USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 CYS SG : rot -69:sc= 1.33 USER MOD Set 1.2: A 51 CYS SG : rot 82:sc= 1.34 USER MOD Set 2.1: A 13 CYS SG : rot 91:sc= 1.31 USER MOD Set 2.2: A 25 CYS SG : rot 59:sc= 2.26 USER MOD Set 2.3: A 38 CYS SG : rot -88:sc= 1.23 USER MOD Set 2.4: A 42 CYS SG : rot 140:sc= 1.57 USER MOD Set 3.1: A 27 ASN : amide:sc= 0.111 K(o=2.4,f=-1.8!) USER MOD Set 3.2: A 34 CYS SG : rot 92:sc= 0.719 USER MOD Set 3.3: A 60 CYS SG : rot -104:sc= 1.59 USER MOD Set 4.1: A 1 THR OG1 : rot -135:sc= 0.6 USER MOD Set 4.2: A 6 HIS : no HE2:sc= -0.967 K(o=-0.37,f=-4.8!) USER MOD Single : A 1 THR N :NH3+ -152:sc= 0.037 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.588! X(o=-0.59!,f=-0.79) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0483 USER MOD Single : A 12 ASN : amide:sc= 0.0896 X(o=0.09,f=0) USER MOD Single : A 15 TYR OH : rot -106:sc= 0.1 USER MOD Single : A 16 THR OG1 : rot 41:sc= 0.0837 USER MOD Single : A 17 ASN : amide:sc=-0.00172 X(o=-0.0017,f=0) USER MOD Single : A 18 SER OG : rot -148:sc= 0.712 USER MOD Single : A 19 GLN : amide:sc= -0.77 K(o=-0.77,f=0.082) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -79:sc= 0.0312 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.61 K(o=1.6,f=-0.0021) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -25:sc= 0.022 USER MOD Single : A 40 ASN : amide:sc= -1.03 K(o=-1,f=-0.18) USER MOD Single : A 46 THR OG1 : rot 86:sc= 1.22 USER MOD Single : A 48 THR OG1 : rot 80:sc= 0.746 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 58 ASN : amide:sc= -2! C(o=-2!,f=-1.1!) USER MOD Single : A 59 SER OG : rot 170:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -6.127 -2.081 10.932 1.00 0.00 N ATOM 2 CA THR A 1 -6.612 -0.709 10.709 1.00 0.00 C ATOM 3 C THR A 1 -7.185 -0.615 9.284 1.00 0.00 C ATOM 4 O THR A 1 -7.031 -1.570 8.517 1.00 0.00 O ATOM 5 CB THR A 1 -5.490 0.294 11.040 1.00 0.00 C ATOM 6 OG1 THR A 1 -5.962 1.214 11.998 1.00 0.00 O ATOM 7 CG2 THR A 1 -4.866 1.006 9.833 1.00 0.00 C ATOM 0 H1 THR A 1 -6.184 -2.309 11.945 1.00 0.00 H new ATOM 0 H2 THR A 1 -6.715 -2.749 10.394 1.00 0.00 H new ATOM 0 H3 THR A 1 -5.139 -2.156 10.615 1.00 0.00 H new ATOM 0 HA THR A 1 -7.431 -0.446 11.378 1.00 0.00 H new ATOM 0 HB THR A 1 -4.665 -0.292 11.445 1.00 0.00 H new ATOM 0 HG1 THR A 1 -5.699 2.121 11.738 1.00 0.00 H new ATOM 0 HG21 THR A 1 -4.088 1.689 10.175 1.00 0.00 H new ATOM 0 HG22 THR A 1 -4.430 0.267 9.160 1.00 0.00 H new ATOM 0 HG23 THR A 1 -5.636 1.569 9.305 1.00 0.00 H new ATOM 15 N ASP A 2 -7.827 0.498 8.922 1.00 0.00 N ATOM 16 CA ASP A 2 -8.313 0.786 7.571 1.00 0.00 C ATOM 17 C ASP A 2 -7.499 1.943 6.959 1.00 0.00 C ATOM 18 O ASP A 2 -7.135 2.857 7.695 1.00 0.00 O ATOM 19 CB ASP A 2 -9.801 1.147 7.668 1.00 0.00 C ATOM 20 CG ASP A 2 -10.520 0.888 6.351 1.00 0.00 C ATOM 21 OD1 ASP A 2 -10.545 -0.287 5.897 1.00 0.00 O ATOM 22 OD2 ASP A 2 -11.069 1.823 5.739 1.00 0.00 O ATOM 0 H ASP A 2 -8.029 1.248 9.583 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.192 -0.082 6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.268 0.563 8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.906 2.197 7.942 1.00 0.00 H new ATOM 27 N PRO A 3 -7.190 1.962 5.647 1.00 0.00 N ATOM 28 CA PRO A 3 -6.297 2.964 5.049 1.00 0.00 C ATOM 29 C PRO A 3 -6.947 4.340 4.907 1.00 0.00 C ATOM 30 O PRO A 3 -6.294 5.304 4.512 1.00 0.00 O ATOM 31 CB PRO A 3 -5.943 2.413 3.671 1.00 0.00 C ATOM 32 CG PRO A 3 -7.186 1.616 3.288 1.00 0.00 C ATOM 33 CD PRO A 3 -7.654 1.044 4.623 1.00 0.00 C ATOM 0 HA PRO A 3 -5.428 3.119 5.688 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.740 3.212 2.957 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.054 1.783 3.705 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.947 2.250 2.832 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.955 0.829 2.571 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.740 0.952 4.647 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.246 0.046 4.782 1.00 0.00 H new ATOM 41 N GLU A 4 -8.237 4.421 5.204 1.00 0.00 N ATOM 42 CA GLU A 4 -9.012 5.644 5.157 1.00 0.00 C ATOM 43 C GLU A 4 -8.372 6.738 6.014 1.00 0.00 C ATOM 44 O GLU A 4 -8.285 7.900 5.615 1.00 0.00 O ATOM 45 CB GLU A 4 -10.406 5.319 5.704 1.00 0.00 C ATOM 46 CG GLU A 4 -11.409 6.448 5.417 1.00 0.00 C ATOM 47 CD GLU A 4 -11.513 6.717 3.910 1.00 0.00 C ATOM 48 OE1 GLU A 4 -12.098 5.891 3.179 1.00 0.00 O ATOM 49 OE2 GLU A 4 -10.928 7.717 3.422 1.00 0.00 O ATOM 0 H GLU A 4 -8.785 3.611 5.492 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.059 6.012 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.765 4.392 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.345 5.152 6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.389 6.178 5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.097 7.357 5.932 1.00 0.00 H new ATOM 56 N GLU A 5 -7.938 6.362 7.213 1.00 0.00 N ATOM 57 CA GLU A 5 -7.676 7.291 8.302 1.00 0.00 C ATOM 58 C GLU A 5 -6.183 7.362 8.634 1.00 0.00 C ATOM 59 O GLU A 5 -5.799 7.917 9.664 1.00 0.00 O ATOM 60 CB GLU A 5 -8.607 6.921 9.466 1.00 0.00 C ATOM 61 CG GLU A 5 -8.188 5.740 10.338 1.00 0.00 C ATOM 62 CD GLU A 5 -9.175 5.418 11.452 1.00 0.00 C ATOM 63 OE1 GLU A 5 -10.137 6.203 11.653 1.00 0.00 O ATOM 64 OE2 GLU A 5 -8.997 4.357 12.090 1.00 0.00 O ATOM 0 H GLU A 5 -7.756 5.388 7.457 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.909 8.319 8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.712 7.796 10.108 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.594 6.706 9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.067 4.860 9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.214 5.953 10.779 1.00 0.00 H new ATOM 71 N HIS A 6 -5.361 6.792 7.751 1.00 0.00 N ATOM 72 CA HIS A 6 -3.933 6.597 7.879 1.00 0.00 C ATOM 73 C HIS A 6 -3.309 7.014 6.562 1.00 0.00 C ATOM 74 O HIS A 6 -3.569 6.382 5.542 1.00 0.00 O ATOM 75 CB HIS A 6 -3.646 5.116 8.147 1.00 0.00 C ATOM 76 CG HIS A 6 -4.052 4.699 9.526 1.00 0.00 C ATOM 77 ND1 HIS A 6 -3.203 4.659 10.600 1.00 0.00 N ATOM 78 CD2 HIS A 6 -5.314 4.388 9.957 1.00 0.00 C ATOM 79 CE1 HIS A 6 -3.936 4.334 11.673 1.00 0.00 C ATOM 80 NE2 HIS A 6 -5.227 4.165 11.342 1.00 0.00 N ATOM 0 H HIS A 6 -5.712 6.431 6.864 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.525 7.183 8.702 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -4.176 4.507 7.415 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.582 4.924 8.010 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -2.200 4.842 10.585 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.205 4.326 9.350 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.541 4.223 12.672 1.00 0.00 H new ATOM 88 N PHE A 7 -2.494 8.063 6.564 1.00 0.00 N ATOM 89 CA PHE A 7 -1.795 8.528 5.384 1.00 0.00 C ATOM 90 C PHE A 7 -0.642 9.379 5.904 1.00 0.00 C ATOM 91 O PHE A 7 -0.896 10.293 6.697 1.00 0.00 O ATOM 92 CB PHE A 7 -2.770 9.348 4.515 1.00 0.00 C ATOM 93 CG PHE A 7 -2.534 9.314 3.018 1.00 0.00 C ATOM 94 CD1 PHE A 7 -1.263 9.071 2.462 1.00 0.00 C ATOM 95 CD2 PHE A 7 -3.627 9.548 2.162 1.00 0.00 C ATOM 96 CE1 PHE A 7 -1.096 9.040 1.071 1.00 0.00 C ATOM 97 CE2 PHE A 7 -3.450 9.559 0.770 1.00 0.00 C ATOM 98 CZ PHE A 7 -2.190 9.275 0.226 1.00 0.00 C ATOM 0 H PHE A 7 -2.302 8.617 7.398 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.417 7.718 4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.782 8.992 4.709 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.729 10.387 4.843 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.414 8.908 3.110 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.608 9.720 2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.123 8.835 0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.282 9.786 0.120 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.061 9.237 -0.846 1.00 0.00 H new ATOM 108 N ASP A 8 0.603 9.074 5.534 1.00 0.00 N ATOM 109 CA ASP A 8 1.731 9.971 5.795 1.00 0.00 C ATOM 110 C ASP A 8 2.830 9.726 4.753 1.00 0.00 C ATOM 111 O ASP A 8 3.798 9.010 5.032 1.00 0.00 O ATOM 112 CB ASP A 8 2.264 9.829 7.228 1.00 0.00 C ATOM 113 CG ASP A 8 3.266 10.941 7.562 1.00 0.00 C ATOM 114 OD1 ASP A 8 3.284 11.991 6.875 1.00 0.00 O ATOM 115 OD2 ASP A 8 3.921 10.862 8.627 1.00 0.00 O ATOM 0 H ASP A 8 0.856 8.211 5.052 1.00 0.00 H new ATOM 0 HA ASP A 8 1.382 11.000 5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.433 9.862 7.932 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.743 8.857 7.345 1.00 0.00 H new ATOM 120 N PRO A 9 2.644 10.244 3.524 1.00 0.00 N ATOM 121 CA PRO A 9 3.491 9.930 2.386 1.00 0.00 C ATOM 122 C PRO A 9 4.871 10.555 2.558 1.00 0.00 C ATOM 123 O PRO A 9 4.996 11.783 2.614 1.00 0.00 O ATOM 124 CB PRO A 9 2.775 10.481 1.152 1.00 0.00 C ATOM 125 CG PRO A 9 1.794 11.527 1.682 1.00 0.00 C ATOM 126 CD PRO A 9 1.604 11.196 3.154 1.00 0.00 C ATOM 0 HA PRO A 9 3.650 8.856 2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.483 10.926 0.453 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.252 9.689 0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.188 12.535 1.554 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.847 11.485 1.145 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.675 12.098 3.762 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.615 10.771 3.327 1.00 0.00 H new ATOM 134 N ASN A 10 5.912 9.719 2.560 1.00 0.00 N ATOM 135 CA ASN A 10 7.297 10.191 2.534 1.00 0.00 C ATOM 136 C ASN A 10 7.568 10.896 1.207 1.00 0.00 C ATOM 137 O ASN A 10 6.741 10.864 0.285 1.00 0.00 O ATOM 138 CB ASN A 10 8.314 9.046 2.691 1.00 0.00 C ATOM 139 CG ASN A 10 8.009 8.098 3.835 1.00 0.00 C ATOM 140 OD1 ASN A 10 7.718 8.513 4.951 1.00 0.00 O ATOM 141 ND2 ASN A 10 8.085 6.818 3.562 1.00 0.00 N ATOM 0 H ASN A 10 5.819 8.703 2.580 1.00 0.00 H new ATOM 0 HA ASN A 10 7.419 10.871 3.377 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.350 8.477 1.762 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.305 9.473 2.842 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.899 6.129 4.291 1.00 0.00 H new ATOM 0 HD22 ASN A 10 8.330 6.511 2.621 1.00 0.00 H new ATOM 148 N THR A 11 8.756 11.475 1.060 1.00 0.00 N ATOM 149 CA THR A 11 9.282 12.046 -0.177 1.00 0.00 C ATOM 150 C THR A 11 9.609 10.952 -1.215 1.00 0.00 C ATOM 151 O THR A 11 10.742 10.826 -1.682 1.00 0.00 O ATOM 152 CB THR A 11 10.489 12.928 0.170 1.00 0.00 C ATOM 153 OG1 THR A 11 11.384 12.220 1.009 1.00 0.00 O ATOM 154 CG2 THR A 11 10.100 14.216 0.904 1.00 0.00 C ATOM 0 H THR A 11 9.410 11.563 1.838 1.00 0.00 H new ATOM 0 HA THR A 11 8.525 12.669 -0.652 1.00 0.00 H new ATOM 0 HB THR A 11 10.949 13.192 -0.782 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.152 12.790 1.224 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.997 14.796 1.121 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.431 14.804 0.276 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.595 13.965 1.837 1.00 0.00 H new ATOM 162 N ASN A 12 8.623 10.121 -1.551 1.00 0.00 N ATOM 163 CA ASN A 12 8.665 9.108 -2.593 1.00 0.00 C ATOM 164 C ASN A 12 7.282 8.990 -3.240 1.00 0.00 C ATOM 165 O ASN A 12 7.195 8.769 -4.451 1.00 0.00 O ATOM 166 CB ASN A 12 9.099 7.753 -1.999 1.00 0.00 C ATOM 167 CG ASN A 12 9.740 6.815 -3.007 1.00 0.00 C ATOM 168 OD1 ASN A 12 10.714 6.132 -2.705 1.00 0.00 O ATOM 169 ND2 ASN A 12 9.193 6.708 -4.200 1.00 0.00 N ATOM 0 H ASN A 12 7.723 10.142 -1.072 1.00 0.00 H new ATOM 0 HA ASN A 12 9.392 9.397 -3.352 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.803 7.933 -1.186 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.228 7.263 -1.564 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.579 6.054 -4.881 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.384 7.279 -4.443 1.00 0.00 H new ATOM 176 N CYS A 13 6.208 9.081 -2.439 1.00 0.00 N ATOM 177 CA CYS A 13 4.853 8.807 -2.896 1.00 0.00 C ATOM 178 C CYS A 13 4.392 9.755 -4.009 1.00 0.00 C ATOM 179 O CYS A 13 4.725 10.948 -4.010 1.00 0.00 O ATOM 180 CB CYS A 13 3.883 8.873 -1.712 1.00 0.00 C ATOM 181 SG CYS A 13 2.302 8.047 -2.014 1.00 0.00 S ATOM 0 H CYS A 13 6.264 9.348 -1.456 1.00 0.00 H new ATOM 0 HA CYS A 13 4.857 7.804 -3.322 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.357 8.421 -0.841 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.695 9.918 -1.467 1.00 0.00 H new ATOM 0 HG CYS A 13 2.381 6.806 -1.634 1.00 0.00 H new ATOM 186 N ASP A 14 3.576 9.213 -4.919 1.00 0.00 N ATOM 187 CA ASP A 14 2.898 9.936 -5.990 1.00 0.00 C ATOM 188 C ASP A 14 1.420 10.079 -5.630 1.00 0.00 C ATOM 189 O ASP A 14 0.951 11.195 -5.415 1.00 0.00 O ATOM 190 CB ASP A 14 3.042 9.231 -7.350 1.00 0.00 C ATOM 191 CG ASP A 14 4.470 9.138 -7.868 1.00 0.00 C ATOM 192 OD1 ASP A 14 5.247 10.109 -7.728 1.00 0.00 O ATOM 193 OD2 ASP A 14 4.819 8.064 -8.409 1.00 0.00 O ATOM 0 H ASP A 14 3.364 8.215 -4.926 1.00 0.00 H new ATOM 0 HA ASP A 14 3.364 10.916 -6.088 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.633 8.224 -7.267 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.437 9.761 -8.085 1.00 0.00 H new ATOM 198 N TYR A 15 0.688 8.964 -5.533 1.00 0.00 N ATOM 199 CA TYR A 15 -0.767 8.942 -5.402 1.00 0.00 C ATOM 200 C TYR A 15 -1.203 9.497 -4.055 1.00 0.00 C ATOM 201 O TYR A 15 -0.853 8.949 -3.013 1.00 0.00 O ATOM 202 CB TYR A 15 -1.292 7.511 -5.575 1.00 0.00 C ATOM 203 CG TYR A 15 -0.864 6.908 -6.889 1.00 0.00 C ATOM 204 CD1 TYR A 15 -1.386 7.421 -8.086 1.00 0.00 C ATOM 205 CD2 TYR A 15 0.129 5.915 -6.911 1.00 0.00 C ATOM 206 CE1 TYR A 15 -0.834 7.015 -9.316 1.00 0.00 C ATOM 207 CE2 TYR A 15 0.650 5.466 -8.136 1.00 0.00 C ATOM 208 CZ TYR A 15 0.184 6.032 -9.345 1.00 0.00 C ATOM 209 OH TYR A 15 0.646 5.585 -10.542 1.00 0.00 O ATOM 0 H TYR A 15 1.103 8.032 -5.544 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.187 9.575 -6.184 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.929 6.890 -4.756 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.380 7.514 -5.515 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.206 8.123 -8.064 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.493 5.496 -5.985 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.187 7.454 -10.237 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.403 4.692 -8.154 1.00 0.00 H new ATOM 0 HH TYR A 15 0.306 4.681 -10.707 1.00 0.00 H new ATOM 219 N THR A 16 -2.006 10.552 -4.072 1.00 0.00 N ATOM 220 CA THR A 16 -2.510 11.251 -2.898 1.00 0.00 C ATOM 221 C THR A 16 -3.888 10.751 -2.444 1.00 0.00 C ATOM 222 O THR A 16 -4.570 11.449 -1.689 1.00 0.00 O ATOM 223 CB THR A 16 -2.506 12.753 -3.200 1.00 0.00 C ATOM 224 OG1 THR A 16 -2.940 12.987 -4.529 1.00 0.00 O ATOM 225 CG2 THR A 16 -1.095 13.324 -3.083 1.00 0.00 C ATOM 0 H THR A 16 -2.339 10.962 -4.944 1.00 0.00 H new ATOM 0 HA THR A 16 -1.854 11.042 -2.053 1.00 0.00 H new ATOM 0 HB THR A 16 -3.172 13.231 -2.482 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.692 12.394 -4.737 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.115 14.392 -3.302 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.722 13.168 -2.071 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.439 12.821 -3.793 1.00 0.00 H new ATOM 233 N ASN A 17 -4.310 9.546 -2.855 1.00 0.00 N ATOM 234 CA ASN A 17 -5.561 8.952 -2.384 1.00 0.00 C ATOM 235 C ASN A 17 -5.278 7.551 -1.878 1.00 0.00 C ATOM 236 O ASN A 17 -4.579 6.778 -2.537 1.00 0.00 O ATOM 237 CB ASN A 17 -6.656 8.868 -3.446 1.00 0.00 C ATOM 238 CG ASN A 17 -6.939 10.187 -4.135 1.00 0.00 C ATOM 239 OD1 ASN A 17 -7.855 10.921 -3.774 1.00 0.00 O ATOM 240 ND2 ASN A 17 -6.142 10.485 -5.141 1.00 0.00 N ATOM 0 H ASN A 17 -3.796 8.964 -3.517 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.934 9.610 -1.599 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.367 8.131 -4.196 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.573 8.507 -2.981 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.273 11.356 -5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.394 9.845 -5.406 1.00 0.00 H new ATOM 247 N SER A 18 -5.920 7.207 -0.774 1.00 0.00 N ATOM 248 CA SER A 18 -5.829 5.929 -0.073 1.00 0.00 C ATOM 249 C SER A 18 -6.531 4.797 -0.830 1.00 0.00 C ATOM 250 O SER A 18 -6.540 3.664 -0.345 1.00 0.00 O ATOM 251 CB SER A 18 -6.406 6.053 1.347 1.00 0.00 C ATOM 252 OG SER A 18 -5.535 6.781 2.190 1.00 0.00 O ATOM 0 H SER A 18 -6.561 7.852 -0.311 1.00 0.00 H new ATOM 0 HA SER A 18 -4.771 5.673 -0.013 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.376 6.549 1.306 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.573 5.059 1.763 1.00 0.00 H new ATOM 0 HG SER A 18 -5.612 6.446 3.108 1.00 0.00 H new ATOM 258 N GLN A 19 -7.112 5.056 -2.006 1.00 0.00 N ATOM 259 CA GLN A 19 -7.589 4.016 -2.899 1.00 0.00 C ATOM 260 C GLN A 19 -6.522 3.700 -3.944 1.00 0.00 C ATOM 261 O GLN A 19 -6.034 2.576 -3.975 1.00 0.00 O ATOM 262 CB GLN A 19 -8.951 4.395 -3.501 1.00 0.00 C ATOM 263 CG GLN A 19 -9.996 3.287 -3.300 1.00 0.00 C ATOM 264 CD GLN A 19 -9.630 2.010 -4.054 1.00 0.00 C ATOM 265 OE1 GLN A 19 -9.958 1.863 -5.224 1.00 0.00 O ATOM 266 NE2 GLN A 19 -8.949 1.066 -3.422 1.00 0.00 N ATOM 0 H GLN A 19 -7.261 6.001 -2.359 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.761 3.097 -2.339 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.307 5.317 -3.041 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.834 4.594 -4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.090 3.066 -2.237 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.970 3.641 -3.639 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.680 1.197 -2.447 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.694 0.208 -3.910 1.00 0.00 H new ATOM 275 N ASP A 20 -6.122 4.675 -4.765 1.00 0.00 N ATOM 276 CA ASP A 20 -5.136 4.460 -5.831 1.00 0.00 C ATOM 277 C ASP A 20 -3.794 4.028 -5.247 1.00 0.00 C ATOM 278 O ASP A 20 -3.246 3.021 -5.687 1.00 0.00 O ATOM 279 CB ASP A 20 -4.944 5.722 -6.689 1.00 0.00 C ATOM 280 CG ASP A 20 -5.806 5.785 -7.955 1.00 0.00 C ATOM 281 OD1 ASP A 20 -6.706 4.942 -8.161 1.00 0.00 O ATOM 282 OD2 ASP A 20 -5.602 6.727 -8.758 1.00 0.00 O ATOM 0 H ASP A 20 -6.470 5.632 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.522 3.666 -6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.162 6.596 -6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.895 5.790 -6.978 1.00 0.00 H new ATOM 287 N ALA A 21 -3.269 4.744 -4.243 1.00 0.00 N ATOM 288 CA ALA A 21 -2.019 4.365 -3.594 1.00 0.00 C ATOM 289 C ALA A 21 -2.110 2.925 -3.099 1.00 0.00 C ATOM 290 O ALA A 21 -1.260 2.107 -3.438 1.00 0.00 O ATOM 291 CB ALA A 21 -1.698 5.317 -2.437 1.00 0.00 C ATOM 0 H ALA A 21 -3.697 5.590 -3.866 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.210 4.437 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.762 5.016 -1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.602 6.334 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.502 5.280 -1.701 1.00 0.00 H new ATOM 297 N TRP A 22 -3.168 2.613 -2.343 1.00 0.00 N ATOM 298 CA TRP A 22 -3.409 1.299 -1.773 1.00 0.00 C ATOM 299 C TRP A 22 -3.422 0.237 -2.862 1.00 0.00 C ATOM 300 O TRP A 22 -2.602 -0.667 -2.819 1.00 0.00 O ATOM 301 CB TRP A 22 -4.723 1.324 -0.999 1.00 0.00 C ATOM 302 CG TRP A 22 -5.225 0.022 -0.467 1.00 0.00 C ATOM 303 CD1 TRP A 22 -5.980 -0.865 -1.149 1.00 0.00 C ATOM 304 CD2 TRP A 22 -5.090 -0.522 0.874 1.00 0.00 C ATOM 305 NE1 TRP A 22 -6.337 -1.905 -0.318 1.00 0.00 N ATOM 306 CE2 TRP A 22 -5.834 -1.735 0.952 1.00 0.00 C ATOM 307 CE3 TRP A 22 -4.444 -0.084 2.042 1.00 0.00 C ATOM 308 CZ2 TRP A 22 -5.942 -2.471 2.140 1.00 0.00 C ATOM 309 CZ3 TRP A 22 -4.589 -0.780 3.253 1.00 0.00 C ATOM 310 CH2 TRP A 22 -5.330 -1.969 3.299 1.00 0.00 C ATOM 0 H TRP A 22 -3.894 3.290 -2.109 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.603 1.044 -1.085 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -4.608 2.010 -0.160 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.491 1.742 -1.650 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.261 -0.774 -2.188 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.904 -2.702 -0.608 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.826 0.801 2.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.485 -3.405 2.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.128 -0.398 4.152 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -5.431 -2.502 4.233 1.00 0.00 H new ATOM 321 N ASP A 23 -4.324 0.321 -3.838 1.00 0.00 N ATOM 322 CA ASP A 23 -4.497 -0.707 -4.868 1.00 0.00 C ATOM 323 C ASP A 23 -3.174 -0.989 -5.581 1.00 0.00 C ATOM 324 O ASP A 23 -2.864 -2.131 -5.934 1.00 0.00 O ATOM 325 CB ASP A 23 -5.589 -0.282 -5.856 1.00 0.00 C ATOM 326 CG ASP A 23 -7.009 -0.675 -5.398 1.00 0.00 C ATOM 327 OD1 ASP A 23 -7.201 -1.301 -4.327 1.00 0.00 O ATOM 328 OD2 ASP A 23 -7.993 -0.348 -6.092 1.00 0.00 O ATOM 0 H ASP A 23 -4.962 1.111 -3.939 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.813 -1.635 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.545 0.798 -5.994 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.389 -0.736 -6.827 1.00 0.00 H new ATOM 333 N TYR A 24 -2.346 0.038 -5.753 1.00 0.00 N ATOM 334 CA TYR A 24 -1.050 -0.136 -6.356 1.00 0.00 C ATOM 335 C TYR A 24 -0.102 -0.826 -5.353 1.00 0.00 C ATOM 336 O TYR A 24 0.508 -1.837 -5.703 1.00 0.00 O ATOM 337 CB TYR A 24 -0.561 1.218 -6.884 1.00 0.00 C ATOM 338 CG TYR A 24 -1.209 1.648 -8.202 1.00 0.00 C ATOM 339 CD1 TYR A 24 -2.612 1.739 -8.349 1.00 0.00 C ATOM 340 CD2 TYR A 24 -0.392 2.003 -9.291 1.00 0.00 C ATOM 341 CE1 TYR A 24 -3.190 2.193 -9.546 1.00 0.00 C ATOM 342 CE2 TYR A 24 -0.961 2.436 -10.504 1.00 0.00 C ATOM 343 CZ TYR A 24 -2.363 2.546 -10.637 1.00 0.00 C ATOM 344 OH TYR A 24 -2.890 3.089 -11.769 1.00 0.00 O ATOM 0 H TYR A 24 -2.560 0.997 -5.479 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.090 -0.800 -7.220 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.756 1.981 -6.130 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.519 1.173 -7.021 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.251 1.454 -7.526 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.682 1.943 -9.196 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.264 2.272 -9.633 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.322 2.686 -11.338 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.172 3.268 -12.411 1.00 0.00 H new ATOM 354 N CYS A 25 -0.026 -0.371 -4.093 1.00 0.00 N ATOM 355 CA CYS A 25 0.751 -1.018 -3.021 1.00 0.00 C ATOM 356 C CYS A 25 0.447 -2.520 -2.912 1.00 0.00 C ATOM 357 O CYS A 25 1.355 -3.338 -2.743 1.00 0.00 O ATOM 358 CB CYS A 25 0.443 -0.428 -1.631 1.00 0.00 C ATOM 359 SG CYS A 25 0.759 1.316 -1.273 1.00 0.00 S ATOM 0 H CYS A 25 -0.511 0.471 -3.784 1.00 0.00 H new ATOM 0 HA CYS A 25 1.791 -0.843 -3.297 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.614 -0.609 -1.434 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.007 -1.011 -0.904 1.00 0.00 H new ATOM 0 HG CYS A 25 0.078 2.058 -2.095 1.00 0.00 H new ATOM 364 N THR A 26 -0.835 -2.877 -2.955 1.00 0.00 N ATOM 365 CA THR A 26 -1.368 -4.210 -2.703 1.00 0.00 C ATOM 366 C THR A 26 -1.216 -5.110 -3.943 1.00 0.00 C ATOM 367 O THR A 26 -1.493 -6.311 -3.886 1.00 0.00 O ATOM 368 CB THR A 26 -2.799 -4.053 -2.162 1.00 0.00 C ATOM 369 OG1 THR A 26 -3.658 -3.495 -3.131 1.00 0.00 O ATOM 370 CG2 THR A 26 -2.798 -3.171 -0.900 1.00 0.00 C ATOM 0 H THR A 26 -1.569 -2.205 -3.179 1.00 0.00 H new ATOM 0 HA THR A 26 -0.799 -4.738 -1.938 1.00 0.00 H new ATOM 0 HB THR A 26 -3.168 -5.047 -1.910 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.520 -2.526 -3.171 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.817 -3.068 -0.527 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.176 -3.633 -0.133 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.400 -2.186 -1.145 1.00 0.00 H new ATOM 378 N ASN A 27 -0.719 -4.557 -5.063 1.00 0.00 N ATOM 379 CA ASN A 27 -0.695 -5.184 -6.385 1.00 0.00 C ATOM 380 C ASN A 27 -2.097 -5.667 -6.772 1.00 0.00 C ATOM 381 O ASN A 27 -2.268 -6.668 -7.465 1.00 0.00 O ATOM 382 CB ASN A 27 0.394 -6.265 -6.443 1.00 0.00 C ATOM 383 CG ASN A 27 0.759 -6.757 -7.839 1.00 0.00 C ATOM 384 OD1 ASN A 27 0.188 -6.391 -8.853 1.00 0.00 O ATOM 385 ND2 ASN A 27 1.811 -7.554 -7.925 1.00 0.00 N ATOM 0 H ASN A 27 -0.308 -3.624 -5.066 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.420 -4.452 -7.145 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.294 -5.875 -5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.065 -7.119 -5.851 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.144 -7.862 -8.839 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.289 -7.861 -7.078 1.00 0.00 H new ATOM 392 N TYR A 28 -3.124 -4.942 -6.324 1.00 0.00 N ATOM 393 CA TYR A 28 -4.442 -4.975 -6.933 1.00 0.00 C ATOM 394 C TYR A 28 -4.340 -4.492 -8.386 1.00 0.00 C ATOM 395 O TYR A 28 -5.129 -4.925 -9.231 1.00 0.00 O ATOM 396 CB TYR A 28 -5.364 -4.064 -6.124 1.00 0.00 C ATOM 397 CG TYR A 28 -6.824 -4.138 -6.481 1.00 0.00 C ATOM 398 CD1 TYR A 28 -7.646 -5.124 -5.922 1.00 0.00 C ATOM 399 CD2 TYR A 28 -7.369 -3.179 -7.343 1.00 0.00 C ATOM 400 CE1 TYR A 28 -9.011 -5.176 -6.248 1.00 0.00 C ATOM 401 CE2 TYR A 28 -8.712 -3.245 -7.721 1.00 0.00 C ATOM 402 CZ TYR A 28 -9.545 -4.248 -7.180 1.00 0.00 C ATOM 403 OH TYR A 28 -10.850 -4.294 -7.563 1.00 0.00 O ATOM 0 H TYR A 28 -3.057 -4.314 -5.523 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.844 -5.988 -6.935 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.253 -4.310 -5.068 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.029 -3.034 -6.249 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.229 -5.847 -5.237 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.746 -2.381 -7.719 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.651 -5.918 -5.792 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.112 -2.531 -8.425 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.028 -3.576 -8.206 1.00 0.00 H new ATOM 413 N ILE A 29 -3.353 -3.627 -8.655 1.00 0.00 N ATOM 414 CA ILE A 29 -2.971 -3.063 -9.936 1.00 0.00 C ATOM 415 C ILE A 29 -1.470 -3.339 -10.081 1.00 0.00 C ATOM 416 O ILE A 29 -0.680 -2.906 -9.235 1.00 0.00 O ATOM 417 CB ILE A 29 -3.327 -1.564 -9.988 1.00 0.00 C ATOM 418 CG1 ILE A 29 -4.831 -1.337 -9.728 1.00 0.00 C ATOM 419 CG2 ILE A 29 -2.915 -0.934 -11.326 1.00 0.00 C ATOM 420 CD1 ILE A 29 -5.799 -1.819 -10.817 1.00 0.00 C ATOM 0 H ILE A 29 -2.753 -3.279 -7.907 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.508 -3.510 -10.772 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.764 -1.072 -9.195 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.094 -1.835 -8.795 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.993 -0.270 -9.577 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.181 0.123 -11.328 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.838 -1.037 -11.461 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.433 -1.440 -12.141 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.824 -1.602 -10.515 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.580 -1.304 -11.752 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.682 -2.894 -10.958 1.00 0.00 H new ATOM 432 N VAL A 30 -1.063 -4.081 -11.112 1.00 0.00 N ATOM 433 CA VAL A 30 0.346 -4.285 -11.439 1.00 0.00 C ATOM 434 C VAL A 30 0.984 -2.927 -11.726 1.00 0.00 C ATOM 435 O VAL A 30 0.467 -2.146 -12.528 1.00 0.00 O ATOM 436 CB VAL A 30 0.497 -5.300 -12.590 1.00 0.00 C ATOM 437 CG1 VAL A 30 1.832 -5.204 -13.345 1.00 0.00 C ATOM 438 CG2 VAL A 30 0.389 -6.714 -12.015 1.00 0.00 C ATOM 0 H VAL A 30 -1.705 -4.558 -11.745 1.00 0.00 H new ATOM 0 HA VAL A 30 0.879 -4.725 -10.596 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.295 -5.070 -13.303 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.856 -5.952 -14.138 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.933 -4.210 -13.781 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.655 -5.382 -12.653 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.494 -7.443 -12.819 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.178 -6.869 -11.279 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.582 -6.839 -11.537 1.00 0.00 H new ATOM 448 N ASN A 31 2.095 -2.643 -11.046 1.00 0.00 N ATOM 449 CA ASN A 31 2.792 -1.356 -11.134 1.00 0.00 C ATOM 450 C ASN A 31 4.257 -1.389 -10.669 1.00 0.00 C ATOM 451 O ASN A 31 4.904 -0.339 -10.699 1.00 0.00 O ATOM 452 CB ASN A 31 2.034 -0.270 -10.350 1.00 0.00 C ATOM 453 CG ASN A 31 2.173 -0.407 -8.844 1.00 0.00 C ATOM 454 OD1 ASN A 31 2.837 0.390 -8.198 1.00 0.00 O ATOM 455 ND2 ASN A 31 1.520 -1.394 -8.261 1.00 0.00 N ATOM 0 H ASN A 31 2.542 -3.305 -10.412 1.00 0.00 H new ATOM 0 HA ASN A 31 2.810 -1.120 -12.198 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.401 0.710 -10.654 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.978 -0.311 -10.615 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.562 -1.505 -7.248 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.973 -2.046 -8.823 1.00 0.00 H new ATOM 462 N SER A 32 4.799 -2.554 -10.290 1.00 0.00 N ATOM 463 CA SER A 32 6.078 -2.733 -9.592 1.00 0.00 C ATOM 464 C SER A 32 6.032 -2.182 -8.156 1.00 0.00 C ATOM 465 O SER A 32 5.093 -1.490 -7.789 1.00 0.00 O ATOM 466 CB SER A 32 7.259 -2.144 -10.396 1.00 0.00 C ATOM 467 OG SER A 32 7.344 -2.694 -11.704 1.00 0.00 O ATOM 0 H SER A 32 4.333 -3.443 -10.472 1.00 0.00 H new ATOM 0 HA SER A 32 6.249 -3.807 -9.514 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.146 -1.062 -10.465 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.190 -2.334 -9.862 1.00 0.00 H new ATOM 0 HG SER A 32 8.102 -2.294 -12.179 1.00 0.00 H new ATOM 473 N SER A 33 7.034 -2.527 -7.336 1.00 0.00 N ATOM 474 CA SER A 33 7.370 -2.045 -5.991 1.00 0.00 C ATOM 475 C SER A 33 6.287 -2.285 -4.920 1.00 0.00 C ATOM 476 O SER A 33 6.527 -2.113 -3.722 1.00 0.00 O ATOM 477 CB SER A 33 7.863 -0.604 -6.130 1.00 0.00 C ATOM 478 OG SER A 33 8.535 -0.123 -4.977 1.00 0.00 O ATOM 0 H SER A 33 7.706 -3.233 -7.636 1.00 0.00 H new ATOM 0 HA SER A 33 8.176 -2.651 -5.577 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.535 -0.539 -6.986 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.013 0.044 -6.342 1.00 0.00 H new ATOM 0 HG SER A 33 8.233 -0.622 -4.190 1.00 0.00 H new ATOM 484 N CYS A 34 5.146 -2.823 -5.336 1.00 0.00 N ATOM 485 CA CYS A 34 4.099 -3.389 -4.507 1.00 0.00 C ATOM 486 C CYS A 34 4.712 -4.412 -3.549 1.00 0.00 C ATOM 487 O CYS A 34 5.654 -5.120 -3.915 1.00 0.00 O ATOM 488 CB CYS A 34 3.064 -4.027 -5.435 1.00 0.00 C ATOM 489 SG CYS A 34 3.781 -5.026 -6.769 1.00 0.00 S ATOM 0 H CYS A 34 4.917 -2.877 -6.328 1.00 0.00 H new ATOM 0 HA CYS A 34 3.610 -2.626 -3.901 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.399 -4.655 -4.842 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.451 -3.240 -5.874 1.00 0.00 H new ATOM 0 HG CYS A 34 3.876 -6.263 -6.382 1.00 0.00 H new ATOM 494 N GLY A 35 4.192 -4.479 -2.327 1.00 0.00 N ATOM 495 CA GLY A 35 4.862 -5.086 -1.192 1.00 0.00 C ATOM 496 C GLY A 35 4.894 -4.114 -0.019 1.00 0.00 C ATOM 497 O GLY A 35 4.349 -3.008 -0.100 1.00 0.00 O ATOM 0 H GLY A 35 3.272 -4.103 -2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.345 -6.001 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.878 -5.368 -1.468 1.00 0.00 H new ATOM 501 N GLU A 36 5.500 -4.523 1.100 1.00 0.00 N ATOM 502 CA GLU A 36 5.424 -3.757 2.344 1.00 0.00 C ATOM 503 C GLU A 36 6.137 -2.410 2.240 1.00 0.00 C ATOM 504 O GLU A 36 5.771 -1.471 2.936 1.00 0.00 O ATOM 505 CB GLU A 36 5.937 -4.570 3.530 1.00 0.00 C ATOM 506 CG GLU A 36 7.443 -4.804 3.663 1.00 0.00 C ATOM 507 CD GLU A 36 7.665 -5.828 4.779 1.00 0.00 C ATOM 508 OE1 GLU A 36 7.497 -7.042 4.504 1.00 0.00 O ATOM 509 OE2 GLU A 36 7.848 -5.451 5.957 1.00 0.00 O ATOM 0 H GLU A 36 6.048 -5.380 1.168 1.00 0.00 H new ATOM 0 HA GLU A 36 4.370 -3.542 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.597 -4.077 4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.452 -5.546 3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.857 -5.169 2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.955 -3.870 3.895 1.00 0.00 H new ATOM 516 N ILE A 37 7.115 -2.316 1.343 1.00 0.00 N ATOM 517 CA ILE A 37 7.861 -1.097 1.037 1.00 0.00 C ATOM 518 C ILE A 37 6.906 -0.013 0.533 1.00 0.00 C ATOM 519 O ILE A 37 6.907 1.083 1.075 1.00 0.00 O ATOM 520 CB ILE A 37 8.998 -1.397 0.045 1.00 0.00 C ATOM 521 CG1 ILE A 37 9.928 -2.434 0.719 1.00 0.00 C ATOM 522 CG2 ILE A 37 9.742 -0.099 -0.343 1.00 0.00 C ATOM 523 CD1 ILE A 37 11.258 -2.667 0.016 1.00 0.00 C ATOM 0 H ILE A 37 7.421 -3.115 0.789 1.00 0.00 H new ATOM 0 HA ILE A 37 8.330 -0.717 1.944 1.00 0.00 H new ATOM 0 HB ILE A 37 8.612 -1.807 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.127 -2.109 1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.399 -3.385 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.542 -0.334 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.043 0.596 -0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.167 0.358 0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.835 -3.410 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.076 -3.027 -0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.816 -1.732 -0.026 1.00 0.00 H new ATOM 535 N CYS A 38 6.072 -0.288 -0.475 1.00 0.00 N ATOM 536 CA CYS A 38 5.173 0.741 -0.996 1.00 0.00 C ATOM 537 C CYS A 38 4.168 1.172 0.074 1.00 0.00 C ATOM 538 O CYS A 38 3.858 2.355 0.173 1.00 0.00 O ATOM 539 CB CYS A 38 4.442 0.215 -2.230 1.00 0.00 C ATOM 540 SG CYS A 38 3.502 1.486 -3.108 1.00 0.00 S ATOM 0 H CYS A 38 6.002 -1.195 -0.937 1.00 0.00 H new ATOM 0 HA CYS A 38 5.765 1.612 -1.278 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.169 -0.225 -2.913 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.764 -0.583 -1.928 1.00 0.00 H new ATOM 0 HG CYS A 38 2.309 1.573 -2.599 1.00 0.00 H new ATOM 545 N CYS A 39 3.694 0.233 0.902 1.00 0.00 N ATOM 546 CA CYS A 39 2.920 0.549 2.089 1.00 0.00 C ATOM 547 C CYS A 39 3.698 1.533 2.963 1.00 0.00 C ATOM 548 O CYS A 39 3.177 2.598 3.263 1.00 0.00 O ATOM 549 CB CYS A 39 2.595 -0.736 2.850 1.00 0.00 C ATOM 550 SG CYS A 39 1.941 -2.132 1.896 1.00 0.00 S ATOM 0 H CYS A 39 3.841 -0.766 0.760 1.00 0.00 H new ATOM 0 HA CYS A 39 1.979 1.020 1.803 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.504 -1.068 3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.872 -0.492 3.628 1.00 0.00 H new ATOM 0 HG CYS A 39 0.737 -1.855 1.491 1.00 0.00 H new ATOM 555 N ASN A 40 4.935 1.201 3.335 1.00 0.00 N ATOM 556 CA ASN A 40 5.805 2.026 4.165 1.00 0.00 C ATOM 557 C ASN A 40 6.002 3.419 3.555 1.00 0.00 C ATOM 558 O ASN A 40 6.064 4.410 4.278 1.00 0.00 O ATOM 559 CB ASN A 40 7.176 1.336 4.311 1.00 0.00 C ATOM 560 CG ASN A 40 7.369 0.590 5.616 1.00 0.00 C ATOM 561 OD1 ASN A 40 8.454 0.605 6.183 1.00 0.00 O ATOM 562 ND2 ASN A 40 6.360 -0.109 6.103 1.00 0.00 N ATOM 0 H ASN A 40 5.370 0.322 3.056 1.00 0.00 H new ATOM 0 HA ASN A 40 5.334 2.143 5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.306 0.637 3.485 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.959 2.089 4.218 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.479 -0.646 6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.462 -0.112 5.620 1.00 0.00 H new ATOM 569 N ASP A 41 6.100 3.511 2.228 1.00 0.00 N ATOM 570 CA ASP A 41 6.371 4.747 1.504 1.00 0.00 C ATOM 571 C ASP A 41 5.096 5.507 1.093 1.00 0.00 C ATOM 572 O ASP A 41 5.177 6.463 0.315 1.00 0.00 O ATOM 573 CB ASP A 41 7.366 4.519 0.346 1.00 0.00 C ATOM 574 CG ASP A 41 8.858 4.622 0.712 1.00 0.00 C ATOM 575 OD1 ASP A 41 9.240 5.517 1.507 1.00 0.00 O ATOM 576 OD2 ASP A 41 9.688 3.853 0.177 1.00 0.00 O ATOM 0 H ASP A 41 5.990 2.704 1.614 1.00 0.00 H new ATOM 0 HA ASP A 41 6.867 5.421 2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.183 3.531 -0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.153 5.245 -0.439 1.00 0.00 H new ATOM 581 N CYS A 42 3.923 5.132 1.620 1.00 0.00 N ATOM 582 CA CYS A 42 2.660 5.876 1.490 1.00 0.00 C ATOM 583 C CYS A 42 1.969 6.088 2.845 1.00 0.00 C ATOM 584 O CYS A 42 1.400 7.148 3.117 1.00 0.00 O ATOM 585 CB CYS A 42 1.673 5.122 0.585 1.00 0.00 C ATOM 586 SG CYS A 42 2.182 4.769 -1.115 1.00 0.00 S ATOM 0 H CYS A 42 3.822 4.276 2.166 1.00 0.00 H new ATOM 0 HA CYS A 42 2.923 6.842 1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.436 4.173 1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.749 5.699 0.544 1.00 0.00 H new ATOM 0 HG CYS A 42 1.797 3.571 -1.443 1.00 0.00 H new ATOM 591 N PHE A 43 1.963 5.052 3.676 1.00 0.00 N ATOM 592 CA PHE A 43 1.161 4.913 4.874 1.00 0.00 C ATOM 593 C PHE A 43 2.081 4.933 6.083 1.00 0.00 C ATOM 594 O PHE A 43 3.237 4.513 6.005 1.00 0.00 O ATOM 595 CB PHE A 43 0.406 3.569 4.798 1.00 0.00 C ATOM 596 CG PHE A 43 -0.730 3.526 3.796 1.00 0.00 C ATOM 597 CD1 PHE A 43 -1.957 4.118 4.127 1.00 0.00 C ATOM 598 CD2 PHE A 43 -0.577 2.900 2.544 1.00 0.00 C ATOM 599 CE1 PHE A 43 -3.017 4.123 3.206 1.00 0.00 C ATOM 600 CE2 PHE A 43 -1.646 2.880 1.629 1.00 0.00 C ATOM 601 CZ PHE A 43 -2.868 3.493 1.960 1.00 0.00 C ATOM 0 H PHE A 43 2.557 4.239 3.516 1.00 0.00 H new ATOM 0 HA PHE A 43 0.443 5.729 4.960 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.119 2.783 4.549 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.008 3.337 5.786 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.088 4.574 5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.363 2.434 2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.947 4.612 3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.528 2.394 0.672 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.689 3.479 1.258 1.00 0.00 H new ATOM 611 N ASP A 44 1.545 5.331 7.239 1.00 0.00 N ATOM 612 CA ASP A 44 2.221 5.061 8.503 1.00 0.00 C ATOM 613 C ASP A 44 2.272 3.554 8.743 1.00 0.00 C ATOM 614 O ASP A 44 1.705 2.754 7.992 1.00 0.00 O ATOM 615 CB ASP A 44 1.581 5.806 9.684 1.00 0.00 C ATOM 616 CG ASP A 44 0.624 4.980 10.543 1.00 0.00 C ATOM 617 OD1 ASP A 44 -0.441 4.575 10.031 1.00 0.00 O ATOM 618 OD2 ASP A 44 0.959 4.690 11.717 1.00 0.00 O ATOM 0 H ASP A 44 0.661 5.832 7.323 1.00 0.00 H new ATOM 0 HA ASP A 44 3.240 5.442 8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.376 6.189 10.323 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.040 6.669 9.296 1.00 0.00 H new ATOM 623 N GLU A 45 2.952 3.147 9.805 1.00 0.00 N ATOM 624 CA GLU A 45 3.120 1.733 10.112 1.00 0.00 C ATOM 625 C GLU A 45 1.769 1.081 10.448 1.00 0.00 C ATOM 626 O GLU A 45 1.561 -0.106 10.183 1.00 0.00 O ATOM 627 CB GLU A 45 4.132 1.553 11.241 1.00 0.00 C ATOM 628 CG GLU A 45 4.654 0.112 11.269 1.00 0.00 C ATOM 629 CD GLU A 45 5.574 -0.136 12.455 1.00 0.00 C ATOM 630 OE1 GLU A 45 5.038 -0.407 13.562 1.00 0.00 O ATOM 631 OE2 GLU A 45 6.811 -0.151 12.285 1.00 0.00 O ATOM 0 H GLU A 45 3.398 3.778 10.471 1.00 0.00 H new ATOM 0 HA GLU A 45 3.511 1.227 9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.963 2.245 11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.667 1.796 12.196 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.812 -0.578 11.313 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.190 -0.098 10.344 1.00 0.00 H new ATOM 638 N THR A 46 0.832 1.848 11.002 1.00 0.00 N ATOM 639 CA THR A 46 -0.492 1.358 11.357 1.00 0.00 C ATOM 640 C THR A 46 -1.279 1.078 10.069 1.00 0.00 C ATOM 641 O THR A 46 -1.732 -0.052 9.862 1.00 0.00 O ATOM 642 CB THR A 46 -1.181 2.369 12.293 1.00 0.00 C ATOM 643 OG1 THR A 46 -0.271 2.870 13.255 1.00 0.00 O ATOM 644 CG2 THR A 46 -2.391 1.762 13.007 1.00 0.00 C ATOM 0 H THR A 46 0.975 2.835 11.218 1.00 0.00 H new ATOM 0 HA THR A 46 -0.434 0.419 11.908 1.00 0.00 H new ATOM 0 HB THR A 46 -1.531 3.187 11.663 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.215 3.634 12.879 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.844 2.511 13.656 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.121 1.432 12.268 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.070 0.910 13.606 1.00 0.00 H new ATOM 652 N GLY A 47 -1.385 2.062 9.167 1.00 0.00 N ATOM 653 CA GLY A 47 -1.980 1.912 7.841 1.00 0.00 C ATOM 654 C GLY A 47 -1.317 0.766 7.075 1.00 0.00 C ATOM 655 O GLY A 47 -1.996 -0.062 6.458 1.00 0.00 O ATOM 0 H GLY A 47 -1.049 3.008 9.348 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.049 1.721 7.937 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.871 2.841 7.281 1.00 0.00 H new ATOM 659 N THR A 48 0.012 0.685 7.162 1.00 0.00 N ATOM 660 CA THR A 48 0.805 -0.358 6.548 1.00 0.00 C ATOM 661 C THR A 48 0.323 -1.735 6.971 1.00 0.00 C ATOM 662 O THR A 48 0.168 -2.562 6.084 1.00 0.00 O ATOM 663 CB THR A 48 2.303 -0.142 6.827 1.00 0.00 C ATOM 664 OG1 THR A 48 2.766 0.961 6.084 1.00 0.00 O ATOM 665 CG2 THR A 48 3.185 -1.342 6.476 1.00 0.00 C ATOM 0 H THR A 48 0.572 1.365 7.677 1.00 0.00 H new ATOM 0 HA THR A 48 0.673 -0.303 5.467 1.00 0.00 H new ATOM 0 HB THR A 48 2.381 0.020 7.902 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.520 1.791 6.543 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.225 -1.108 6.702 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.872 -2.207 7.061 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.087 -1.567 5.414 1.00 0.00 H new ATOM 673 N GLY A 49 0.065 -2.028 8.249 1.00 0.00 N ATOM 674 CA GLY A 49 -0.189 -3.409 8.666 1.00 0.00 C ATOM 675 C GLY A 49 -1.343 -4.059 7.895 1.00 0.00 C ATOM 676 O GLY A 49 -1.292 -5.248 7.571 1.00 0.00 O ATOM 0 H GLY A 49 0.027 -1.340 9.001 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.716 -3.999 8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.415 -3.426 9.732 1.00 0.00 H new ATOM 680 N ALA A 50 -2.360 -3.271 7.552 1.00 0.00 N ATOM 681 CA ALA A 50 -3.479 -3.666 6.712 1.00 0.00 C ATOM 682 C ALA A 50 -3.056 -3.832 5.256 1.00 0.00 C ATOM 683 O ALA A 50 -3.353 -4.843 4.622 1.00 0.00 O ATOM 684 CB ALA A 50 -4.519 -2.556 6.807 1.00 0.00 C ATOM 0 H ALA A 50 -2.426 -2.303 7.866 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.871 -4.625 7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.380 -2.811 6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.836 -2.442 7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.085 -1.620 6.456 1.00 0.00 H new ATOM 690 N CYS A 51 -2.371 -2.823 4.720 1.00 0.00 N ATOM 691 CA CYS A 51 -1.964 -2.755 3.336 1.00 0.00 C ATOM 692 C CYS A 51 -1.019 -3.914 3.038 1.00 0.00 C ATOM 693 O CYS A 51 -1.103 -4.537 1.983 1.00 0.00 O ATOM 694 CB CYS A 51 -1.344 -1.377 3.094 1.00 0.00 C ATOM 695 SG CYS A 51 -1.204 -0.882 1.362 1.00 0.00 S ATOM 0 H CYS A 51 -2.080 -2.010 5.262 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.805 -2.861 2.651 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.941 -0.632 3.620 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.350 -1.362 3.540 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.342 -0.403 0.954 1.00 0.00 H new ATOM 700 N ARG A 52 -0.189 -4.291 4.017 1.00 0.00 N ATOM 701 CA ARG A 52 0.651 -5.457 3.927 1.00 0.00 C ATOM 702 C ARG A 52 -0.183 -6.697 3.743 1.00 0.00 C ATOM 703 O ARG A 52 0.191 -7.470 2.889 1.00 0.00 O ATOM 704 CB ARG A 52 1.562 -5.670 5.127 1.00 0.00 C ATOM 705 CG ARG A 52 2.657 -4.621 5.224 1.00 0.00 C ATOM 706 CD ARG A 52 3.594 -4.870 6.407 1.00 0.00 C ATOM 707 NE ARG A 52 4.531 -5.981 6.166 1.00 0.00 N ATOM 708 CZ ARG A 52 5.032 -6.825 7.076 1.00 0.00 C ATOM 709 NH1 ARG A 52 4.662 -6.777 8.355 1.00 0.00 N ATOM 710 NH2 ARG A 52 5.901 -7.741 6.694 1.00 0.00 N ATOM 0 H ARG A 52 -0.092 -3.781 4.895 1.00 0.00 H new ATOM 0 HA ARG A 52 1.290 -5.275 3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.965 -5.652 6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.016 -6.659 5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.235 -4.616 4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.205 -3.634 5.323 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.160 -3.962 6.615 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.001 -5.086 7.296 1.00 0.00 H new ATOM 0 HE ARG A 52 4.830 -6.122 5.201 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.980 -6.084 8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.061 -7.433 9.026 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.183 -7.800 5.716 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.291 -8.391 7.377 1.00 0.00 H new ATOM 724 N ALA A 53 -1.265 -6.922 4.492 1.00 0.00 N ATOM 725 CA ALA A 53 -2.075 -8.125 4.291 1.00 0.00 C ATOM 726 C ALA A 53 -2.557 -8.211 2.844 1.00 0.00 C ATOM 727 O ALA A 53 -2.401 -9.242 2.188 1.00 0.00 O ATOM 728 CB ALA A 53 -3.286 -8.160 5.217 1.00 0.00 C ATOM 0 H ALA A 53 -1.596 -6.300 5.230 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.436 -8.977 4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.858 -9.069 5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.951 -8.145 6.254 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.915 -7.291 5.026 1.00 0.00 H new ATOM 734 N GLN A 54 -3.106 -7.110 2.328 1.00 0.00 N ATOM 735 CA GLN A 54 -3.531 -7.029 0.934 1.00 0.00 C ATOM 736 C GLN A 54 -2.341 -7.085 -0.052 1.00 0.00 C ATOM 737 O GLN A 54 -2.567 -7.234 -1.246 1.00 0.00 O ATOM 738 CB GLN A 54 -4.342 -5.743 0.737 1.00 0.00 C ATOM 739 CG GLN A 54 -5.289 -5.746 -0.482 1.00 0.00 C ATOM 740 CD GLN A 54 -6.592 -6.516 -0.253 1.00 0.00 C ATOM 741 OE1 GLN A 54 -7.154 -6.512 0.843 1.00 0.00 O ATOM 742 NE2 GLN A 54 -7.165 -7.156 -1.261 1.00 0.00 N ATOM 0 H GLN A 54 -3.267 -6.256 2.862 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.150 -7.899 0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.932 -5.563 1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.650 -4.907 0.638 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.529 -4.716 -0.746 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.767 -6.180 -1.334 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.716 -7.171 -2.177 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.055 -7.634 -1.122 1.00 0.00 H new ATOM 751 N ALA A 55 -1.090 -6.981 0.398 1.00 0.00 N ATOM 752 CA ALA A 55 0.113 -7.170 -0.408 1.00 0.00 C ATOM 753 C ALA A 55 0.807 -8.504 -0.095 1.00 0.00 C ATOM 754 O ALA A 55 1.746 -8.875 -0.798 1.00 0.00 O ATOM 755 CB ALA A 55 1.076 -5.998 -0.181 1.00 0.00 C ATOM 0 H ALA A 55 -0.881 -6.754 1.370 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.184 -7.199 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.973 -6.142 -0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.590 -5.066 -0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.351 -5.952 0.873 1.00 0.00 H new ATOM 761 N PHE A 56 0.337 -9.270 0.891 1.00 0.00 N ATOM 762 CA PHE A 56 0.994 -10.445 1.440 1.00 0.00 C ATOM 763 C PHE A 56 0.287 -11.691 0.913 1.00 0.00 C ATOM 764 O PHE A 56 0.774 -12.330 -0.020 1.00 0.00 O ATOM 765 CB PHE A 56 0.984 -10.375 2.982 1.00 0.00 C ATOM 766 CG PHE A 56 1.587 -11.593 3.664 1.00 0.00 C ATOM 767 CD1 PHE A 56 2.866 -12.062 3.304 1.00 0.00 C ATOM 768 CD2 PHE A 56 0.858 -12.271 4.661 1.00 0.00 C ATOM 769 CE1 PHE A 56 3.436 -13.150 3.985 1.00 0.00 C ATOM 770 CE2 PHE A 56 1.414 -13.383 5.317 1.00 0.00 C ATOM 771 CZ PHE A 56 2.710 -13.814 4.989 1.00 0.00 C ATOM 0 H PHE A 56 -0.555 -9.074 1.346 1.00 0.00 H new ATOM 0 HA PHE A 56 2.037 -10.487 1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.532 -9.487 3.298 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.044 -10.253 3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.409 -11.584 2.502 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.134 -11.934 4.923 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.435 -13.477 3.737 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.845 -13.905 6.072 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.148 -14.654 5.507 1.00 0.00 H new ATOM 781 N GLY A 57 -0.870 -12.020 1.489 1.00 0.00 N ATOM 782 CA GLY A 57 -1.642 -13.216 1.179 1.00 0.00 C ATOM 783 C GLY A 57 -2.689 -12.940 0.108 1.00 0.00 C ATOM 784 O GLY A 57 -3.837 -13.368 0.252 1.00 0.00 O ATOM 0 H GLY A 57 -1.306 -11.441 2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.972 -14.006 0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.131 -13.580 2.083 1.00 0.00 H new ATOM 788 N ASN A 58 -2.332 -12.167 -0.915 1.00 0.00 N ATOM 789 CA ASN A 58 -3.231 -11.567 -1.888 1.00 0.00 C ATOM 790 C ASN A 58 -2.526 -11.575 -3.268 1.00 0.00 C ATOM 791 O ASN A 58 -1.832 -12.552 -3.582 1.00 0.00 O ATOM 792 CB ASN A 58 -3.612 -10.179 -1.363 1.00 0.00 C ATOM 793 CG ASN A 58 -4.744 -9.584 -2.184 1.00 0.00 C ATOM 794 OD1 ASN A 58 -5.831 -10.144 -2.276 1.00 0.00 O ATOM 795 ND2 ASN A 58 -4.490 -8.470 -2.843 1.00 0.00 N ATOM 0 H ASN A 58 -1.356 -11.932 -1.094 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.161 -12.118 -2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.913 -10.251 -0.318 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.744 -9.520 -1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.205 -8.058 -3.443 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.579 -8.020 -2.752 1.00 0.00 H new ATOM 802 N SER A 59 -2.708 -10.556 -4.120 1.00 0.00 N ATOM 803 CA SER A 59 -2.209 -10.541 -5.494 1.00 0.00 C ATOM 804 C SER A 59 -0.683 -10.617 -5.601 1.00 0.00 C ATOM 805 O SER A 59 -0.170 -11.388 -6.413 1.00 0.00 O ATOM 806 CB SER A 59 -2.681 -9.268 -6.200 1.00 0.00 C ATOM 807 OG SER A 59 -4.047 -9.349 -6.567 1.00 0.00 O ATOM 0 H SER A 59 -3.214 -9.708 -3.866 1.00 0.00 H new ATOM 0 HA SER A 59 -2.611 -11.436 -5.968 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.531 -8.411 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.074 -9.099 -7.090 1.00 0.00 H new ATOM 0 HG SER A 59 -4.358 -8.469 -6.867 1.00 0.00 H new ATOM 813 N CYS A 60 0.059 -9.795 -4.849 1.00 0.00 N ATOM 814 CA CYS A 60 1.512 -9.764 -4.968 1.00 0.00 C ATOM 815 C CYS A 60 2.081 -11.111 -4.521 1.00 0.00 C ATOM 816 O CYS A 60 1.642 -11.660 -3.505 1.00 0.00 O ATOM 817 CB CYS A 60 2.114 -8.611 -4.158 1.00 0.00 C ATOM 818 SG CYS A 60 3.631 -7.971 -4.901 1.00 0.00 S ATOM 0 H CYS A 60 -0.324 -9.149 -4.158 1.00 0.00 H new ATOM 0 HA CYS A 60 1.779 -9.591 -6.010 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.384 -7.806 -4.078 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.324 -8.953 -3.145 1.00 0.00 H new ATOM 0 HG CYS A 60 4.658 -8.396 -4.226 1.00 0.00 H new ATOM 823 N LEU A 61 3.036 -11.666 -5.268 1.00 0.00 N ATOM 824 CA LEU A 61 3.537 -13.009 -4.987 1.00 0.00 C ATOM 825 C LEU A 61 4.290 -13.023 -3.656 1.00 0.00 C ATOM 826 O LEU A 61 4.099 -13.929 -2.840 1.00 0.00 O ATOM 827 CB LEU A 61 4.455 -13.530 -6.100 1.00 0.00 C ATOM 828 CG LEU A 61 3.923 -13.596 -7.547 1.00 0.00 C ATOM 829 CD1 LEU A 61 2.444 -13.990 -7.644 1.00 0.00 C ATOM 830 CD2 LEU A 61 4.168 -12.286 -8.310 1.00 0.00 C ATOM 0 H LEU A 61 3.475 -11.209 -6.067 1.00 0.00 H new ATOM 0 HA LEU A 61 2.672 -13.669 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.348 -12.905 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.771 -14.535 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 61 4.497 -14.394 -8.018 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.142 -14.015 -8.691 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.300 -14.975 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.837 -13.260 -7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.778 -12.377 -9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.662 -11.467 -7.799 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.238 -12.083 -8.350 1.00 0.00 H new ATOM 842 N ASN A 62 5.101 -11.991 -3.420 1.00 0.00 N ATOM 843 CA ASN A 62 5.788 -11.706 -2.168 1.00 0.00 C ATOM 844 C ASN A 62 5.504 -10.247 -1.851 1.00 0.00 C ATOM 845 O ASN A 62 5.550 -9.414 -2.759 1.00 0.00 O ATOM 846 CB ASN A 62 7.301 -11.939 -2.301 1.00 0.00 C ATOM 847 CG ASN A 62 7.641 -13.420 -2.331 1.00 0.00 C ATOM 848 OD1 ASN A 62 7.447 -14.125 -1.345 1.00 0.00 O ATOM 849 ND2 ASN A 62 8.123 -13.928 -3.452 1.00 0.00 N ATOM 0 H ASN A 62 5.305 -11.296 -4.139 1.00 0.00 H new ATOM 0 HA ASN A 62 5.437 -12.365 -1.374 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.664 -11.464 -3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.817 -11.464 -1.467 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.341 -14.923 -3.509 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.277 -13.325 -4.260 1.00 0.00 H new ATOM 856 N TRP A 63 5.213 -9.934 -0.592 1.00 0.00 N ATOM 857 CA TRP A 63 5.294 -8.567 -0.090 1.00 0.00 C ATOM 858 C TRP A 63 6.739 -8.090 -0.030 1.00 0.00 C ATOM 859 O TRP A 63 7.656 -8.923 -0.195 1.00 0.00 O ATOM 860 CB TRP A 63 4.653 -8.473 1.296 1.00 0.00 C ATOM 861 CG TRP A 63 5.165 -9.363 2.395 1.00 0.00 C ATOM 862 CD1 TRP A 63 6.101 -10.339 2.331 1.00 0.00 C ATOM 863 CD2 TRP A 63 4.662 -9.414 3.752 1.00 0.00 C ATOM 864 NE1 TRP A 63 6.184 -10.996 3.542 1.00 0.00 N ATOM 865 CE2 TRP A 63 5.297 -10.473 4.454 1.00 0.00 C ATOM 866 CE3 TRP A 63 3.646 -8.713 4.412 1.00 0.00 C ATOM 867 CZ2 TRP A 63 4.917 -10.832 5.752 1.00 0.00 C ATOM 868 CZ3 TRP A 63 3.228 -9.071 5.706 1.00 0.00 C ATOM 869 CH2 TRP A 63 3.862 -10.139 6.368 1.00 0.00 C ATOM 0 H TRP A 63 4.916 -10.617 0.105 1.00 0.00 H new ATOM 0 HA TRP A 63 4.750 -7.922 -0.780 1.00 0.00 H new ATOM 0 HB2 TRP A 63 4.750 -7.442 1.635 1.00 0.00 H new ATOM 0 HB3 TRP A 63 3.587 -8.671 1.181 1.00 0.00 H new ATOM 0 HD1 TRP A 63 6.696 -10.570 1.460 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.821 -11.769 3.736 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.173 -7.878 3.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.427 -11.629 6.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.427 -8.531 6.188 1.00 0.00 H new ATOM 0 HH2 TRP A 63 3.535 -10.428 7.356 1.00 0.00 H new TER 880 TRP A 63