 -0.661 10.324 1.00 0.00 C ATOM 266 C GLY A 20 -40.218 -0.024 10.149 1.00 0.00 C ATOM 267 O GLY A 20 -39.317 -0.256 10.954 1.00 0.00 O ATOM 0 H GLY A 20 -43.137 0.567 9.608 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -41.989 -0.424 11.314 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -41.512 -1.746 10.267 1.00 0.00 H new ATOM 271 N TYR A 21 -40.096 0.767 9.093 1.00 0.00 N ATOM 272 CA TYR A 21 -38.841 1.439 8.802 1.00 0.00 C ATOM 273 C TYR A 21 -38.631 2.634 9.734 1.00 0.00 C ATOM 274 O TYR A 21 -37.561 3.241 9.739 1.00 0.00 O ATOM 275 CB TYR A 21 -38.956 1.944 7.363 1.00 0.00 C ATOM 276 CG TYR A 21 -39.846 3.179 7.206 1.00 0.00 C ATOM 277 CD1 TYR A 21 -39.351 4.429 7.516 1.00 0.00 C ATOM 278 CD2 TYR A 21 -41.143 3.042 6.754 1.00 0.00 C ATOM 279 CE1 TYR A 21 -40.188 5.592 7.368 1.00 0.00 C ATOM 280 CE2 TYR A 21 -41.980 4.205 6.607 1.00 0.00 C ATOM 281 CZ TYR A 21 -41.461 5.422 6.921 1.00 0.00 C ATOM 282 OH TYR A 21 -42.252 6.520 6.781 1.00 0.00 O ATOM 0 H TYR A 21 -40.846 0.958 8.428 1.00 0.00 H new ATOM 0 HA TYR A 21 -38.001 0.759 8.940 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -37.959 2.178 6.990 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -39.350 1.143 6.738 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -38.336 4.536 7.870 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -41.530 2.063 6.511 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -39.813 6.576 7.607 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -42.997 4.113 6.255 1.00 0.00 H new ATOM 0 HH TYR A 21 -43.134 6.248 6.452 1.00 0.00 H new ATOM 292 N ALA A 22 -39.669 2.937 10.500 1.00 0.00 N ATOM 293 CA ALA A 22 -39.611 4.048 11.434 1.00 0.00 C ATOM 294 C ALA A 22 -38.766 3.649 12.645 1.00 0.00 C ATOM 295 O ALA A 22 -38.167 4.502 13.297 1.00 0.00 O ATOM 296 CB ALA A 22 -41.032 4.461 11.825 1.00 0.00 C ATOM 0 H ALA A 22 -40.555 2.432 10.493 1.00 0.00 H new ATOM 0 HA ALA A 22 -39.135 4.913 10.972 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -40.989 5.295 12.526 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -41.581 4.764 10.934 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -41.540 3.618 12.294 1.00 0.00 H new ATOM 302 N ALA A 23 -38.744 2.350 12.908 1.00 0.00 N ATOM 303 CA ALA A 23 -37.982 1.827 14.029 1.00 0.00 C ATOM 304 C ALA A 23 -36.563 1.494 13.564 1.00 0.00 C ATOM 305 O ALA A 23 -35.833 0.779 14.250 1.00 0.00 O ATOM 306 CB ALA A 23 -38.704 0.612 14.615 1.00 0.00 C ATOM 0 H ALA A 23 -39.241 1.645 12.364 1.00 0.00 H new ATOM 0 HA ALA A 23 -37.903 2.572 14.821 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.132 0.220 15.456 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.696 0.908 14.957 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.799 -0.159 13.850 1.00 0.00 H new ATOM 312 N GLN A 24 -36.215 2.027 12.402 1.00 0.00 N ATOM 313 CA GLN A 24 -34.896 1.795 11.838 1.00 0.00 C ATOM 314 C GLN A 24 -33.886 2.784 12.424 1.00 0.00 C ATOM 315 O GLN A 24 -32.702 2.735 12.097 1.00 0.00 O ATOM 316 CB GLN A 24 -34.929 1.885 10.311 1.00 0.00 C ATOM 317 CG GLN A 24 -33.874 0.971 9.685 1.00 0.00 C ATOM 318 CD GLN A 24 -34.180 -0.500 9.976 1.00 0.00 C ATOM 319 OE1 GLN A 24 -33.675 -1.091 10.916 1.00 0.00 O ATOM 320 NE2 GLN A 24 -35.033 -1.055 9.120 1.00 0.00 N ATOM 0 H GLN A 24 -36.823 2.619 11.836 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.582 0.785 12.103 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.918 1.606 9.948 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -34.754 2.915 10.000 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -33.841 1.133 8.608 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -32.889 1.225 10.076 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -35.419 -0.503 8.354 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -35.301 -2.033 9.229 1.00 0.00 H new ATOM 329 N ALA A 25 -34.393 3.660 13.279 1.00 0.00 N ATOM 330 CA ALA A 25 -33.550 4.660 13.913 1.00 0.00 C ATOM 331 C ALA A 25 -32.468 3.960 14.738 1.00 0.00 C ATOM 332 O ALA A 25 -31.437 4.554 15.048 1.00 0.00 O ATOM 333 CB ALA A 25 -34.416 5.594 14.761 1.00 0.00 C ATOM 0 H ALA A 25 -35.376 3.698 13.548 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.049 5.271 13.162 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -33.784 6.344 15.237 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.149 6.088 14.124 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -34.932 5.016 15.527 1.00 0.00 H new ATOM 339 N ARG A 26 -32.740 2.706 15.069 1.00 0.00 N ATOM 340 CA ARG A 26 -31.802 1.918 15.851 1.00 0.00 C ATOM 341 C ARG A 26 -30.587 1.542 15.001 1.00 0.00 C ATOM 342 O ARG A 26 -29.479 1.409 15.520 1.00 0.00 O ATOM 343 CB ARG A 26 -32.461 0.643 16.380 1.00 0.00 C ATOM 344 CG ARG A 26 -32.117 0.418 17.853 1.00 0.00 C ATOM 345 CD ARG A 26 -31.956 -1.073 18.158 1.00 0.00 C ATOM 346 NE ARG A 26 -31.256 -1.253 19.449 1.00 0.00 N ATOM 347 CZ ARG A 26 -30.978 -2.454 19.998 1.00 0.00 C ATOM 348 NH1 ARG A 26 -31.341 -3.594 19.372 1.00 0.00 N ATOM 349 NH2 ARG A 26 -30.348 -2.498 21.157 1.00 0.00 N ATOM 0 H ARG A 26 -33.596 2.216 14.810 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.483 2.526 16.698 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.542 0.713 16.262 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.131 -0.213 15.791 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -31.195 0.945 18.099 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -32.902 0.839 18.482 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -32.934 -1.553 18.195 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -31.394 -1.557 17.360 1.00 0.00 H new ATOM 0 HE ARG A 26 -30.965 -0.417 19.956 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -31.829 -3.551 18.477 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -31.127 -4.498 19.794 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -30.079 -1.632 21.624 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -30.130 -3.398 21.585 1.00 0.00 H new ATOM 362 N ALA A 27 -30.835 1.380 13.710 1.00 0.00 N ATOM 363 CA ALA A 27 -29.775 1.022 12.783 1.00 0.00 C ATOM 364 C ALA A 27 -28.823 2.208 12.620 1.00 0.00 C ATOM 365 O ALA A 27 -27.629 2.024 12.390 1.00 0.00 O ATOM 366 CB ALA A 27 -30.387 0.578 11.453 1.00 0.00 C ATOM 0 H ALA A 27 -31.755 1.490 13.284 1.00 0.00 H new ATOM 0 HA ALA A 27 -29.194 0.185 13.170 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.591 0.310 10.758 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -31.031 -0.286 11.619 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.976 1.394 11.033 1.00 0.00 H new ATOM 372 N ARG A 28 -29.388 3.400 12.745 1.00 0.00 N ATOM 373 CA ARG A 28 -28.604 4.617 12.614 1.00 0.00 C ATOM 374 C ARG A 28 -27.526 4.673 13.698 1.00 0.00 C ATOM 375 O ARG A 28 -26.453 5.235 13.483 1.00 0.00 O ATOM 376 CB ARG A 28 -29.492 5.858 12.723 1.00 0.00 C ATOM 377 CG ARG A 28 -29.154 6.872 11.628 1.00 0.00 C ATOM 378 CD ARG A 28 -30.142 8.040 11.639 1.00 0.00 C ATOM 379 NE ARG A 28 -29.451 9.282 12.052 1.00 0.00 N ATOM 380 CZ ARG A 28 -29.300 9.674 13.335 1.00 0.00 C ATOM 381 NH1 ARG A 28 -29.791 8.922 14.343 1.00 0.00 N ATOM 382 NH2 ARG A 28 -28.665 10.803 13.590 1.00 0.00 N ATOM 0 H ARG A 28 -30.379 3.549 12.936 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.135 4.605 11.630 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.540 5.568 12.644 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.362 6.318 13.702 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -28.141 7.247 11.774 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -29.175 6.382 10.655 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -30.577 8.168 10.648 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -30.963 7.826 12.323 1.00 0.00 H new ATOM 0 HE ARG A 28 -29.065 9.879 11.321 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -30.280 8.051 14.138 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -29.673 9.225 15.310 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -28.297 11.365 12.823 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -28.543 11.113 14.554 1.00 0.00 H new ATOM 395 N GLU A 29 -27.848 4.082 14.840 1.00 0.00 N ATOM 396 CA GLU A 29 -26.920 4.058 15.958 1.00 0.00 C ATOM 397 C GLU A 29 -25.887 2.945 15.766 1.00 0.00 C ATOM 398 O GLU A 29 -24.783 3.021 16.302 1.00 0.00 O ATOM 399 CB GLU A 29 -27.665 3.893 17.284 1.00 0.00 C ATOM 400 CG GLU A 29 -27.954 5.252 17.924 1.00 0.00 C ATOM 401 CD GLU A 29 -29.450 5.423 18.195 1.00 0.00 C ATOM 402 OE1 GLU A 29 -30.280 4.851 17.474 1.00 0.00 O ATOM 403 OE2 GLU A 29 -29.738 6.183 19.197 1.00 0.00 O ATOM 0 H GLU A 29 -28.738 3.616 15.015 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.395 5.012 15.991 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -28.601 3.360 17.115 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -27.070 3.285 17.966 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -27.399 5.344 18.857 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -27.606 6.049 17.267 1.00 0.00 H new ATOM 411 N ARG A 30 -26.284 1.939 15.001 1.00 0.00 N ATOM 412 CA ARG A 30 -25.407 0.812 14.733 1.00 0.00 C ATOM 413 C ARG A 30 -24.575 1.075 13.475 1.00 0.00 C ATOM 414 O ARG A 30 -23.460 0.571 13.347 1.00 0.00 O ATOM 415 CB ARG A 30 -26.208 -0.477 14.545 1.00 0.00 C ATOM 416 CG ARG A 30 -26.291 -1.266 15.854 1.00 0.00 C ATOM 417 CD ARG A 30 -27.499 -0.827 16.683 1.00 0.00 C ATOM 418 NE ARG A 30 -27.086 0.182 17.684 1.00 0.00 N ATOM 419 CZ ARG A 30 -26.479 -0.115 18.852 1.00 0.00 C ATOM 420 NH1 ARG A 30 -26.209 -1.397 19.177 1.00 0.00 N ATOM 421 NH2 ARG A 30 -26.154 0.866 19.673 1.00 0.00 N ATOM 0 H ARG A 30 -27.201 1.881 14.558 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.747 0.694 15.592 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.212 -0.238 14.196 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.741 -1.091 13.775 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -26.363 -2.332 15.636 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -25.377 -1.119 16.430 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -28.267 -0.411 16.030 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -27.939 -1.689 17.184 1.00 0.00 H new ATOM 0 HE ARG A 30 -27.272 1.164 17.478 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -26.464 -2.150 18.538 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -25.750 -1.613 20.062 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -26.362 1.832 19.421 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -25.695 0.658 20.560 1.00 0.00 H new ATOM 434 N GLU A 31 -25.149 1.865 12.579 1.00 0.00 N ATOM 435 CA GLU A 31 -24.475 2.200 11.337 1.00 0.00 C ATOM 436 C GLU A 31 -23.380 3.238 11.591 1.00 0.00 C ATOM 437 O GLU A 31 -22.395 3.299 10.857 1.00 0.00 O ATOM 438 CB GLU A 31 -25.472 2.701 10.290 1.00 0.00 C ATOM 439 CG GLU A 31 -26.196 1.532 9.619 1.00 0.00 C ATOM 440 CD GLU A 31 -26.550 1.865 8.168 1.00 0.00 C ATOM 441 OE1 GLU A 31 -26.735 3.044 7.831 1.00 0.00 O ATOM 442 OE2 GLU A 31 -26.631 0.848 7.379 1.00 0.00 O ATOM 0 H GLU A 31 -26.073 2.282 12.689 1.00 0.00 H new ATOM 0 HA GLU A 31 -24.009 1.296 10.944 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.200 3.361 10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -24.949 3.290 9.537 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -25.565 0.644 9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -27.104 1.296 10.173 1.00 0.00 H new ATOM 450 N ARG A 32 -23.589 4.029 12.633 1.00 0.00 N ATOM 451 CA ARG A 32 -22.631 5.061 12.993 1.00 0.00 C ATOM 452 C ARG A 32 -21.266 4.438 13.290 1.00 0.00 C ATOM 453 O ARG A 32 -20.232 5.068 13.072 1.00 0.00 O ATOM 454 CB ARG A 32 -23.103 5.846 14.219 1.00 0.00 C ATOM 455 CG ARG A 32 -22.695 7.317 14.119 1.00 0.00 C ATOM 456 CD ARG A 32 -22.178 7.836 15.462 1.00 0.00 C ATOM 457 NE ARG A 32 -23.071 8.902 15.970 1.00 0.00 N ATOM 458 CZ ARG A 32 -22.925 9.503 17.170 1.00 0.00 C ATOM 459 NH1 ARG A 32 -21.919 9.148 17.997 1.00 0.00 N ATOM 460 NH2 ARG A 32 -23.781 10.444 17.522 1.00 0.00 N ATOM 0 H ARG A 32 -24.407 3.976 13.240 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.546 5.744 12.148 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -24.187 5.771 14.308 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.678 5.408 15.122 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -21.922 7.433 13.359 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -23.549 7.914 13.799 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -22.127 7.019 16.182 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -21.165 8.223 15.347 1.00 0.00 H new ATOM 0 HE ARG A 32 -23.845 9.201 15.376 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -21.261 8.420 17.717 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.816 9.608 18.902 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -24.538 10.707 16.891 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -23.685 10.908 18.425 1.00 0.00 H new ATOM 473 N LEU A 33 -21.306 3.209 13.782 1.00 0.00 N ATOM 474 CA LEU A 33 -20.084 2.494 14.110 1.00 0.00 C ATOM 475 C LEU A 33 -19.614 1.707 12.885 1.00 0.00 C ATOM 476 O LEU A 33 -18.479 1.235 12.844 1.00 0.00 O ATOM 477 CB LEU A 33 -20.288 1.629 15.355 1.00 0.00 C ATOM 478 CG LEU A 33 -19.284 1.840 16.491 1.00 0.00 C ATOM 479 CD1 LEU A 33 -19.707 3.006 17.386 1.00 0.00 C ATOM 480 CD2 LEU A 33 -19.078 0.551 17.288 1.00 0.00 C ATOM 0 H LEU A 33 -22.165 2.690 13.962 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.289 3.195 14.363 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.289 1.816 15.743 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.252 0.582 15.055 1.00 0.00 H new ATOM 0 HG LEU A 33 -18.322 2.103 16.052 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -18.977 3.135 18.185 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -19.761 3.919 16.793 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.685 2.796 17.819 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -18.360 0.729 18.089 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -20.028 0.233 17.717 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -18.699 -0.229 16.627 1.00 0.00 H new ATOM 492 N ALA A 34 -20.510 1.591 11.916 1.00 0.00 N ATOM 493 CA ALA A 34 -20.201 0.869 10.693 1.00 0.00 C ATOM 494 C ALA A 34 -19.434 1.791 9.743 1.00 0.00 C ATOM 495 O ALA A 34 -19.145 1.416 8.607 1.00 0.00 O ATOM 496 CB ALA A 34 -21.495 0.338 10.073 1.00 0.00 C ATOM 0 H ALA A 34 -21.450 1.985 11.953 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.565 0.010 10.904 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.264 -0.203 9.156 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -21.987 -0.334 10.777 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.158 1.172 9.844 1.00 0.00 H new ATOM 502 N HIS A 35 -19.126 2.979 10.242 1.00 0.00 N ATOM 503 CA HIS A 35 -18.398 3.957 9.451 1.00 0.00 C ATOM 504 C HIS A 35 -16.895 3.780 9.674 1.00 0.00 C ATOM 505 O HIS A 35 -16.084 4.345 8.941 1.00 0.00 O ATOM 506 CB HIS A 35 -18.881 5.375 9.763 1.00 0.00 C ATOM 507 CG HIS A 35 -18.120 6.456 9.033 1.00 0.00 C ATOM 508 ND1 HIS A 35 -18.613 7.087 7.904 1.00 0.00 N ATOM 509 CD2 HIS A 35 -16.900 7.012 9.283 1.00 0.00 C ATOM 510 CE1 HIS A 35 -17.720 7.980 7.501 1.00 0.00 C ATOM 511 NE2 HIS A 35 -16.659 7.931 8.357 1.00 0.00 N ATOM 0 H HIS A 35 -19.367 3.287 11.184 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.595 3.793 8.391 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.938 5.453 9.507 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -18.799 5.548 10.836 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -16.241 6.749 10.097 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -17.816 8.632 6.645 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -15.819 8.506 8.295 1.00 0.00 H new ATOM 519 N SER A 36 -16.567 2.994 10.689 1.00 0.00 N ATOM 520 CA SER A 36 -15.176 2.735 11.017 1.00 0.00 C ATOM 521 C SER A 36 -14.679 1.504 10.257 1.00 0.00 C ATOM 522 O SER A 36 -13.474 1.314 10.097 1.00 0.00 O ATOM 523 CB SER A 36 -14.992 2.539 12.523 1.00 0.00 C ATOM 524 OG SER A 36 -13.912 3.314 13.035 1.00 0.00 O ATOM 0 H SER A 36 -17.242 2.528 11.295 1.00 0.00 H new ATOM 0 HA SER A 36 -14.587 3.602 10.716 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.912 2.814 13.039 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.812 1.484 12.732 1.00 0.00 H new ATOM 0 HG SER A 36 -13.829 3.162 14.000 1.00 0.00 H new ATOM 530 N ARG A 37 -15.632 0.700 9.809 1.00 0.00 N ATOM 531 CA ARG A 37 -15.306 -0.507 9.069 1.00 0.00 C ATOM 532 C ARG A 37 -15.196 -0.201 7.574 1.00 0.00 C ATOM 533 O ARG A 37 -15.143 -1.114 6.752 1.00 0.00 O ATOM 534 CB ARG A 37 -16.367 -1.588 9.285 1.00 0.00 C ATOM 535 CG ARG A 37 -15.720 -2.964 9.459 1.00 0.00 C ATOM 536 CD ARG A 37 -16.778 -4.070 9.468 1.00 0.00 C ATOM 537 NE ARG A 37 -16.490 -5.036 10.551 1.00 0.00 N ATOM 538 CZ ARG A 37 -15.678 -6.106 10.415 1.00 0.00 C ATOM 539 NH1 ARG A 37 -15.065 -6.355 9.238 1.00 0.00 N ATOM 540 NH2 ARG A 37 -15.492 -6.904 11.450 1.00 0.00 N ATOM 0 H ARG A 37 -16.630 0.861 9.944 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.349 -0.874 9.439 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.962 -1.348 10.166 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.049 -1.608 8.435 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.010 -3.141 8.651 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.155 -2.989 10.391 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -17.768 -3.637 9.610 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.789 -4.582 8.506 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.933 -4.884 11.457 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.214 -5.733 8.444 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.453 -7.165 9.143 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.959 -6.708 12.336 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.882 -7.717 11.364 1.00 0.00 H new ATOM 553 N ALA A 38 -15.165 1.088 7.268 1.00 0.00 N ATOM 554 CA ALA A 38 -15.062 1.526 5.886 1.00 0.00 C ATOM 555 C ALA A 38 -13.754 1.007 5.287 1.00 0.00 C ATOM 556 O ALA A 38 -13.768 0.226 4.337 1.00 0.00 O ATOM 557 CB ALA A 38 -15.167 3.051 5.825 1.00 0.00 C ATOM 0 H ALA A 38 -15.209 1.843 7.953 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.880 1.119 5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.090 3.380 4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.126 3.366 6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -14.360 3.495 6.408 1.00 0.00 H new ATOM 563 N ALA A 39 -12.653 1.463 5.867 1.00 0.00 N ATOM 564 CA ALA A 39 -11.338 1.054 5.402 1.00 0.00 C ATOM 565 C ALA A 39 -10.905 -0.205 6.154 1.00 0.00 C ATOM 566 O ALA A 39 -9.918 -0.186 6.889 1.00 0.00 O ATOM 567 CB ALA A 39 -10.351 2.209 5.582 1.00 0.00 C ATOM 0 H ALA A 39 -12.645 2.111 6.654 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.365 0.811 4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.365 1.903 5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.689 3.070 5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.295 2.479 6.637 1.00 0.00 H new ATOM 573 N ALA A 40 -11.663 -1.271 5.945 1.00 0.00 N ATOM 574 CA ALA A 40 -11.370 -2.538 6.594 1.00 0.00 C ATOM 575 C ALA A 40 -10.027 -3.067 6.087 1.00 0.00 C ATOM 576 O ALA A 40 -9.081 -3.213 6.859 1.00 0.00 O ATOM 577 CB ALA A 40 -12.516 -3.519 6.341 1.00 0.00 C ATOM 0 H ALA A 40 -12.480 -1.284 5.335 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.287 -2.406 7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.296 -4.469 6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.441 -3.110 6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.628 -3.678 5.269 1.00 0.00 H new ATOM 583 N ALA A 41 -9.986 -3.340 4.790 1.00 0.00 N ATOM 584 CA ALA A 41 -8.775 -3.849 4.171 1.00 0.00 C ATOM 585 C ALA A 41 -7.561 -3.144 4.778 1.00 0.00 C ATOM 586 O ALA A 41 -7.219 -2.033 4.375 1.00 0.00 O ATOM 587 CB ALA A 41 -8.860 -3.663 2.655 1.00 0.00 C ATOM 0 H ALA A 41 -10.772 -3.218 4.152 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.665 -4.916 4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.951 -4.045 2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.722 -4.208 2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.968 -2.603 2.424 1.00 0.00 H new ATOM 593 N ALA A 42 -6.942 -3.818 5.736 1.00 0.00 N ATOM 594 CA ALA A 42 -5.774 -3.269 6.403 1.00 0.00 C ATOM 595 C ALA A 42 -4.516 -3.955 5.864 1.00 0.00 C ATOM 596 O ALA A 42 -3.765 -3.363 5.090 1.00 0.00 O ATOM 597 CB ALA A 42 -5.925 -3.433 7.916 1.00 0.00 C ATOM 0 H ALA A 42 -7.228 -4.740 6.066 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.681 -2.202 6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.048 -3.021 8.416 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.817 -2.904 8.252 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.018 -4.491 8.160 1.00 0.00 H new ATOM 603 N ALA A 43 -4.325 -5.193 6.296 1.00 0.00 N ATOM 604 CA ALA A 43 -3.172 -5.965 5.867 1.00 0.00 C ATOM 605 C ALA A 43 -3.123 -5.995 4.338 1.00 0.00 C ATOM 606 O ALA A 43 -2.077 -6.268 3.752 1.00 0.00 O ATOM 607 CB ALA A 43 -3.241 -7.367 6.476 1.00 0.00 C ATOM 0 H ALA A 43 -4.950 -5.680 6.939 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.249 -5.503 6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.376 -7.947 6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.243 -7.292 7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.153 -7.863 6.145 1.00 0.00 H new ATOM 613 N VAL A 44 -4.269 -5.711 3.736 1.00 0.00 N ATOM 614 CA VAL A 44 -4.370 -5.702 2.286 1.00 0.00 C ATOM 615 C VAL A 44 -4.057 -4.298 1.766 1.00 0.00 C ATOM 616 O VAL A 44 -3.542 -4.142 0.660 1.00 0.00 O ATOM 617 CB VAL A 44 -5.749 -6.205 1.855 1.00 0.00 C ATOM 618 CG1 VAL A 44 -6.319 -5.343 0.727 1.00 0.00 C ATOM 619 CG2 VAL A 44 -5.692 -7.678 1.444 1.00 0.00 C ATOM 0 H VAL A 44 -5.135 -5.486 4.226 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.639 -6.381 1.848 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.418 -6.122 2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.300 -5.722 0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.414 -4.313 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.650 -5.379 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.685 -8.010 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.001 -7.796 0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.349 -8.278 2.287 1.00 0.00 H new ATOM 629 N ALA A 45 -4.380 -3.311 2.589 1.00 0.00 N ATOM 630 CA ALA A 45 -4.139 -1.925 2.226 1.00 0.00 C ATOM 631 C ALA A 45 -2.766 -1.807 1.562 1.00 0.00 C ATOM 632 O ALA A 45 -2.652 -1.293 0.450 1.00 0.00 O ATOM 633 CB ALA A 45 -4.262 -1.042 3.470 1.00 0.00 C ATOM 0 H ALA A 45 -4.807 -3.444 3.506 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.884 -1.582 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.081 -0.002 3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.264 -1.139 3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.528 -1.355 4.213 1.00 0.00 H new ATOM 639 N ALA A 46 -1.757 -2.292 2.271 1.00 0.00 N ATOM 640 CA ALA A 46 -0.396 -2.248 1.764 1.00 0.00 C ATOM 641 C ALA A 46 -0.316 -3.046 0.461 1.00 0.00 C ATOM 642 O ALA A 46 0.157 -2.538 -0.555 1.00 0.00 O ATOM 643 CB ALA A 46 0.564 -2.776 2.831 1.00 0.00 C ATOM 0 H ALA A 46 -1.855 -2.718 3.193 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.103 -1.222 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.585 -2.743 2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.490 -2.157 3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.302 -3.805 3.079 1.00 0.00 H new ATOM 649 N ALA A 47 -0.785 -4.283 0.532 1.00 0.00 N ATOM 650 CA ALA A 47 -0.772 -5.156 -0.629 1.00 0.00 C ATOM 651 C ALA A 47 -1.547 -4.493 -1.769 1.00 0.00 C ATOM 652 O ALA A 47 -2.007 -3.360 -1.635 1.00 0.00 O ATOM 653 CB ALA A 47 -1.350 -6.521 -0.248 1.00 0.00 C ATOM 0 H ALA A 47 -1.176 -4.701 1.376 1.00 0.00 H new ATOM 0 HA ALA A 47 0.249 -5.319 -0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.340 -7.176 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.747 -6.963 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.375 -6.397 0.102 1.00 0.00 H new ATOM 659 N THR A 48 -1.667 -5.227 -2.866 1.00 0.00 N ATOM 660 CA THR A 48 -2.378 -4.723 -4.029 1.00 0.00 C ATOM 661 C THR A 48 -2.067 -3.241 -4.244 1.00 0.00 C ATOM 662 O THR A 48 -2.970 -2.405 -4.230 1.00 0.00 O ATOM 663 CB THR A 48 -3.868 -5.010 -3.832 1.00 0.00 C ATOM 664 OG1 THR A 48 -4.175 -4.406 -2.579 1.00 0.00 O ATOM 665 CG2 THR A 48 -4.154 -6.496 -3.610 1.00 0.00 C ATOM 0 H THR A 48 -1.284 -6.166 -2.974 1.00 0.00 H new ATOM 0 HA THR A 48 -2.053 -5.225 -4.940 1.00 0.00 H new ATOM 0 HB THR A 48 -4.423 -4.660 -4.703 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.773 -3.513 -2.539 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.226 -6.644 -3.476 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.815 -7.065 -4.475 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.626 -6.839 -2.720 1.00 0.00 H new ATOM 673 N ALA A 49 -0.787 -2.960 -4.438 1.00 0.00 N ATOM 674 CA ALA A 49 -0.346 -1.592 -4.655 1.00 0.00 C ATOM 675 C ALA A 49 -1.227 -0.940 -5.722 1.00 0.00 C ATOM 676 O ALA A 49 -1.440 -1.511 -6.791 1.00 0.00 O ATOM 677 CB ALA A 49 1.135 -1.589 -5.040 1.00 0.00 C ATOM 0 H ALA A 49 -0.041 -3.656 -4.450 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.447 -1.006 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.467 -0.563 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.721 -2.036 -4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.274 -2.165 -5.955 1.00 0.00 H new ATOM 683 N ALA A 50 -1.717 0.247 -5.396 1.00 0.00 N ATOM 684 CA ALA A 50 -2.571 0.982 -6.313 1.00 0.00 C ATOM 685 C ALA A 50 -1.699 1.777 -7.287 1.00 0.00 C ATOM 686 O ALA A 50 -1.908 2.974 -7.478 1.00 0.00 O ATOM 687 CB ALA A 50 -3.522 1.879 -5.517 1.00 0.00 C ATOM 0 H ALA A 50 -1.539 0.718 -4.509 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.183 0.298 -6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.163 2.431 -6.205 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.138 1.264 -4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.943 2.582 -4.918 1.00 0.00 H new ATOM 693 N VAL A 51 -0.741 1.078 -7.879 1.00 0.00 N ATOM 694 CA VAL A 51 0.162 1.704 -8.830 1.00 0.00 C ATOM 695 C VAL A 51 0.408 0.747 -9.998 1.00 0.00 C ATOM 696 O VAL A 51 1.552 0.406 -10.296 1.00 0.00 O ATOM 697 CB VAL A 51 1.451 2.129 -8.124 1.00 0.00 C ATOM 698 CG1 VAL A 51 2.413 2.808 -9.101 1.00 0.00 C ATOM 699 CG2 VAL A 51 1.149 3.039 -6.931 1.00 0.00 C ATOM 0 H VAL A 51 -0.571 0.085 -7.719 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.283 2.611 -9.240 1.00 0.00 H new ATOM 0 HB VAL A 51 1.937 1.230 -7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.321 3.100 -8.574 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.666 2.115 -9.903 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.938 3.693 -9.523 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.082 3.326 -6.447 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.630 3.933 -7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.519 2.507 -6.218 1.00 0.00 H new ATOM 709 N GLU A 52 -0.684 0.341 -10.629 1.00 0.00 N ATOM 710 CA GLU A 52 -0.601 -0.570 -11.758 1.00 0.00 C ATOM 711 C GLU A 52 -1.264 0.050 -12.989 1.00 0.00 C ATOM 712 O GLU A 52 -2.248 0.779 -12.868 1.00 0.00 O ATOM 713 CB GLU A 52 -1.230 -1.923 -11.419 1.00 0.00 C ATOM 714 CG GLU A 52 -0.771 -3.002 -12.401 1.00 0.00 C ATOM 715 CD GLU A 52 -1.893 -3.371 -13.374 1.00 0.00 C ATOM 716 OE1 GLU A 52 -3.076 -3.290 -13.015 1.00 0.00 O ATOM 717 OE2 GLU A 52 -1.498 -3.751 -14.542 1.00 0.00 O ATOM 0 H GLU A 52 -1.631 0.626 -10.380 1.00 0.00 H new ATOM 0 HA GLU A 52 0.451 -0.743 -11.984 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.957 -2.211 -10.404 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.317 -1.840 -11.446 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.096 -2.647 -12.958 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.455 -3.889 -11.851 1.00 0.00 H new ATOM 725 N GLY A 53 -0.700 -0.263 -14.147 1.00 0.00 N ATOM 726 CA GLY A 53 -1.224 0.254 -15.399 1.00 0.00 C ATOM 727 C GLY A 53 -0.181 0.153 -16.514 1.00 0.00 C ATOM 728 O GLY A 53 0.458 1.144 -16.862 1.00 0.00 O ATOM 0 H GLY A 53 0.115 -0.869 -14.244 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.118 -0.303 -15.681 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.524 1.294 -15.270 1.00 0.00 H new ATOM 732 N THR A 54 -0.042 -1.054 -17.042 1.00 0.00 N ATOM 733 CA THR A 54 0.913 -1.298 -18.110 1.00 0.00 C ATOM 734 C THR A 54 0.211 -1.271 -19.469 1.00 0.00 C ATOM 735 O THR A 54 -0.981 -1.561 -19.562 1.00 0.00 O ATOM 736 CB THR A 54 1.621 -2.622 -17.818 1.00 0.00 C ATOM 737 OG1 THR A 54 2.607 -2.722 -18.842 1.00 0.00 O ATOM 738 CG2 THR A 54 0.717 -3.834 -18.052 1.00 0.00 C ATOM 0 H THR A 54 -0.575 -1.874 -16.750 1.00 0.00 H new ATOM 0 HA THR A 54 1.667 -0.512 -18.153 1.00 0.00 H new ATOM 0 HB THR A 54 1.972 -2.625 -16.786 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.115 -3.552 -18.727 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.269 -4.748 -17.830 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.154 -3.769 -17.401 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.392 -3.850 -19.092 1.00 0.00 H new ATOM 746 N GLY A 55 0.980 -0.920 -20.489 1.00 0.00 N ATOM 747 CA GLY A 55 0.446 -0.851 -21.839 1.00 0.00 C ATOM 748 C GLY A 55 1.573 -0.762 -22.870 1.00 0.00 C ATOM 749 O GLY A 55 2.734 -1.016 -22.550 1.00 0.00 O ATOM 0 H GLY A 55 1.968 -0.680 -20.408 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.165 -1.732 -22.038 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.206 0.017 -21.932 1.00 0.00 H new ATOM 753 N GLY A 56 1.192 -0.402 -24.087 1.00 0.00 N ATOM 754 CA GLY A 56 2.156 -0.277 -25.167 1.00 0.00 C ATOM 755 C GLY A 56 1.596 -0.848 -26.471 1.00 0.00 C ATOM 756 O GLY A 56 0.591 -1.557 -26.461 1.00 0.00 O ATOM 0 H GLY A 56 0.229 -0.193 -24.349 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.416 0.772 -25.307 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.075 -0.800 -24.902 1.00 0.00 H new ATOM 760 N SER A 57 2.272 -0.520 -27.562 1.00 0.00 N ATOM 761 CA SER A 57 1.855 -0.992 -28.871 1.00 0.00 C ATOM 762 C SER A 57 3.080 -1.245 -29.752 1.00 0.00 C ATOM 763 O SER A 57 4.035 -0.470 -29.730 1.00 0.00 O ATOM 764 CB SER A 57 0.916 0.011 -29.545 1.00 0.00 C ATOM 765 OG SER A 57 -0.322 -0.586 -29.921 1.00 0.00 O ATOM 0 H SER A 57 3.106 0.067 -27.566 1.00 0.00 H new ATOM 0 HA SER A 57 1.311 -1.927 -28.739 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.726 0.842 -28.866 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.402 0.425 -30.428 1.00 0.00 H new ATOM 0 HG SER A 57 -0.894 0.087 -30.346 1.00 0.00 H new ATOM 771 N GLY A 58 3.013 -2.334 -30.504 1.00 0.00 N ATOM 772 CA GLY A 58 4.106 -2.699 -31.390 1.00 0.00 C ATOM 773 C GLY A 58 3.591 -3.477 -32.603 1.00 0.00 C ATOM 774 O GLY A 58 2.645 -4.255 -32.491 1.00 0.00 O ATOM 0 H GLY A 58 2.220 -2.975 -30.518 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.625 -1.800 -31.723 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.833 -3.304 -30.847 1.00 0.00 H new ATOM 778 N GLY A 59 4.237 -3.239 -33.736 1.00 0.00 N ATOM 779 CA GLY A 59 3.856 -3.907 -34.968 1.00 0.00 C ATOM 780 C GLY A 59 4.386 -3.151 -36.188 1.00 0.00 C ATOM 781 O GLY A 59 4.749 -1.980 -36.088 1.00 0.00 O ATOM 0 H GLY A 59 5.021 -2.593 -33.826 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.245 -4.925 -34.969 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.770 -3.981 -35.025 1.00 0.00 H new ATOM 785 N GLY A 60 4.414 -3.851 -37.313 1.00 0.00 N ATOM 786 CA GLY A 60 4.893 -3.260 -38.551 1.00 0.00 C ATOM 787 C GLY A 60 5.910 -4.174 -39.237 1.00 0.00 C ATOM 788 O GLY A 60 6.078 -5.327 -38.843 1.00 0.00 O ATOM 0 H GLY A 60 4.113 -4.822 -37.393 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.052 -3.078 -39.221 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.350 -2.293 -38.343 1.00 0.00 H new ATOM 792 N PRO A 61 6.579 -3.611 -40.278 1.00 0.00 N ATOM 793 CA PRO A 61 7.575 -4.362 -41.023 1.00 0.00 C ATOM 794 C PRO A 61 8.870 -4.501 -40.221 1.00 0.00 C ATOM 795 O PRO A 61 9.064 -3.807 -39.224 1.00 0.00 O ATOM 796 CB PRO A 61 7.759 -3.593 -42.321 1.00 0.00 C ATOM 797 CG PRO A 61 7.212 -2.199 -42.060 1.00 0.00 C ATOM 798 CD PRO A 61 6.406 -2.248 -40.773 1.00 0.00 C ATOM 0 HA PRO A 61 7.265 -5.387 -41.224 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.810 -3.553 -42.606 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.225 -4.075 -43.140 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.026 -1.480 -41.973 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.586 -1.873 -42.890 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.768 -1.516 -40.051 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.355 -2.023 -40.955 1.00 0.00 H new ATOM 806 N HIS A 62 9.723 -5.402 -40.686 1.00 0.00 N ATOM 807 CA HIS A 62 10.995 -5.640 -40.024 1.00 0.00 C ATOM 808 C HIS A 62 12.133 -5.518 -41.040 1.00 0.00 C ATOM 809 O HIS A 62 13.012 -4.670 -40.893 1.00 0.00 O ATOM 810 CB HIS A 62 10.987 -6.989 -39.302 1.00 0.00 C ATOM 811 CG HIS A 62 11.990 -7.090 -38.178 1.00 0.00 C ATOM 812 ND1 HIS A 62 11.663 -6.840 -36.857 1.00 0.00 N ATOM 813 CD2 HIS A 62 13.315 -7.416 -38.192 1.00 0.00 C ATOM 814 CE1 HIS A 62 12.750 -7.010 -36.118 1.00 0.00 C ATOM 815 NE2 HIS A 62 13.772 -7.367 -36.947 1.00 0.00 N ATOM 0 H HIS A 62 9.559 -5.976 -41.513 1.00 0.00 H new ATOM 0 HA HIS A 62 11.157 -4.883 -39.256 1.00 0.00 H new ATOM 0 HB2 HIS A 62 9.989 -7.170 -38.902 1.00 0.00 H new ATOM 0 HB3 HIS A 62 11.188 -7.778 -40.026 1.00 0.00 H new ATOM 0 HD2 HIS A 62 13.894 -7.671 -39.068 1.00 0.00 H new ATOM 0 HE1 HIS A 62 12.815 -6.887 -35.047 1.00 0.00 H new ATOM 0 HE2 HIS A 62 14.730 -7.564 -36.658 1.00 0.00 H new ATOM 823 N HIS A 63 12.079 -6.376 -42.047 1.00 0.00 N ATOM 824 CA HIS A 63 13.094 -6.375 -43.087 1.00 0.00 C ATOM 825 C HIS A 63 13.469 -4.934 -43.436 1.00 0.00 C ATOM 826 O HIS A 63 14.598 -4.507 -43.197 1.00 0.00 O ATOM 827 CB HIS A 63 12.627 -7.177 -44.303 1.00 0.00 C ATOM 828 CG HIS A 63 13.630 -8.196 -44.789 1.00 0.00 C ATOM 829 ND1 HIS A 63 14.426 -8.932 -43.930 1.00 0.00 N ATOM 830 CD2 HIS A 63 13.955 -8.594 -46.052 1.00 0.00 C ATOM 831 CE1 HIS A 63 15.194 -9.733 -44.654 1.00 0.00 C ATOM 832 NE2 HIS A 63 14.901 -9.521 -45.969 1.00 0.00 N ATOM 0 H HIS A 63 11.348 -7.077 -42.165 1.00 0.00 H new ATOM 0 HA HIS A 63 13.994 -6.870 -42.722 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.697 -7.688 -44.053 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.403 -6.487 -45.116 1.00 0.00 H new ATOM 0 HD2 HIS A 63 13.517 -8.219 -46.965 1.00 0.00 H new ATOM 0 HE1 HIS A 63 15.924 -10.431 -44.270 1.00 0.00 H new ATOM 0 HE2 HIS A 63 15.337 -9.997 -46.759 1.00 0.00 H new ATOM 840 N HIS A 64 12.502 -4.223 -43.995 1.00 0.00 N ATOM 841 CA HIS A 64 12.716 -2.838 -44.379 1.00 0.00 C ATOM 842 C HIS A 64 14.091 -2.695 -45.035 1.00 0.00 C ATOM 843 O HIS A 64 15.031 -2.200 -44.415 1.00 0.00 O ATOM 844 CB HIS A 64 12.532 -1.906 -43.179 1.00 0.00 C ATOM 845 CG HIS A 64 11.487 -0.836 -43.388 1.00 0.00 C ATOM 846 ND1 HIS A 64 11.499 0.366 -42.703 1.00 0.00 N ATOM 847 CD2 HIS A 64 10.400 -0.800 -44.211 1.00 0.00 C ATOM 848 CE1 HIS A 64 10.461 1.086 -43.103 1.00 0.00 C ATOM 849 NE2 HIS A 64 9.781 0.361 -44.037 1.00 0.00 N ATOM 0 H HIS A 64 11.567 -4.580 -44.192 1.00 0.00 H new ATOM 0 HA HIS A 64 11.968 -2.541 -45.114 1.00 0.00 H new ATOM 0 HB2 HIS A 64 12.259 -2.501 -42.308 1.00 0.00 H new ATOM 0 HB3 HIS A 64 13.486 -1.429 -42.953 1.00 0.00 H new ATOM 0 HD2 HIS A 64 10.095 -1.583 -44.889 1.00 0.00 H new ATOM 0 HE1 HIS A 64 10.199 2.073 -42.751 1.00 0.00 H new ATOM 0 HE2 HIS A 64 8.936 0.662 -44.522 1.00 0.00 H new ATOM 857 N HIS A 65 14.165 -3.137 -46.282 1.00 0.00 N ATOM 858 CA HIS A 65 15.409 -3.064 -47.029 1.00 0.00 C ATOM 859 C HIS A 65 15.352 -4.028 -48.216 1.00 0.00 C ATOM 860 O HIS A 65 14.511 -4.925 -48.252 1.00 0.00 O ATOM 861 CB HIS A 65 16.608 -3.320 -46.114 1.00 0.00 C ATOM 862 CG HIS A 65 17.768 -4.005 -46.798 1.00 0.00 C ATOM 863 ND1 HIS A 65 18.605 -3.353 -47.686 1.00 0.00 N ATOM 864 CD2 HIS A 65 18.220 -5.288 -46.713 1.00 0.00 C ATOM 865 CE1 HIS A 65 19.516 -4.215 -48.112 1.00 0.00 C ATOM 866 NE2 HIS A 65 19.276 -5.415 -47.508 1.00 0.00 N ATOM 0 H HIS A 65 13.384 -3.547 -46.794 1.00 0.00 H new ATOM 0 HA HIS A 65 15.539 -2.058 -47.428 1.00 0.00 H new ATOM 0 HB2 HIS A 65 16.950 -2.369 -45.706 1.00 0.00 H new ATOM 0 HB3 HIS A 65 16.285 -3.931 -45.271 1.00 0.00 H new ATOM 0 HD2 HIS A 65 17.792 -6.069 -46.102 1.00 0.00 H new ATOM 0 HE1 HIS A 65 20.309 -4.005 -48.814 1.00 0.00 H new ATOM 0 HE2 HIS A 65 19.818 -6.268 -47.645 1.00 0.00 H new ATOM 874 N GLN A 66 16.259 -3.811 -49.157 1.00 0.00 N ATOM 875 CA GLN A 66 16.322 -4.650 -50.342 1.00 0.00 C ATOM 876 C GLN A 66 14.987 -4.616 -51.089 1.00 0.00 C ATOM 877 O GLN A 66 13.958 -4.267 -50.513 1.00 0.00 O ATOM 878 CB GLN A 66 16.711 -6.084 -49.979 1.00 0.00 C ATOM 879 CG GLN A 66 16.695 -6.987 -51.214 1.00 0.00 C ATOM 880 CD GLN A 66 17.314 -8.351 -50.904 1.00 0.00 C ATOM 881 OE1 GLN A 66 17.084 -8.944 -49.864 1.00 0.00 O ATOM 882 NE2 GLN A 66 18.111 -8.814 -51.864 1.00 0.00 N ATOM 0 H GLN A 66 16.956 -3.067 -49.123 1.00 0.00 H new ATOM 0 HA GLN A 66 17.095 -4.255 -51.002 1.00 0.00 H new ATOM 0 HB2 GLN A 66 17.705 -6.092 -49.531 1.00 0.00 H new ATOM 0 HB3 GLN A 66 16.021 -6.473 -49.231 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.670 -7.119 -51.559 1.00 0.00 H new ATOM 0 HG3 GLN A 66 17.245 -6.510 -52.025 1.00 0.00 H new ATOM 0 HE21 GLN A 66 18.261 -8.266 -52.711 1.00 0.00 H new ATOM 0 HE22 GLN A 66 18.572 -9.717 -51.753 1.00 0.00 H new ATOM 891 N THR A 67 15.047 -4.984 -52.361 1.00 0.00 N ATOM 892 CA THR A 67 13.856 -5.000 -53.192 1.00 0.00 C ATOM 893 C THR A 67 14.066 -5.905 -54.407 1.00 0.00 C ATOM 894 O THR A 67 15.177 -6.371 -54.654 1.00 0.00 O ATOM 895 CB THR A 67 13.518 -3.554 -53.562 1.00 0.00 C ATOM 896 OG1 THR A 67 13.099 -2.970 -52.332 1.00 0.00 O ATOM 897 CG2 THR A 67 12.285 -3.453 -54.462 1.00 0.00 C ATOM 0 H THR A 67 15.902 -5.273 -52.836 1.00 0.00 H new ATOM 0 HA THR A 67 13.005 -5.421 -52.656 1.00 0.00 H new ATOM 0 HB THR A 67 14.372 -3.099 -54.064 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.929 -3.677 -51.675 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.089 -2.406 -54.695 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.463 -4.003 -55.386 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.423 -3.878 -53.947 1.00 0.00 H new ATOM 905 N ARG A 68 12.980 -6.128 -55.134 1.00 0.00 N ATOM 906 CA ARG A 68 13.032 -6.969 -56.317 1.00 0.00 C ATOM 907 C ARG A 68 13.932 -6.336 -57.380 1.00 0.00 C ATOM 908 O ARG A 68 13.841 -5.138 -57.642 1.00 0.00 O ATOM 909 CB ARG A 68 11.634 -7.181 -56.903 1.00 0.00 C ATOM 910 CG ARG A 68 10.909 -5.847 -57.087 1.00 0.00 C ATOM 911 CD ARG A 68 9.692 -5.752 -56.164 1.00 0.00 C ATOM 912 NE ARG A 68 9.105 -4.396 -56.238 1.00 0.00 N ATOM 913 CZ ARG A 68 8.118 -3.954 -55.429 1.00 0.00 C ATOM 914 NH1 ARG A 68 7.600 -4.758 -54.477 1.00 0.00 N ATOM 915 NH2 ARG A 68 7.668 -2.722 -55.584 1.00 0.00 N ATOM 0 H ARG A 68 12.060 -5.741 -54.926 1.00 0.00 H new ATOM 0 HA ARG A 68 13.440 -7.935 -56.019 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.712 -7.692 -57.863 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.054 -7.827 -56.244 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.594 -5.025 -56.878 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.592 -5.741 -58.125 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.948 -6.495 -56.452 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.985 -5.975 -55.138 1.00 0.00 H new ATOM 0 HE ARG A 68 9.468 -3.755 -56.944 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.954 -5.708 -54.364 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.855 -4.416 -53.870 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.065 -2.121 -56.306 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.923 -2.372 -54.982 1.00 0.00 H new ATOM 928 N GLY A 69 14.781 -7.169 -57.963 1.00 0.00 N ATOM 929 CA GLY A 69 15.698 -6.706 -58.991 1.00 0.00 C ATOM 930 C GLY A 69 16.206 -7.874 -59.839 1.00 0.00 C ATOM 931 O GLY A 69 15.727 -8.094 -60.950 1.00 0.00 O ATOM 0 H GLY A 69 14.853 -8.162 -57.743 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.197 -5.979 -59.630 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.542 -6.195 -58.527 1.00 0.00 H new ATOM 935 N ALA A 70 17.171 -8.592 -59.282 1.00 0.00 N ATOM 936 CA ALA A 70 17.749 -9.732 -59.973 1.00 0.00 C ATOM 937 C ALA A 70 18.410 -9.255 -61.268 1.00 0.00 C ATOM 938 O ALA A 70 17.923 -9.543 -62.360 1.00 0.00 O ATOM 939 CB ALA A 70 16.665 -10.781 -60.223 1.00 0.00 C ATOM 0 H ALA A 70 17.567 -8.406 -58.360 1.00 0.00 H new ATOM 0 HA ALA A 70 18.520 -10.201 -59.362 1.00 0.00 H new ATOM 0 HB1 ALA A 70 17.099 -11.636 -60.741 1.00 0.00 H new ATOM 0 HB2 ALA A 70 16.248 -11.108 -59.270 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.874 -10.348 -60.836 1.00 0.00 H new ATOM 945 N TYR A 71 19.510 -8.535 -61.103 1.00 0.00 N ATOM 946 CA TYR A 71 20.243 -8.016 -62.245 1.00 0.00 C ATOM 947 C TYR A 71 21.672 -8.563 -62.275 1.00 0.00 C ATOM 948 O TYR A 71 22.209 -8.962 -61.242 1.00 0.00 O ATOM 949 CB TYR A 71 20.294 -6.498 -62.060 1.00 0.00 C ATOM 950 CG TYR A 71 19.129 -5.752 -62.712 1.00 0.00 C ATOM 951 CD1 TYR A 71 19.018 -5.712 -64.087 1.00 0.00 C ATOM 952 CD2 TYR A 71 18.188 -5.119 -61.925 1.00 0.00 C ATOM 953 CE1 TYR A 71 17.921 -5.010 -64.700 1.00 0.00 C ATOM 954 CE2 TYR A 71 17.091 -4.416 -62.538 1.00 0.00 C ATOM 955 CZ TYR A 71 17.012 -4.396 -63.896 1.00 0.00 C ATOM 956 OH TYR A 71 15.975 -3.733 -64.475 1.00 0.00 O ATOM 0 H TYR A 71 19.911 -8.299 -60.195 1.00 0.00 H new ATOM 0 HA TYR A 71 19.757 -8.307 -63.176 1.00 0.00 H new ATOM 0 HB2 TYR A 71 20.305 -6.273 -60.994 1.00 0.00 H new ATOM 0 HB3 TYR A 71 21.230 -6.123 -62.475 1.00 0.00 H new ATOM 0 HD1 TYR A 71 19.754 -6.207 -64.703 1.00 0.00 H new ATOM 0 HD2 TYR A 71 18.275 -5.151 -60.849 1.00 0.00 H new ATOM 0 HE1 TYR A 71 17.822 -4.972 -65.775 1.00 0.00 H new ATOM 0 HE2 TYR A 71 16.348 -3.916 -61.934 1.00 0.00 H new ATOM 0 HH TYR A 71 15.405 -3.345 -63.779 1.00 0.00 H new ATOM 966 N SER A 72 22.247 -8.564 -63.468 1.00 0.00 N ATOM 967 CA SER A 72 23.603 -9.055 -63.645 1.00 0.00 C ATOM 968 C SER A 72 24.452 -8.001 -64.358 1.00 0.00 C ATOM 969 O SER A 72 25.447 -7.527 -63.811 1.00 0.00 O ATOM 970 CB SER A 72 23.615 -10.367 -64.433 1.00 0.00 C ATOM 971 OG SER A 72 23.117 -11.457 -63.662 1.00 0.00 O ATOM 0 H SER A 72 21.799 -8.232 -64.322 1.00 0.00 H new ATOM 0 HA SER A 72 24.028 -9.250 -62.660 1.00 0.00 H new ATOM 0 HB2 SER A 72 23.012 -10.254 -65.334 1.00 0.00 H new ATOM 0 HB3 SER A 72 24.633 -10.587 -64.756 1.00 0.00 H new ATOM 0 HG SER A 72 23.139 -12.276 -64.200 1.00 0.00 H new ATOM 977 N SER A 73 24.029 -7.664 -65.567 1.00 0.00 N ATOM 978 CA SER A 73 24.739 -6.675 -66.360 1.00 0.00 C ATOM 979 C SER A 73 23.946 -6.354 -67.629 1.00 0.00 C ATOM 980 O SER A 73 23.240 -7.212 -68.157 1.00 0.00 O ATOM 981 CB SER A 73 26.144 -7.162 -66.721 1.00 0.00 C ATOM 982 OG SER A 73 27.156 -6.426 -66.040 1.00 0.00 O ATOM 0 H SER A 73 23.203 -8.058 -66.017 1.00 0.00 H new ATOM 0 HA SER A 73 24.841 -5.768 -65.763 1.00 0.00 H new ATOM 0 HB2 SER A 73 26.236 -8.219 -66.473 1.00 0.00 H new ATOM 0 HB3 SER A 73 26.293 -7.073 -67.797 1.00 0.00 H new ATOM 0 HG SER A 73 27.019 -6.499 -65.072 1.00 0.00 H new ATOM 988 N HIS A 74 24.089 -5.117 -68.081 1.00 0.00 N ATOM 989 CA HIS A 74 23.395 -4.672 -69.278 1.00 0.00 C ATOM 990 C HIS A 74 21.936 -5.128 -69.223 1.00 0.00 C ATOM 991 O HIS A 74 21.512 -5.963 -70.021 1.00 0.00 O ATOM 992 CB HIS A 74 24.120 -5.153 -70.536 1.00 0.00 C ATOM 993 CG HIS A 74 24.106 -4.157 -71.671 1.00 0.00 C ATOM 994 ND1 HIS A 74 24.613 -2.875 -71.550 1.00 0.00 N ATOM 995 CD2 HIS A 74 23.643 -4.269 -72.949 1.00 0.00 C ATOM 996 CE1 HIS A 74 24.455 -2.252 -72.709 1.00 0.00 C ATOM 997 NE2 HIS A 74 23.854 -3.117 -73.574 1.00 0.00 N ATOM 0 H HIS A 74 24.675 -4.408 -67.640 1.00 0.00 H new ATOM 0 HA HIS A 74 23.398 -3.583 -69.322 1.00 0.00 H new ATOM 0 HB2 HIS A 74 25.154 -5.384 -70.281 1.00 0.00 H new ATOM 0 HB3 HIS A 74 23.661 -6.082 -70.875 1.00 0.00 H new ATOM 0 HD2 HIS A 74 23.183 -5.146 -73.379 1.00 0.00 H new ATOM 0 HE1 HIS A 74 24.751 -1.237 -72.929 1.00 0.00 H new ATOM 0 HE2 HIS A 74 23.607 -2.913 -74.542 1.00 0.00 H new ATOM 1005 N ASP A 75 21.207 -4.559 -68.274 1.00 0.00 N ATOM 1006 CA ASP A 75 19.804 -4.896 -68.106 1.00 0.00 C ATOM 1007 C ASP A 75 19.670 -6.402 -67.865 1.00 0.00 C ATOM 1008 O ASP A 75 18.821 -6.837 -67.089 1.00 0.00 O ATOM 1009 CB ASP A 75 18.998 -4.545 -69.358 1.00 0.00 C ATOM 1010 CG ASP A 75 17.710 -3.760 -69.099 1.00 0.00 C ATOM 1011 OD1 ASP A 75 17.734 -2.671 -68.508 1.00 0.00 O ATOM 1012 OD2 ASP A 75 16.634 -4.320 -69.538 1.00 0.00 O ATOM 0 H ASP A 75 21.562 -3.867 -67.614 1.00 0.00 H new ATOM 0 HA ASP A 75 19.421 -4.327 -67.259 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.631 -3.964 -70.028 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.745 -5.468 -69.879 1.00 0.00 H new TER 1018 ASP A 75