USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.109 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 57:sc= 1.09 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.874 K(o=-0.87,f=-1.6) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -142:sc= 0 (180deg=-0.428) USER MOD Single : A 26 THR OG1 : rot 141:sc= -1.61 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0356 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.31 K(o=-1.3,f=-4.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.166 X(o=-0.17,f=0.29) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 160:sc= -0.648 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -52.950 30.829 9.454 1.00 0.00 N ATOM 2 CA GLY A 1 -51.886 29.935 9.027 1.00 0.00 C ATOM 3 C GLY A 1 -50.669 30.725 8.541 1.00 0.00 C ATOM 4 O GLY A 1 -50.654 31.953 8.607 1.00 0.00 O ATOM 0 H1 GLY A 1 -53.262 30.566 10.411 1.00 0.00 H new ATOM 0 H2 GLY A 1 -52.599 31.808 9.462 1.00 0.00 H new ATOM 0 H3 GLY A 1 -53.752 30.754 8.796 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -51.597 29.287 9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -52.248 29.289 8.227 1.00 0.00 H new ATOM 8 N SER A 2 -49.677 29.986 8.065 1.00 0.00 N ATOM 9 CA SER A 2 -48.458 30.602 7.568 1.00 0.00 C ATOM 10 C SER A 2 -47.557 29.540 6.935 1.00 0.00 C ATOM 11 O SER A 2 -47.746 28.346 7.159 1.00 0.00 O ATOM 12 CB SER A 2 -47.713 31.331 8.688 1.00 0.00 C ATOM 13 OG SER A 2 -46.891 30.447 9.445 1.00 0.00 O ATOM 0 H SER A 2 -49.693 28.967 8.013 1.00 0.00 H new ATOM 0 HA SER A 2 -48.730 31.338 6.811 1.00 0.00 H new ATOM 0 HB2 SER A 2 -47.097 32.121 8.259 1.00 0.00 H new ATOM 0 HB3 SER A 2 -48.433 31.812 9.350 1.00 0.00 H new ATOM 0 HG SER A 2 -46.431 30.950 10.149 1.00 0.00 H new ATOM 19 N SER A 3 -46.595 30.015 6.156 1.00 0.00 N ATOM 20 CA SER A 3 -45.664 29.121 5.488 1.00 0.00 C ATOM 21 C SER A 3 -44.675 29.930 4.646 1.00 0.00 C ATOM 22 O SER A 3 -44.855 31.132 4.455 1.00 0.00 O ATOM 23 CB SER A 3 -46.404 28.109 4.611 1.00 0.00 C ATOM 24 OG SER A 3 -47.218 28.747 3.631 1.00 0.00 O ATOM 0 H SER A 3 -46.441 31.006 5.973 1.00 0.00 H new ATOM 0 HA SER A 3 -45.115 28.567 6.250 1.00 0.00 H new ATOM 0 HB2 SER A 3 -45.681 27.461 4.116 1.00 0.00 H new ATOM 0 HB3 SER A 3 -47.026 27.471 5.239 1.00 0.00 H new ATOM 0 HG SER A 3 -47.672 28.067 3.090 1.00 0.00 H new ATOM 30 N GLY A 4 -43.652 29.238 4.166 1.00 0.00 N ATOM 31 CA GLY A 4 -42.635 29.877 3.349 1.00 0.00 C ATOM 32 C GLY A 4 -42.459 29.143 2.018 1.00 0.00 C ATOM 33 O GLY A 4 -43.408 28.558 1.497 1.00 0.00 O ATOM 0 H GLY A 4 -43.506 28.241 4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -42.913 30.914 3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -41.688 29.893 3.888 1.00 0.00 H new ATOM 37 N SER A 5 -41.238 29.196 1.506 1.00 0.00 N ATOM 38 CA SER A 5 -40.926 28.543 0.246 1.00 0.00 C ATOM 39 C SER A 5 -39.461 28.790 -0.122 1.00 0.00 C ATOM 40 O SER A 5 -38.945 29.890 0.074 1.00 0.00 O ATOM 41 CB SER A 5 -41.845 29.037 -0.873 1.00 0.00 C ATOM 42 OG SER A 5 -41.944 30.458 -0.895 1.00 0.00 O ATOM 0 H SER A 5 -40.453 29.681 1.941 1.00 0.00 H new ATOM 0 HA SER A 5 -41.089 27.472 0.366 1.00 0.00 H new ATOM 0 HB2 SER A 5 -41.468 28.685 -1.833 1.00 0.00 H new ATOM 0 HB3 SER A 5 -42.838 28.607 -0.743 1.00 0.00 H new ATOM 0 HG SER A 5 -42.538 30.733 -1.624 1.00 0.00 H new ATOM 48 N SER A 6 -38.833 27.750 -0.649 1.00 0.00 N ATOM 49 CA SER A 6 -37.439 27.840 -1.047 1.00 0.00 C ATOM 50 C SER A 6 -37.043 26.601 -1.853 1.00 0.00 C ATOM 51 O SER A 6 -37.797 25.632 -1.918 1.00 0.00 O ATOM 52 CB SER A 6 -36.527 27.992 0.172 1.00 0.00 C ATOM 53 OG SER A 6 -36.208 26.735 0.761 1.00 0.00 O ATOM 0 H SER A 6 -39.264 26.840 -0.810 1.00 0.00 H new ATOM 0 HA SER A 6 -37.319 28.726 -1.671 1.00 0.00 H new ATOM 0 HB2 SER A 6 -35.608 28.497 -0.124 1.00 0.00 H new ATOM 0 HB3 SER A 6 -37.015 28.626 0.913 1.00 0.00 H new ATOM 0 HG SER A 6 -35.623 26.875 1.535 1.00 0.00 H new ATOM 59 N GLY A 7 -35.862 26.674 -2.448 1.00 0.00 N ATOM 60 CA GLY A 7 -35.357 25.571 -3.248 1.00 0.00 C ATOM 61 C GLY A 7 -34.184 26.019 -4.122 1.00 0.00 C ATOM 62 O GLY A 7 -34.152 27.156 -4.590 1.00 0.00 O ATOM 0 H GLY A 7 -35.240 27.480 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -35.039 24.759 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -36.155 25.179 -3.878 1.00 0.00 H new ATOM 66 N THR A 8 -33.247 25.102 -4.315 1.00 0.00 N ATOM 67 CA THR A 8 -32.075 25.388 -5.124 1.00 0.00 C ATOM 68 C THR A 8 -31.267 24.111 -5.363 1.00 0.00 C ATOM 69 O THR A 8 -30.710 23.540 -4.426 1.00 0.00 O ATOM 70 CB THR A 8 -31.276 26.491 -4.426 1.00 0.00 C ATOM 71 OG1 THR A 8 -30.233 26.800 -5.346 1.00 0.00 O ATOM 72 CG2 THR A 8 -30.540 25.984 -3.184 1.00 0.00 C ATOM 0 H THR A 8 -33.276 24.160 -3.925 1.00 0.00 H new ATOM 0 HA THR A 8 -32.356 25.747 -6.114 1.00 0.00 H new ATOM 0 HB THR A 8 -31.947 27.302 -4.144 1.00 0.00 H new ATOM 0 HG1 THR A 8 -29.667 27.508 -4.973 1.00 0.00 H new ATOM 0 HG21 THR A 8 -29.989 26.806 -2.727 1.00 0.00 H new ATOM 0 HG22 THR A 8 -31.262 25.589 -2.469 1.00 0.00 H new ATOM 0 HG23 THR A 8 -29.844 25.195 -3.470 1.00 0.00 H new ATOM 80 N SER A 9 -31.228 23.700 -6.622 1.00 0.00 N ATOM 81 CA SER A 9 -30.497 22.501 -6.995 1.00 0.00 C ATOM 82 C SER A 9 -30.625 22.259 -8.501 1.00 0.00 C ATOM 83 O SER A 9 -31.693 22.459 -9.077 1.00 0.00 O ATOM 84 CB SER A 9 -31.001 21.284 -6.217 1.00 0.00 C ATOM 85 OG SER A 9 -30.197 21.013 -5.072 1.00 0.00 O ATOM 0 H SER A 9 -31.691 24.176 -7.396 1.00 0.00 H new ATOM 0 HA SER A 9 -29.446 22.648 -6.744 1.00 0.00 H new ATOM 0 HB2 SER A 9 -32.031 21.454 -5.905 1.00 0.00 H new ATOM 0 HB3 SER A 9 -31.006 20.412 -6.871 1.00 0.00 H new ATOM 0 HG SER A 9 -30.167 21.807 -4.498 1.00 0.00 H new ATOM 91 N SER A 10 -29.521 21.830 -9.094 1.00 0.00 N ATOM 92 CA SER A 10 -29.496 21.558 -10.521 1.00 0.00 C ATOM 93 C SER A 10 -28.149 20.948 -10.914 1.00 0.00 C ATOM 94 O SER A 10 -27.117 21.613 -10.839 1.00 0.00 O ATOM 95 CB SER A 10 -29.759 22.830 -11.330 1.00 0.00 C ATOM 96 OG SER A 10 -30.192 22.540 -12.656 1.00 0.00 O ATOM 0 H SER A 10 -28.637 21.664 -8.612 1.00 0.00 H new ATOM 0 HA SER A 10 -30.290 20.846 -10.747 1.00 0.00 H new ATOM 0 HB2 SER A 10 -30.515 23.431 -10.825 1.00 0.00 H new ATOM 0 HB3 SER A 10 -28.849 23.429 -11.369 1.00 0.00 H new ATOM 0 HG SER A 10 -30.351 23.378 -13.139 1.00 0.00 H new ATOM 102 N ASN A 11 -28.202 19.690 -11.326 1.00 0.00 N ATOM 103 CA ASN A 11 -26.999 18.983 -11.731 1.00 0.00 C ATOM 104 C ASN A 11 -27.389 17.735 -12.525 1.00 0.00 C ATOM 105 O ASN A 11 -27.501 16.647 -11.963 1.00 0.00 O ATOM 106 CB ASN A 11 -26.188 18.534 -10.514 1.00 0.00 C ATOM 107 CG ASN A 11 -24.814 18.008 -10.934 1.00 0.00 C ATOM 108 OD1 ASN A 11 -24.091 18.626 -11.698 1.00 0.00 O ATOM 109 ND2 ASN A 11 -24.497 16.834 -10.395 1.00 0.00 N ATOM 0 H ASN A 11 -29.060 19.142 -11.388 1.00 0.00 H new ATOM 0 HA ASN A 11 -26.397 19.661 -12.336 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -26.066 19.370 -9.825 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -26.731 17.756 -9.978 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -23.602 16.397 -10.614 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -25.149 16.370 -9.763 1.00 0.00 H new ATOM 116 N PRO A 12 -27.590 17.940 -13.855 1.00 0.00 N ATOM 117 CA PRO A 12 -27.965 16.844 -14.733 1.00 0.00 C ATOM 118 C PRO A 12 -26.767 15.936 -15.018 1.00 0.00 C ATOM 119 O PRO A 12 -26.325 15.826 -16.161 1.00 0.00 O ATOM 120 CB PRO A 12 -28.515 17.512 -15.982 1.00 0.00 C ATOM 121 CG PRO A 12 -28.002 18.942 -15.951 1.00 0.00 C ATOM 122 CD PRO A 12 -27.466 19.215 -14.555 1.00 0.00 C ATOM 0 HA PRO A 12 -28.711 16.185 -14.289 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -28.178 16.996 -16.881 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -29.605 17.488 -15.990 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -27.218 19.082 -16.695 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -28.803 19.640 -16.196 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -26.429 19.550 -14.587 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -28.038 19.998 -14.057 1.00 0.00 H new ATOM 130 N VAL A 13 -26.275 15.309 -13.960 1.00 0.00 N ATOM 131 CA VAL A 13 -25.137 14.414 -14.083 1.00 0.00 C ATOM 132 C VAL A 13 -24.891 13.722 -12.741 1.00 0.00 C ATOM 133 O VAL A 13 -24.953 14.358 -11.690 1.00 0.00 O ATOM 134 CB VAL A 13 -23.917 15.185 -14.591 1.00 0.00 C ATOM 135 CG1 VAL A 13 -23.363 16.111 -13.506 1.00 0.00 C ATOM 136 CG2 VAL A 13 -22.837 14.229 -15.099 1.00 0.00 C ATOM 0 H VAL A 13 -26.644 15.403 -13.014 1.00 0.00 H new ATOM 0 HA VAL A 13 -25.341 13.635 -14.818 1.00 0.00 H new ATOM 0 HB VAL A 13 -24.237 15.804 -15.429 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -22.496 16.647 -13.893 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -24.131 16.827 -13.212 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -23.067 15.520 -12.640 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -21.981 14.803 -15.454 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -22.522 13.572 -14.288 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -23.237 13.630 -15.917 1.00 0.00 H new ATOM 146 N LEU A 14 -24.616 12.428 -12.820 1.00 0.00 N ATOM 147 CA LEU A 14 -24.360 11.643 -11.624 1.00 0.00 C ATOM 148 C LEU A 14 -23.174 10.710 -11.876 1.00 0.00 C ATOM 149 O LEU A 14 -22.244 11.064 -12.600 1.00 0.00 O ATOM 150 CB LEU A 14 -25.630 10.916 -11.179 1.00 0.00 C ATOM 151 CG LEU A 14 -26.914 11.748 -11.175 1.00 0.00 C ATOM 152 CD1 LEU A 14 -27.353 12.085 -12.601 1.00 0.00 C ATOM 153 CD2 LEU A 14 -28.021 11.046 -10.385 1.00 0.00 C ATOM 0 H LEU A 14 -24.565 11.904 -13.693 1.00 0.00 H new ATOM 0 HA LEU A 14 -24.084 12.293 -10.793 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -25.780 10.056 -11.832 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -25.469 10.528 -10.173 1.00 0.00 H new ATOM 0 HG LEU A 14 -26.708 12.692 -10.670 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -28.268 12.677 -12.570 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -26.568 12.656 -13.098 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -27.536 11.163 -13.153 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -28.922 11.659 -10.398 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -28.234 10.078 -10.839 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -27.696 10.900 -9.355 1.00 0.00 H new ATOM 165 N GLU A 15 -23.244 9.537 -11.264 1.00 0.00 N ATOM 166 CA GLU A 15 -22.187 8.551 -11.413 1.00 0.00 C ATOM 167 C GLU A 15 -22.485 7.320 -10.555 1.00 0.00 C ATOM 168 O GLU A 15 -21.974 7.195 -9.444 1.00 0.00 O ATOM 169 CB GLU A 15 -20.825 9.150 -11.058 1.00 0.00 C ATOM 170 CG GLU A 15 -19.753 8.706 -12.055 1.00 0.00 C ATOM 171 CD GLU A 15 -18.409 8.490 -11.357 1.00 0.00 C ATOM 172 OE1 GLU A 15 -18.203 7.364 -10.857 1.00 0.00 O ATOM 173 OE2 GLU A 15 -17.617 9.458 -11.339 1.00 0.00 O ATOM 0 H GLU A 15 -24.016 9.247 -10.664 1.00 0.00 H new ATOM 0 HA GLU A 15 -22.150 8.241 -12.457 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -20.893 10.238 -11.052 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -20.540 8.843 -10.052 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -20.066 7.783 -12.543 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -19.644 9.458 -12.836 1.00 0.00 H new ATOM 180 N LEU A 16 -23.312 6.442 -11.104 1.00 0.00 N ATOM 181 CA LEU A 16 -23.684 5.225 -10.404 1.00 0.00 C ATOM 182 C LEU A 16 -23.675 4.052 -11.386 1.00 0.00 C ATOM 183 O LEU A 16 -24.615 3.881 -12.162 1.00 0.00 O ATOM 184 CB LEU A 16 -25.019 5.411 -9.680 1.00 0.00 C ATOM 185 CG LEU A 16 -26.189 5.891 -10.542 1.00 0.00 C ATOM 186 CD1 LEU A 16 -27.307 4.848 -10.579 1.00 0.00 C ATOM 187 CD2 LEU A 16 -26.693 7.256 -10.070 1.00 0.00 C ATOM 0 H LEU A 16 -23.735 6.550 -12.026 1.00 0.00 H new ATOM 0 HA LEU A 16 -22.955 4.995 -9.627 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -25.297 4.462 -9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -24.874 6.125 -8.870 1.00 0.00 H new ATOM 0 HG LEU A 16 -25.832 6.016 -11.564 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -28.126 5.214 -11.198 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -26.923 3.918 -10.998 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -27.670 4.668 -9.567 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -27.524 7.574 -10.699 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -27.028 7.182 -9.035 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.886 7.985 -10.139 1.00 0.00 H new ATOM 199 N GLU A 17 -22.604 3.276 -11.322 1.00 0.00 N ATOM 200 CA GLU A 17 -22.461 2.124 -12.196 1.00 0.00 C ATOM 201 C GLU A 17 -21.194 1.342 -11.841 1.00 0.00 C ATOM 202 O GLU A 17 -20.269 1.890 -11.244 1.00 0.00 O ATOM 203 CB GLU A 17 -22.448 2.550 -13.666 1.00 0.00 C ATOM 204 CG GLU A 17 -21.208 3.388 -13.983 1.00 0.00 C ATOM 205 CD GLU A 17 -20.956 3.446 -15.491 1.00 0.00 C ATOM 206 OE1 GLU A 17 -21.072 2.377 -16.127 1.00 0.00 O ATOM 207 OE2 GLU A 17 -20.653 4.559 -15.974 1.00 0.00 O ATOM 0 H GLU A 17 -21.826 3.422 -10.678 1.00 0.00 H new ATOM 0 HA GLU A 17 -23.321 1.471 -12.048 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -22.467 1.667 -14.304 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -23.347 3.125 -13.890 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.338 4.398 -13.593 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.339 2.962 -13.482 1.00 0.00 H new ATOM 214 N LEU A 18 -21.194 0.074 -12.223 1.00 0.00 N ATOM 215 CA LEU A 18 -20.057 -0.789 -11.953 1.00 0.00 C ATOM 216 C LEU A 18 -19.007 -0.601 -13.050 1.00 0.00 C ATOM 217 O LEU A 18 -19.350 -0.411 -14.216 1.00 0.00 O ATOM 218 CB LEU A 18 -20.513 -2.239 -11.780 1.00 0.00 C ATOM 219 CG LEU A 18 -20.931 -2.647 -10.365 1.00 0.00 C ATOM 220 CD1 LEU A 18 -22.013 -3.727 -10.403 1.00 0.00 C ATOM 221 CD2 LEU A 18 -19.718 -3.079 -9.539 1.00 0.00 C ATOM 0 H LEU A 18 -21.964 -0.377 -12.718 1.00 0.00 H new ATOM 0 HA LEU A 18 -19.586 -0.513 -11.010 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -21.353 -2.417 -12.451 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.704 -2.894 -12.101 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.363 -1.776 -9.872 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -22.292 -3.999 -9.385 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -22.888 -3.347 -10.930 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -21.631 -4.606 -10.922 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.042 -3.364 -8.538 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.235 -3.930 -10.020 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -19.012 -2.252 -9.470 1.00 0.00 H new ATOM 233 N ALA A 19 -17.749 -0.662 -12.638 1.00 0.00 N ATOM 234 CA ALA A 19 -16.647 -0.501 -13.572 1.00 0.00 C ATOM 235 C ALA A 19 -15.325 -0.725 -12.836 1.00 0.00 C ATOM 236 O ALA A 19 -14.878 0.135 -12.078 1.00 0.00 O ATOM 237 CB ALA A 19 -16.726 0.882 -14.222 1.00 0.00 C ATOM 0 H ALA A 19 -17.468 -0.821 -11.670 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.709 -1.240 -14.371 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.900 1.003 -14.922 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -17.671 0.980 -14.756 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -16.664 1.650 -13.451 1.00 0.00 H new ATOM 243 N GLU A 20 -14.735 -1.885 -13.086 1.00 0.00 N ATOM 244 CA GLU A 20 -13.472 -2.232 -12.457 1.00 0.00 C ATOM 245 C GLU A 20 -12.471 -2.717 -13.508 1.00 0.00 C ATOM 246 O GLU A 20 -11.576 -3.504 -13.202 1.00 0.00 O ATOM 247 CB GLU A 20 -13.674 -3.286 -11.366 1.00 0.00 C ATOM 248 CG GLU A 20 -12.672 -3.095 -10.226 1.00 0.00 C ATOM 249 CD GLU A 20 -13.342 -2.456 -9.008 1.00 0.00 C ATOM 250 OE1 GLU A 20 -14.139 -3.168 -8.360 1.00 0.00 O ATOM 251 OE2 GLU A 20 -13.042 -1.270 -8.752 1.00 0.00 O ATOM 0 H GLU A 20 -15.108 -2.596 -13.715 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.067 -1.338 -11.983 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.690 -3.221 -10.976 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.559 -4.282 -11.793 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.245 -4.058 -9.947 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.848 -2.467 -10.563 1.00 0.00 H new ATOM 258 N GLU A 21 -12.655 -2.226 -14.724 1.00 0.00 N ATOM 259 CA GLU A 21 -11.779 -2.599 -15.822 1.00 0.00 C ATOM 260 C GLU A 21 -10.330 -2.687 -15.339 1.00 0.00 C ATOM 261 O GLU A 21 -9.554 -3.499 -15.839 1.00 0.00 O ATOM 262 CB GLU A 21 -11.910 -1.615 -16.986 1.00 0.00 C ATOM 263 CG GLU A 21 -12.562 -2.283 -18.199 1.00 0.00 C ATOM 264 CD GLU A 21 -11.979 -1.738 -19.504 1.00 0.00 C ATOM 265 OE1 GLU A 21 -10.864 -2.181 -19.856 1.00 0.00 O ATOM 266 OE2 GLU A 21 -12.661 -0.892 -20.121 1.00 0.00 O ATOM 0 H GLU A 21 -13.398 -1.573 -14.974 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.081 -3.582 -16.184 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.505 -0.756 -16.676 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.925 -1.237 -17.260 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.409 -3.361 -18.151 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.638 -2.112 -18.178 1.00 0.00 H new ATOM 273 N LYS A 22 -10.010 -1.839 -14.372 1.00 0.00 N ATOM 274 CA LYS A 22 -8.668 -1.811 -13.816 1.00 0.00 C ATOM 275 C LYS A 22 -7.648 -1.816 -14.956 1.00 0.00 C ATOM 276 O LYS A 22 -8.014 -1.682 -16.122 1.00 0.00 O ATOM 277 CB LYS A 22 -8.478 -2.954 -12.816 1.00 0.00 C ATOM 278 CG LYS A 22 -8.231 -4.279 -13.539 1.00 0.00 C ATOM 279 CD LYS A 22 -7.699 -5.340 -12.573 1.00 0.00 C ATOM 280 CE LYS A 22 -7.421 -6.656 -13.302 1.00 0.00 C ATOM 281 NZ LYS A 22 -7.916 -7.803 -12.509 1.00 0.00 N ATOM 0 H LYS A 22 -10.657 -1.167 -13.960 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.510 -0.893 -13.250 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.637 -2.732 -12.159 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.362 -3.040 -12.184 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.158 -4.628 -13.993 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.517 -4.128 -14.348 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.784 -4.981 -12.101 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.424 -5.508 -11.776 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.904 -6.646 -14.279 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.350 -6.762 -13.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.719 -8.688 -13.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.436 -7.820 -11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.941 -7.708 -12.364 1.00 0.00 H new ATOM 295 N LEU A 23 -6.387 -1.971 -14.579 1.00 0.00 N ATOM 296 CA LEU A 23 -5.311 -1.995 -15.555 1.00 0.00 C ATOM 297 C LEU A 23 -4.187 -2.900 -15.046 1.00 0.00 C ATOM 298 O LEU A 23 -4.101 -3.177 -13.851 1.00 0.00 O ATOM 299 CB LEU A 23 -4.855 -0.572 -15.884 1.00 0.00 C ATOM 300 CG LEU A 23 -5.539 0.092 -17.081 1.00 0.00 C ATOM 301 CD1 LEU A 23 -5.782 1.579 -16.817 1.00 0.00 C ATOM 302 CD2 LEU A 23 -4.742 -0.140 -18.366 1.00 0.00 C ATOM 0 H LEU A 23 -6.087 -2.081 -13.611 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.659 -2.419 -16.497 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.018 0.053 -15.006 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.781 -0.589 -16.068 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.515 -0.374 -17.219 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.269 2.027 -17.683 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.421 1.693 -15.941 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.829 2.077 -16.638 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.250 0.342 -19.201 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.743 0.282 -18.256 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.664 -1.210 -18.558 1.00 0.00 H new ATOM 314 N PRO A 24 -3.331 -3.346 -16.004 1.00 0.00 N ATOM 315 CA PRO A 24 -2.216 -4.214 -15.665 1.00 0.00 C ATOM 316 C PRO A 24 -1.095 -3.426 -14.983 1.00 0.00 C ATOM 317 O PRO A 24 -1.131 -2.197 -14.945 1.00 0.00 O ATOM 318 CB PRO A 24 -1.786 -4.836 -16.984 1.00 0.00 C ATOM 319 CG PRO A 24 -2.367 -3.948 -18.072 1.00 0.00 C ATOM 320 CD PRO A 24 -3.402 -3.039 -17.429 1.00 0.00 C ATOM 0 HA PRO A 24 -2.488 -4.986 -14.945 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.700 -4.884 -17.058 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.157 -5.857 -17.074 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.581 -3.358 -18.543 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.824 -4.553 -18.855 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.180 -1.989 -17.619 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.399 -3.231 -17.826 1.00 0.00 H new ATOM 328 N MET A 25 -0.128 -4.165 -14.462 1.00 0.00 N ATOM 329 CA MET A 25 1.001 -3.551 -13.783 1.00 0.00 C ATOM 330 C MET A 25 1.440 -2.272 -14.498 1.00 0.00 C ATOM 331 O MET A 25 1.491 -2.229 -15.727 1.00 0.00 O ATOM 332 CB MET A 25 2.169 -4.538 -13.739 1.00 0.00 C ATOM 333 CG MET A 25 2.743 -4.645 -12.325 1.00 0.00 C ATOM 334 SD MET A 25 4.179 -5.705 -12.327 1.00 0.00 S ATOM 335 CE MET A 25 4.527 -5.759 -10.577 1.00 0.00 C ATOM 0 H MET A 25 -0.102 -5.184 -14.496 1.00 0.00 H new ATOM 0 HA MET A 25 0.695 -3.292 -12.769 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.833 -5.519 -14.074 1.00 0.00 H new ATOM 0 HB3 MET A 25 2.949 -4.215 -14.429 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.012 -3.655 -11.957 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.988 -5.043 -11.647 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.606 -5.747 -10.420 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.080 -4.892 -10.090 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.108 -6.671 -10.151 1.00 0.00 H new ATOM 345 N THR A 26 1.746 -1.261 -13.699 1.00 0.00 N ATOM 346 CA THR A 26 2.180 0.017 -14.240 1.00 0.00 C ATOM 347 C THR A 26 3.448 0.494 -13.529 1.00 0.00 C ATOM 348 O THR A 26 4.414 0.893 -14.177 1.00 0.00 O ATOM 349 CB THR A 26 1.013 0.999 -14.125 1.00 0.00 C ATOM 350 OG1 THR A 26 0.926 1.275 -12.730 1.00 0.00 O ATOM 351 CG2 THR A 26 -0.333 0.352 -14.461 1.00 0.00 C ATOM 0 H THR A 26 1.702 -1.300 -12.681 1.00 0.00 H new ATOM 0 HA THR A 26 2.449 -0.069 -15.293 1.00 0.00 H new ATOM 0 HB THR A 26 1.185 1.845 -14.790 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.722 2.224 -12.596 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.127 1.092 -14.364 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.311 -0.024 -15.484 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.521 -0.474 -13.775 1.00 0.00 H new ATOM 359 N LEU A 27 3.403 0.437 -12.206 1.00 0.00 N ATOM 360 CA LEU A 27 4.536 0.859 -11.400 1.00 0.00 C ATOM 361 C LEU A 27 5.401 -0.359 -11.066 1.00 0.00 C ATOM 362 O LEU A 27 4.882 -1.456 -10.868 1.00 0.00 O ATOM 363 CB LEU A 27 4.060 1.632 -10.169 1.00 0.00 C ATOM 364 CG LEU A 27 2.841 2.533 -10.372 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.031 2.660 -9.081 1.00 0.00 C ATOM 366 CD2 LEU A 27 3.254 3.898 -10.926 1.00 0.00 C ATOM 0 H LEU A 27 2.600 0.105 -11.672 1.00 0.00 H new ATOM 0 HA LEU A 27 5.164 1.552 -11.959 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.830 0.915 -9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.885 2.247 -9.809 1.00 0.00 H new ATOM 0 HG LEU A 27 2.193 2.067 -11.114 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.170 3.306 -9.254 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.688 1.674 -8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.657 3.091 -8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.368 4.519 -11.061 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.935 4.384 -10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.754 3.765 -11.886 1.00 0.00 H new ATOM 378 N SER A 28 6.703 -0.124 -11.015 1.00 0.00 N ATOM 379 CA SER A 28 7.644 -1.188 -10.708 1.00 0.00 C ATOM 380 C SER A 28 7.924 -1.222 -9.204 1.00 0.00 C ATOM 381 O SER A 28 7.573 -0.289 -8.483 1.00 0.00 O ATOM 382 CB SER A 28 8.949 -1.010 -11.487 1.00 0.00 C ATOM 383 OG SER A 28 8.784 -1.282 -12.876 1.00 0.00 O ATOM 0 H SER A 28 7.129 0.788 -11.181 1.00 0.00 H new ATOM 0 HA SER A 28 7.198 -2.136 -11.009 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.312 0.010 -11.358 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.710 -1.673 -11.076 1.00 0.00 H new ATOM 0 HG SER A 28 9.639 -1.155 -13.338 1.00 0.00 H new ATOM 389 N ARG A 29 8.552 -2.307 -8.776 1.00 0.00 N ATOM 390 CA ARG A 29 8.883 -2.475 -7.371 1.00 0.00 C ATOM 391 C ARG A 29 9.287 -1.133 -6.757 1.00 0.00 C ATOM 392 O ARG A 29 8.580 -0.598 -5.904 1.00 0.00 O ATOM 393 CB ARG A 29 10.026 -3.476 -7.190 1.00 0.00 C ATOM 394 CG ARG A 29 10.903 -3.539 -8.442 1.00 0.00 C ATOM 395 CD ARG A 29 12.375 -3.729 -8.071 1.00 0.00 C ATOM 396 NE ARG A 29 12.974 -4.794 -8.906 1.00 0.00 N ATOM 397 CZ ARG A 29 12.651 -6.091 -8.815 1.00 0.00 C ATOM 398 NH1 ARG A 29 11.734 -6.492 -7.924 1.00 0.00 N ATOM 399 NH2 ARG A 29 13.246 -6.988 -9.613 1.00 0.00 N ATOM 0 H ARG A 29 8.840 -3.079 -9.377 1.00 0.00 H new ATOM 0 HA ARG A 29 7.997 -2.858 -6.865 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.633 -3.189 -6.331 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.618 -4.464 -6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.576 -4.361 -9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.785 -2.622 -9.019 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.918 -2.795 -8.214 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.462 -3.990 -7.016 1.00 0.00 H new ATOM 0 HE ARG A 29 13.677 -4.524 -9.594 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.282 -5.810 -7.315 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.488 -7.479 -7.855 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.945 -6.683 -10.290 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.000 -7.975 -9.543 1.00 0.00 H new ATOM 413 N GLN A 30 10.423 -0.627 -7.215 1.00 0.00 N ATOM 414 CA GLN A 30 10.930 0.642 -6.721 1.00 0.00 C ATOM 415 C GLN A 30 9.823 1.699 -6.739 1.00 0.00 C ATOM 416 O GLN A 30 9.543 2.327 -5.719 1.00 0.00 O ATOM 417 CB GLN A 30 12.141 1.102 -7.534 1.00 0.00 C ATOM 418 CG GLN A 30 12.787 2.338 -6.904 1.00 0.00 C ATOM 419 CD GLN A 30 14.270 2.429 -7.271 1.00 0.00 C ATOM 420 OE1 GLN A 30 14.701 2.003 -8.329 1.00 0.00 O ATOM 421 NE2 GLN A 30 15.023 3.008 -6.339 1.00 0.00 N ATOM 0 H GLN A 30 11.007 -1.073 -7.923 1.00 0.00 H new ATOM 0 HA GLN A 30 11.257 0.504 -5.690 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.872 0.295 -7.593 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.833 1.328 -8.555 1.00 0.00 H new ATOM 0 HG2 GLN A 30 12.269 3.236 -7.242 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.679 2.297 -5.820 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.597 3.343 -5.475 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.026 3.117 -6.489 1.00 0.00 H new ATOM 430 N GLU A 31 9.225 1.863 -7.910 1.00 0.00 N ATOM 431 CA GLU A 31 8.156 2.832 -8.075 1.00 0.00 C ATOM 432 C GLU A 31 7.088 2.633 -6.998 1.00 0.00 C ATOM 433 O GLU A 31 6.365 3.567 -6.654 1.00 0.00 O ATOM 434 CB GLU A 31 7.546 2.744 -9.475 1.00 0.00 C ATOM 435 CG GLU A 31 6.757 4.011 -9.811 1.00 0.00 C ATOM 436 CD GLU A 31 7.671 5.086 -10.401 1.00 0.00 C ATOM 437 OE1 GLU A 31 8.621 5.477 -9.688 1.00 0.00 O ATOM 438 OE2 GLU A 31 7.400 5.493 -11.551 1.00 0.00 O ATOM 0 H GLU A 31 9.461 1.341 -8.754 1.00 0.00 H new ATOM 0 HA GLU A 31 8.578 3.831 -7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.336 2.598 -10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.890 1.876 -9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.965 3.773 -10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.275 4.393 -8.911 1.00 0.00 H new ATOM 445 N VAL A 32 7.021 1.409 -6.495 1.00 0.00 N ATOM 446 CA VAL A 32 6.054 1.074 -5.464 1.00 0.00 C ATOM 447 C VAL A 32 6.696 1.261 -4.088 1.00 0.00 C ATOM 448 O VAL A 32 6.031 1.674 -3.139 1.00 0.00 O ATOM 449 CB VAL A 32 5.519 -0.342 -5.687 1.00 0.00 C ATOM 450 CG1 VAL A 32 4.702 -0.816 -4.484 1.00 0.00 C ATOM 451 CG2 VAL A 32 4.696 -0.421 -6.974 1.00 0.00 C ATOM 0 H VAL A 32 7.622 0.636 -6.783 1.00 0.00 H new ATOM 0 HA VAL A 32 5.195 1.743 -5.515 1.00 0.00 H new ATOM 0 HB VAL A 32 6.374 -1.009 -5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.334 -1.825 -4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.332 -0.817 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.858 -0.144 -4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.328 -1.438 -7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.852 0.265 -6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.322 -0.146 -7.823 1.00 0.00 H new ATOM 461 N ILE A 33 7.982 0.947 -4.023 1.00 0.00 N ATOM 462 CA ILE A 33 8.721 1.075 -2.779 1.00 0.00 C ATOM 463 C ILE A 33 8.828 2.555 -2.404 1.00 0.00 C ATOM 464 O ILE A 33 8.736 2.909 -1.230 1.00 0.00 O ATOM 465 CB ILE A 33 10.074 0.368 -2.884 1.00 0.00 C ATOM 466 CG1 ILE A 33 9.900 -1.152 -2.878 1.00 0.00 C ATOM 467 CG2 ILE A 33 11.027 0.840 -1.784 1.00 0.00 C ATOM 468 CD1 ILE A 33 11.222 -1.857 -3.188 1.00 0.00 C ATOM 0 H ILE A 33 8.530 0.604 -4.812 1.00 0.00 H new ATOM 0 HA ILE A 33 8.190 0.578 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 33 10.526 0.637 -3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.531 -1.475 -1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.150 -1.439 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.981 0.322 -1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.186 1.914 -1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.593 0.621 -0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.070 -2.936 -3.177 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.576 -1.550 -4.172 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.963 -1.588 -2.436 1.00 0.00 H new ATOM 480 N ARG A 34 9.021 3.378 -3.424 1.00 0.00 N ATOM 481 CA ARG A 34 9.141 4.811 -3.216 1.00 0.00 C ATOM 482 C ARG A 34 7.953 5.332 -2.404 1.00 0.00 C ATOM 483 O ARG A 34 8.102 5.679 -1.234 1.00 0.00 O ATOM 484 CB ARG A 34 9.205 5.558 -4.550 1.00 0.00 C ATOM 485 CG ARG A 34 9.448 7.052 -4.331 1.00 0.00 C ATOM 486 CD ARG A 34 9.284 7.832 -5.637 1.00 0.00 C ATOM 487 NE ARG A 34 10.422 8.760 -5.818 1.00 0.00 N ATOM 488 CZ ARG A 34 11.683 8.368 -6.046 1.00 0.00 C ATOM 489 NH1 ARG A 34 11.975 7.063 -6.122 1.00 0.00 N ATOM 490 NH2 ARG A 34 12.652 9.281 -6.198 1.00 0.00 N ATOM 0 H ARG A 34 9.097 3.080 -4.397 1.00 0.00 H new ATOM 0 HA ARG A 34 10.066 4.989 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.003 5.143 -5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.273 5.414 -5.097 1.00 0.00 H new ATOM 0 HG2 ARG A 34 8.749 7.432 -3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.452 7.206 -3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.230 7.141 -6.478 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.348 8.390 -5.622 1.00 0.00 H new ATOM 0 HE ARG A 34 10.235 9.761 -5.766 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.238 6.368 -6.006 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.935 6.764 -6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.430 10.275 -6.140 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.612 8.982 -6.372 1.00 0.00 H new ATOM 504 N ARG A 35 6.802 5.369 -3.058 1.00 0.00 N ATOM 505 CA ARG A 35 5.589 5.841 -2.412 1.00 0.00 C ATOM 506 C ARG A 35 5.440 5.201 -1.030 1.00 0.00 C ATOM 507 O ARG A 35 5.465 5.895 -0.014 1.00 0.00 O ATOM 508 CB ARG A 35 4.353 5.515 -3.253 1.00 0.00 C ATOM 509 CG ARG A 35 4.263 6.434 -4.473 1.00 0.00 C ATOM 510 CD ARG A 35 4.036 5.625 -5.752 1.00 0.00 C ATOM 511 NE ARG A 35 3.531 6.509 -6.826 1.00 0.00 N ATOM 512 CZ ARG A 35 4.309 7.308 -7.570 1.00 0.00 C ATOM 513 NH1 ARG A 35 5.632 7.339 -7.360 1.00 0.00 N ATOM 514 NH2 ARG A 35 3.763 8.076 -8.523 1.00 0.00 N ATOM 0 H ARG A 35 6.683 5.080 -4.029 1.00 0.00 H new ATOM 0 HA ARG A 35 5.669 6.923 -2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.394 4.475 -3.578 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.455 5.624 -2.644 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.448 7.145 -4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.181 7.015 -4.564 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.968 5.154 -6.065 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.322 4.823 -5.563 1.00 0.00 H new ATOM 0 HE ARG A 35 2.528 6.510 -7.012 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.047 6.755 -6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.224 7.947 -7.926 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.756 8.053 -8.682 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.355 8.684 -9.089 1.00 0.00 H new ATOM 528 N LEU A 36 5.289 3.885 -1.036 1.00 0.00 N ATOM 529 CA LEU A 36 5.136 3.143 0.204 1.00 0.00 C ATOM 530 C LEU A 36 6.067 3.734 1.264 1.00 0.00 C ATOM 531 O LEU A 36 5.607 4.285 2.263 1.00 0.00 O ATOM 532 CB LEU A 36 5.348 1.647 -0.036 1.00 0.00 C ATOM 533 CG LEU A 36 4.286 0.948 -0.888 1.00 0.00 C ATOM 534 CD1 LEU A 36 4.654 -0.518 -1.127 1.00 0.00 C ATOM 535 CD2 LEU A 36 2.897 1.097 -0.265 1.00 0.00 C ATOM 0 H LEU A 36 5.269 3.313 -1.880 1.00 0.00 H new ATOM 0 HA LEU A 36 4.118 3.239 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.318 1.510 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.396 1.147 0.931 1.00 0.00 H new ATOM 0 HG LEU A 36 4.254 1.435 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.883 -0.992 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.611 -0.573 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.730 -1.035 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.161 0.591 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.895 0.652 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.644 2.154 -0.190 1.00 0.00 H new ATOM 547 N ARG A 37 7.361 3.598 1.011 1.00 0.00 N ATOM 548 CA ARG A 37 8.361 4.111 1.931 1.00 0.00 C ATOM 549 C ARG A 37 7.982 5.518 2.397 1.00 0.00 C ATOM 550 O ARG A 37 7.915 5.782 3.597 1.00 0.00 O ATOM 551 CB ARG A 37 9.743 4.153 1.276 1.00 0.00 C ATOM 552 CG ARG A 37 10.510 2.854 1.530 1.00 0.00 C ATOM 553 CD ARG A 37 12.020 3.079 1.420 1.00 0.00 C ATOM 554 NE ARG A 37 12.746 1.902 1.947 1.00 0.00 N ATOM 555 CZ ARG A 37 14.045 1.907 2.278 1.00 0.00 C ATOM 556 NH1 ARG A 37 14.767 3.026 2.140 1.00 0.00 N ATOM 557 NH2 ARG A 37 14.620 0.792 2.749 1.00 0.00 N ATOM 0 H ARG A 37 7.739 3.140 0.182 1.00 0.00 H new ATOM 0 HA ARG A 37 8.398 3.439 2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.636 4.312 0.203 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.310 4.997 1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.267 2.472 2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.198 2.097 0.811 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.296 3.251 0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.305 3.972 1.977 1.00 0.00 H new ATOM 0 HE ARG A 37 12.226 1.033 2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.329 3.875 1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.755 3.030 2.392 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.069 -0.060 2.855 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.608 0.795 3.001 1.00 0.00 H new ATOM 571 N GLU A 38 7.744 6.385 1.424 1.00 0.00 N ATOM 572 CA GLU A 38 7.373 7.759 1.718 1.00 0.00 C ATOM 573 C GLU A 38 6.111 7.794 2.583 1.00 0.00 C ATOM 574 O GLU A 38 5.934 8.703 3.392 1.00 0.00 O ATOM 575 CB GLU A 38 7.179 8.563 0.432 1.00 0.00 C ATOM 576 CG GLU A 38 8.521 9.055 -0.115 1.00 0.00 C ATOM 577 CD GLU A 38 8.433 10.521 -0.544 1.00 0.00 C ATOM 578 OE1 GLU A 38 7.751 10.775 -1.561 1.00 0.00 O ATOM 579 OE2 GLU A 38 9.049 11.355 0.154 1.00 0.00 O ATOM 0 H GLU A 38 7.801 6.162 0.430 1.00 0.00 H new ATOM 0 HA GLU A 38 8.186 8.222 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.682 7.945 -0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.527 9.415 0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.292 8.941 0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.819 8.441 -0.965 1.00 0.00 H new ATOM 586 N ARG A 39 5.267 6.793 2.382 1.00 0.00 N ATOM 587 CA ARG A 39 4.027 6.698 3.133 1.00 0.00 C ATOM 588 C ARG A 39 4.251 5.925 4.434 1.00 0.00 C ATOM 589 O ARG A 39 3.328 5.758 5.228 1.00 0.00 O ATOM 590 CB ARG A 39 2.939 6.000 2.314 1.00 0.00 C ATOM 591 CG ARG A 39 2.832 6.607 0.914 1.00 0.00 C ATOM 592 CD ARG A 39 1.451 7.227 0.689 1.00 0.00 C ATOM 593 NE ARG A 39 1.593 8.587 0.124 1.00 0.00 N ATOM 594 CZ ARG A 39 1.950 9.664 0.838 1.00 0.00 C ATOM 595 NH1 ARG A 39 2.204 9.544 2.148 1.00 0.00 N ATOM 596 NH2 ARG A 39 2.054 10.859 0.241 1.00 0.00 N ATOM 0 H ARG A 39 5.417 6.041 1.710 1.00 0.00 H new ATOM 0 HA ARG A 39 3.700 7.712 3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.163 4.936 2.237 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.981 6.087 2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.602 7.368 0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.015 5.837 0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.869 6.602 0.012 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.905 7.271 1.631 1.00 0.00 H new ATOM 0 HE ARG A 39 1.408 8.713 -0.871 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.126 8.634 2.601 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.476 10.363 2.692 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.862 10.949 -0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.326 11.679 0.784 1.00 0.00 H new ATOM 610 N GLY A 40 5.485 5.474 4.611 1.00 0.00 N ATOM 611 CA GLY A 40 5.843 4.722 5.802 1.00 0.00 C ATOM 612 C GLY A 40 5.293 3.296 5.736 1.00 0.00 C ATOM 613 O GLY A 40 5.297 2.579 6.735 1.00 0.00 O ATOM 0 H GLY A 40 6.249 5.615 3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.928 4.693 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.452 5.226 6.686 1.00 0.00 H new ATOM 617 N GLU A 41 4.834 2.927 4.549 1.00 0.00 N ATOM 618 CA GLU A 41 4.283 1.599 4.339 1.00 0.00 C ATOM 619 C GLU A 41 5.409 0.574 4.193 1.00 0.00 C ATOM 620 O GLU A 41 6.532 0.927 3.836 1.00 0.00 O ATOM 621 CB GLU A 41 3.358 1.576 3.121 1.00 0.00 C ATOM 622 CG GLU A 41 2.216 2.582 3.279 1.00 0.00 C ATOM 623 CD GLU A 41 1.040 1.961 4.036 1.00 0.00 C ATOM 624 OE1 GLU A 41 1.039 0.717 4.161 1.00 0.00 O ATOM 625 OE2 GLU A 41 0.169 2.744 4.472 1.00 0.00 O ATOM 0 H GLU A 41 4.832 3.525 3.723 1.00 0.00 H new ATOM 0 HA GLU A 41 3.687 1.332 5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.929 1.808 2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.949 0.574 2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.573 3.462 3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.884 2.918 2.297 1.00 0.00 H new ATOM 632 N PRO A 42 5.060 -0.708 4.483 1.00 0.00 N ATOM 633 CA PRO A 42 6.029 -1.787 4.387 1.00 0.00 C ATOM 634 C PRO A 42 6.298 -2.154 2.927 1.00 0.00 C ATOM 635 O PRO A 42 5.392 -2.584 2.214 1.00 0.00 O ATOM 636 CB PRO A 42 5.424 -2.930 5.185 1.00 0.00 C ATOM 637 CG PRO A 42 3.942 -2.615 5.308 1.00 0.00 C ATOM 638 CD PRO A 42 3.740 -1.163 4.908 1.00 0.00 C ATOM 0 HA PRO A 42 7.005 -1.513 4.786 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.580 -3.884 4.681 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.889 -3.009 6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.357 -3.273 4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.600 -2.781 6.330 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.012 -1.072 4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.367 -0.570 5.743 1.00 0.00 H new ATOM 646 N ILE A 43 7.547 -1.971 2.524 1.00 0.00 N ATOM 647 CA ILE A 43 7.947 -2.278 1.161 1.00 0.00 C ATOM 648 C ILE A 43 7.544 -3.716 0.828 1.00 0.00 C ATOM 649 O ILE A 43 7.357 -4.057 -0.339 1.00 0.00 O ATOM 650 CB ILE A 43 9.437 -1.995 0.964 1.00 0.00 C ATOM 651 CG1 ILE A 43 10.289 -2.886 1.870 1.00 0.00 C ATOM 652 CG2 ILE A 43 9.745 -0.510 1.167 1.00 0.00 C ATOM 653 CD1 ILE A 43 11.631 -3.214 1.211 1.00 0.00 C ATOM 0 H ILE A 43 8.296 -1.614 3.118 1.00 0.00 H new ATOM 0 HA ILE A 43 7.427 -1.630 0.456 1.00 0.00 H new ATOM 0 HB ILE A 43 9.698 -2.240 -0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.460 -2.384 2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.752 -3.809 2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 43 10.811 -0.336 1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.179 0.081 0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.464 -0.215 2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.217 -3.848 1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.456 -3.737 0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.176 -2.290 1.017 1.00 0.00 H new ATOM 665 N ARG A 44 7.423 -4.520 1.873 1.00 0.00 N ATOM 666 CA ARG A 44 7.046 -5.914 1.706 1.00 0.00 C ATOM 667 C ARG A 44 6.118 -6.352 2.840 1.00 0.00 C ATOM 668 O ARG A 44 6.421 -6.139 4.013 1.00 0.00 O ATOM 669 CB ARG A 44 8.279 -6.819 1.686 1.00 0.00 C ATOM 670 CG ARG A 44 7.877 -8.295 1.721 1.00 0.00 C ATOM 671 CD ARG A 44 7.018 -8.658 0.507 1.00 0.00 C ATOM 672 NE ARG A 44 7.499 -9.922 -0.093 1.00 0.00 N ATOM 673 CZ ARG A 44 8.670 -10.053 -0.731 1.00 0.00 C ATOM 674 NH1 ARG A 44 9.487 -8.997 -0.856 1.00 0.00 N ATOM 675 NH2 ARG A 44 9.025 -11.238 -1.245 1.00 0.00 N ATOM 0 H ARG A 44 7.579 -4.233 2.839 1.00 0.00 H new ATOM 0 HA ARG A 44 6.527 -6.006 0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.866 -6.620 0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.915 -6.591 2.541 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.771 -8.919 1.738 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.325 -8.504 2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.975 -8.762 0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.059 -7.857 -0.231 1.00 0.00 H new ATOM 0 HE ARG A 44 6.902 -10.745 -0.016 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.217 -8.094 -0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.378 -9.097 -1.342 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.404 -12.041 -1.151 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.917 -11.337 -1.731 1.00 0.00 H new ATOM 689 N LEU A 45 5.005 -6.958 2.451 1.00 0.00 N ATOM 690 CA LEU A 45 4.031 -7.428 3.420 1.00 0.00 C ATOM 691 C LEU A 45 4.345 -8.879 3.790 1.00 0.00 C ATOM 692 O LEU A 45 5.411 -9.392 3.453 1.00 0.00 O ATOM 693 CB LEU A 45 2.609 -7.223 2.893 1.00 0.00 C ATOM 694 CG LEU A 45 1.768 -6.174 3.625 1.00 0.00 C ATOM 695 CD1 LEU A 45 0.290 -6.300 3.253 1.00 0.00 C ATOM 696 CD2 LEU A 45 1.987 -6.254 5.137 1.00 0.00 C ATOM 0 H LEU A 45 4.757 -7.134 1.477 1.00 0.00 H new ATOM 0 HA LEU A 45 4.094 -6.843 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.669 -6.943 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.084 -8.177 2.939 1.00 0.00 H new ATOM 0 HG LEU A 45 2.098 -5.186 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.285 -5.543 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.171 -6.156 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.071 -7.291 3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.378 -5.498 5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.700 -7.243 5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.039 -6.078 5.362 1.00 0.00 H new ATOM 708 N PHE A 46 3.399 -9.500 4.478 1.00 0.00 N ATOM 709 CA PHE A 46 3.561 -10.881 4.898 1.00 0.00 C ATOM 710 C PHE A 46 3.439 -11.834 3.707 1.00 0.00 C ATOM 711 O PHE A 46 2.353 -12.333 3.415 1.00 0.00 O ATOM 712 CB PHE A 46 2.439 -11.182 5.894 1.00 0.00 C ATOM 713 CG PHE A 46 2.860 -11.063 7.360 1.00 0.00 C ATOM 714 CD1 PHE A 46 2.819 -9.855 7.983 1.00 0.00 C ATOM 715 CD2 PHE A 46 3.276 -12.166 8.039 1.00 0.00 C ATOM 716 CE1 PHE A 46 3.210 -9.745 9.344 1.00 0.00 C ATOM 717 CE2 PHE A 46 3.666 -12.056 9.400 1.00 0.00 C ATOM 718 CZ PHE A 46 3.626 -10.848 10.024 1.00 0.00 C ATOM 0 H PHE A 46 2.516 -9.071 4.756 1.00 0.00 H new ATOM 0 HA PHE A 46 4.547 -11.021 5.342 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.610 -10.500 5.708 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.068 -12.191 5.714 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.489 -8.980 7.443 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.310 -13.125 7.543 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.177 -8.786 9.839 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.994 -12.932 9.940 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.924 -10.764 11.059 1.00 0.00 H new ATOM 728 N GLY A 47 4.568 -12.058 3.050 1.00 0.00 N ATOM 729 CA GLY A 47 4.600 -12.942 1.898 1.00 0.00 C ATOM 730 C GLY A 47 3.832 -12.337 0.721 1.00 0.00 C ATOM 731 O GLY A 47 2.906 -12.955 0.196 1.00 0.00 O ATOM 0 H GLY A 47 5.467 -11.642 3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.634 -13.127 1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.166 -13.906 2.163 1.00 0.00 H new ATOM 735 N GLU A 48 4.243 -11.136 0.341 1.00 0.00 N ATOM 736 CA GLU A 48 3.605 -10.441 -0.764 1.00 0.00 C ATOM 737 C GLU A 48 4.540 -10.396 -1.974 1.00 0.00 C ATOM 738 O GLU A 48 5.718 -10.068 -1.841 1.00 0.00 O ATOM 739 CB GLU A 48 3.175 -9.033 -0.350 1.00 0.00 C ATOM 740 CG GLU A 48 1.654 -8.943 -0.206 1.00 0.00 C ATOM 741 CD GLU A 48 1.157 -7.527 -0.503 1.00 0.00 C ATOM 742 OE1 GLU A 48 2.019 -6.624 -0.562 1.00 0.00 O ATOM 743 OE2 GLU A 48 -0.074 -7.380 -0.664 1.00 0.00 O ATOM 0 H GLU A 48 5.010 -10.626 0.779 1.00 0.00 H new ATOM 0 HA GLU A 48 2.707 -10.992 -1.045 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.649 -8.767 0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.517 -8.312 -1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.178 -9.649 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.363 -9.230 0.805 1.00 0.00 H new ATOM 750 N THR A 49 3.980 -10.731 -3.127 1.00 0.00 N ATOM 751 CA THR A 49 4.749 -10.733 -4.360 1.00 0.00 C ATOM 752 C THR A 49 4.763 -9.335 -4.981 1.00 0.00 C ATOM 753 O THR A 49 3.895 -8.513 -4.690 1.00 0.00 O ATOM 754 CB THR A 49 4.161 -11.802 -5.282 1.00 0.00 C ATOM 755 OG1 THR A 49 5.066 -11.847 -6.382 1.00 0.00 O ATOM 756 CG2 THR A 49 2.834 -11.370 -5.909 1.00 0.00 C ATOM 0 H THR A 49 3.003 -11.003 -3.233 1.00 0.00 H new ATOM 0 HA THR A 49 5.794 -10.983 -4.175 1.00 0.00 H new ATOM 0 HB THR A 49 4.013 -12.724 -4.720 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.761 -12.517 -7.029 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.460 -12.165 -6.554 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.107 -11.170 -5.121 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.987 -10.466 -6.499 1.00 0.00 H new ATOM 764 N ASP A 50 5.758 -9.108 -5.827 1.00 0.00 N ATOM 765 CA ASP A 50 5.897 -7.824 -6.492 1.00 0.00 C ATOM 766 C ASP A 50 4.513 -7.315 -6.902 1.00 0.00 C ATOM 767 O ASP A 50 4.205 -6.136 -6.731 1.00 0.00 O ATOM 768 CB ASP A 50 6.749 -7.948 -7.756 1.00 0.00 C ATOM 769 CG ASP A 50 8.158 -7.361 -7.647 1.00 0.00 C ATOM 770 OD1 ASP A 50 8.246 -6.144 -7.374 1.00 0.00 O ATOM 771 OD2 ASP A 50 9.114 -8.142 -7.838 1.00 0.00 O ATOM 0 H ASP A 50 6.475 -9.792 -6.067 1.00 0.00 H new ATOM 0 HA ASP A 50 6.379 -7.135 -5.799 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.831 -9.003 -8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.229 -7.454 -8.577 1.00 0.00 H new ATOM 776 N TYR A 51 3.716 -8.228 -7.436 1.00 0.00 N ATOM 777 CA TYR A 51 2.373 -7.887 -7.872 1.00 0.00 C ATOM 778 C TYR A 51 1.524 -7.395 -6.699 1.00 0.00 C ATOM 779 O TYR A 51 1.098 -6.241 -6.676 1.00 0.00 O ATOM 780 CB TYR A 51 1.766 -9.180 -8.419 1.00 0.00 C ATOM 781 CG TYR A 51 0.816 -8.971 -9.601 1.00 0.00 C ATOM 782 CD1 TYR A 51 0.108 -7.792 -9.716 1.00 0.00 C ATOM 783 CD2 TYR A 51 0.668 -9.962 -10.550 1.00 0.00 C ATOM 784 CE1 TYR A 51 -0.786 -7.596 -10.828 1.00 0.00 C ATOM 785 CE2 TYR A 51 -0.226 -9.765 -11.662 1.00 0.00 C ATOM 786 CZ TYR A 51 -0.909 -8.591 -11.746 1.00 0.00 C ATOM 787 OH TYR A 51 -1.753 -8.406 -12.796 1.00 0.00 O ATOM 0 H TYR A 51 3.975 -9.205 -7.577 1.00 0.00 H new ATOM 0 HA TYR A 51 2.402 -7.091 -8.616 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.572 -9.846 -8.727 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.226 -9.684 -7.617 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.224 -7.017 -8.973 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.222 -10.885 -10.459 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.346 -6.678 -10.930 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.351 -10.532 -12.412 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.738 -9.199 -13.371 1.00 0.00 H new ATOM 797 N ASP A 52 1.303 -8.295 -5.752 1.00 0.00 N ATOM 798 CA ASP A 52 0.512 -7.967 -4.578 1.00 0.00 C ATOM 799 C ASP A 52 1.052 -6.682 -3.947 1.00 0.00 C ATOM 800 O ASP A 52 0.281 -5.801 -3.569 1.00 0.00 O ATOM 801 CB ASP A 52 0.595 -9.079 -3.530 1.00 0.00 C ATOM 802 CG ASP A 52 -0.737 -9.753 -3.195 1.00 0.00 C ATOM 803 OD1 ASP A 52 -1.774 -9.207 -3.628 1.00 0.00 O ATOM 804 OD2 ASP A 52 -0.688 -10.800 -2.514 1.00 0.00 O ATOM 0 H ASP A 52 1.658 -9.251 -5.774 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.524 -7.844 -4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.291 -9.840 -3.884 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.015 -8.664 -2.614 1.00 0.00 H new ATOM 809 N ALA A 53 2.372 -6.616 -3.854 1.00 0.00 N ATOM 810 CA ALA A 53 3.023 -5.453 -3.276 1.00 0.00 C ATOM 811 C ALA A 53 2.645 -4.208 -4.082 1.00 0.00 C ATOM 812 O ALA A 53 2.281 -3.181 -3.510 1.00 0.00 O ATOM 813 CB ALA A 53 4.535 -5.683 -3.234 1.00 0.00 C ATOM 0 H ALA A 53 3.008 -7.349 -4.169 1.00 0.00 H new ATOM 0 HA ALA A 53 2.688 -5.296 -2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.024 -4.811 -2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.753 -6.561 -2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.907 -5.842 -4.246 1.00 0.00 H new ATOM 819 N PHE A 54 2.744 -4.341 -5.396 1.00 0.00 N ATOM 820 CA PHE A 54 2.416 -3.240 -6.286 1.00 0.00 C ATOM 821 C PHE A 54 0.967 -2.791 -6.093 1.00 0.00 C ATOM 822 O PHE A 54 0.682 -1.595 -6.062 1.00 0.00 O ATOM 823 CB PHE A 54 2.592 -3.754 -7.717 1.00 0.00 C ATOM 824 CG PHE A 54 1.731 -3.025 -8.750 1.00 0.00 C ATOM 825 CD1 PHE A 54 1.964 -1.713 -9.025 1.00 0.00 C ATOM 826 CD2 PHE A 54 0.734 -3.688 -9.394 1.00 0.00 C ATOM 827 CE1 PHE A 54 1.165 -1.036 -9.984 1.00 0.00 C ATOM 828 CE2 PHE A 54 -0.065 -3.011 -10.353 1.00 0.00 C ATOM 829 CZ PHE A 54 0.167 -1.699 -10.628 1.00 0.00 C ATOM 0 H PHE A 54 3.047 -5.194 -5.866 1.00 0.00 H new ATOM 0 HA PHE A 54 3.063 -2.388 -6.077 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.640 -3.658 -8.000 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.351 -4.817 -7.743 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.757 -1.187 -8.514 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.550 -4.730 -9.176 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.350 0.005 -10.202 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.857 -3.538 -10.864 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.441 -1.184 -11.357 1.00 0.00 H new ATOM 839 N GLN A 55 0.088 -3.775 -5.968 1.00 0.00 N ATOM 840 CA GLN A 55 -1.326 -3.496 -5.778 1.00 0.00 C ATOM 841 C GLN A 55 -1.533 -2.630 -4.533 1.00 0.00 C ATOM 842 O GLN A 55 -2.123 -1.554 -4.613 1.00 0.00 O ATOM 843 CB GLN A 55 -2.133 -4.792 -5.685 1.00 0.00 C ATOM 844 CG GLN A 55 -1.926 -5.657 -6.930 1.00 0.00 C ATOM 845 CD GLN A 55 -2.259 -7.122 -6.642 1.00 0.00 C ATOM 846 OE1 GLN A 55 -2.592 -7.503 -5.531 1.00 0.00 O ATOM 847 NE2 GLN A 55 -2.152 -7.920 -7.700 1.00 0.00 N ATOM 0 H GLN A 55 0.327 -4.766 -5.995 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.687 -2.944 -6.645 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.833 -5.349 -4.797 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.192 -4.558 -5.572 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.555 -5.290 -7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.893 -5.575 -7.266 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.868 -7.536 -8.602 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.354 -8.916 -7.610 1.00 0.00 H new ATOM 856 N ARG A 56 -1.038 -3.133 -3.412 1.00 0.00 N ATOM 857 CA ARG A 56 -1.162 -2.420 -2.153 1.00 0.00 C ATOM 858 C ARG A 56 -0.972 -0.917 -2.373 1.00 0.00 C ATOM 859 O ARG A 56 -1.881 -0.129 -2.117 1.00 0.00 O ATOM 860 CB ARG A 56 -0.130 -2.913 -1.136 1.00 0.00 C ATOM 861 CG ARG A 56 -0.658 -2.772 0.293 1.00 0.00 C ATOM 862 CD ARG A 56 -0.180 -3.931 1.171 1.00 0.00 C ATOM 863 NE ARG A 56 -0.858 -5.184 0.769 1.00 0.00 N ATOM 864 CZ ARG A 56 -2.157 -5.435 0.978 1.00 0.00 C ATOM 865 NH1 ARG A 56 -2.927 -4.522 1.585 1.00 0.00 N ATOM 866 NH2 ARG A 56 -2.686 -6.600 0.579 1.00 0.00 N ATOM 0 H ARG A 56 -0.550 -4.026 -3.350 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.161 -2.611 -1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.113 -3.956 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.793 -2.344 -1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.321 -1.826 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.748 -2.745 0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.900 -4.046 1.079 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.389 -3.715 2.219 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.301 -5.901 0.304 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.524 -3.635 1.888 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.916 -4.714 1.744 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.099 -7.295 0.117 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.675 -6.792 0.738 1.00 0.00 H new ATOM 880 N LEU A 57 0.214 -0.566 -2.846 1.00 0.00 N ATOM 881 CA LEU A 57 0.535 0.828 -3.104 1.00 0.00 C ATOM 882 C LEU A 57 -0.464 1.398 -4.113 1.00 0.00 C ATOM 883 O LEU A 57 -1.074 2.437 -3.869 1.00 0.00 O ATOM 884 CB LEU A 57 1.995 0.971 -3.535 1.00 0.00 C ATOM 885 CG LEU A 57 2.432 2.371 -3.971 1.00 0.00 C ATOM 886 CD1 LEU A 57 2.120 2.608 -5.450 1.00 0.00 C ATOM 887 CD2 LEU A 57 1.808 3.443 -3.075 1.00 0.00 C ATOM 0 H LEU A 57 0.965 -1.223 -3.058 1.00 0.00 H new ATOM 0 HA LEU A 57 0.438 1.417 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.630 0.655 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.179 0.282 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 57 3.513 2.443 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.441 3.610 -5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.649 1.873 -6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.047 2.510 -5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.134 4.429 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.721 3.381 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.123 3.284 -2.044 1.00 0.00 H new ATOM 899 N ARG A 58 -0.599 0.692 -5.227 1.00 0.00 N ATOM 900 CA ARG A 58 -1.512 1.115 -6.274 1.00 0.00 C ATOM 901 C ARG A 58 -2.858 1.523 -5.672 1.00 0.00 C ATOM 902 O ARG A 58 -3.591 2.316 -6.261 1.00 0.00 O ATOM 903 CB ARG A 58 -1.736 -0.003 -7.294 1.00 0.00 C ATOM 904 CG ARG A 58 -1.304 0.437 -8.694 1.00 0.00 C ATOM 905 CD ARG A 58 -2.200 1.562 -9.216 1.00 0.00 C ATOM 906 NE ARG A 58 -1.434 2.432 -10.136 1.00 0.00 N ATOM 907 CZ ARG A 58 -1.854 3.633 -10.558 1.00 0.00 C ATOM 908 NH1 ARG A 58 -3.035 4.112 -10.146 1.00 0.00 N ATOM 909 NH2 ARG A 58 -1.093 4.354 -11.393 1.00 0.00 N ATOM 0 H ARG A 58 -0.091 -0.170 -5.426 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.063 1.969 -6.780 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.174 -0.888 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.789 -0.283 -7.306 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.268 0.774 -8.670 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.347 -0.413 -9.375 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.062 1.141 -9.733 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.584 2.149 -8.382 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.530 2.097 -10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.615 3.563 -9.511 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.355 5.026 -10.467 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.194 3.989 -11.708 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.413 5.268 -11.714 1.00 0.00 H new ATOM 923 N LYS A 59 -3.142 0.964 -4.505 1.00 0.00 N ATOM 924 CA LYS A 59 -4.387 1.260 -3.816 1.00 0.00 C ATOM 925 C LYS A 59 -4.166 2.426 -2.852 1.00 0.00 C ATOM 926 O LYS A 59 -5.052 3.259 -2.666 1.00 0.00 O ATOM 927 CB LYS A 59 -4.940 0.002 -3.144 1.00 0.00 C ATOM 928 CG LYS A 59 -6.442 -0.142 -3.398 1.00 0.00 C ATOM 929 CD LYS A 59 -7.046 -1.232 -2.511 1.00 0.00 C ATOM 930 CE LYS A 59 -8.468 -1.576 -2.958 1.00 0.00 C ATOM 931 NZ LYS A 59 -8.904 -2.857 -2.359 1.00 0.00 N ATOM 0 H LYS A 59 -2.531 0.307 -4.019 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.151 1.575 -4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.418 -0.876 -3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.752 0.046 -2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.940 0.808 -3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.616 -0.384 -4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.422 -2.125 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.058 -0.897 -1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.151 -0.779 -2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.507 -1.644 -4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.871 -3.076 -2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.262 -3.618 -2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.886 -2.779 -1.322 1.00 0.00 H new ATOM 945 N ILE A 60 -2.979 2.449 -2.263 1.00 0.00 N ATOM 946 CA ILE A 60 -2.631 3.500 -1.322 1.00 0.00 C ATOM 947 C ILE A 60 -2.670 4.852 -2.037 1.00 0.00 C ATOM 948 O ILE A 60 -3.223 5.819 -1.514 1.00 0.00 O ATOM 949 CB ILE A 60 -1.289 3.196 -0.653 1.00 0.00 C ATOM 950 CG1 ILE A 60 -1.406 2.001 0.294 1.00 0.00 C ATOM 951 CG2 ILE A 60 -0.736 4.436 0.054 1.00 0.00 C ATOM 952 CD1 ILE A 60 -0.108 1.792 1.077 1.00 0.00 C ATOM 0 H ILE A 60 -2.246 1.757 -2.419 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.361 3.546 -0.514 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.575 2.922 -1.429 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.231 2.162 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.639 1.102 -0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.218 4.193 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.591 5.235 -0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.441 4.764 0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.219 0.936 1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.711 1.607 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.110 2.683 1.665 1.00 0.00 H new ATOM 964 N GLU A 61 -2.076 4.877 -3.220 1.00 0.00 N ATOM 965 CA GLU A 61 -2.036 6.095 -4.012 1.00 0.00 C ATOM 966 C GLU A 61 -3.443 6.675 -4.165 1.00 0.00 C ATOM 967 O GLU A 61 -3.628 7.890 -4.099 1.00 0.00 O ATOM 968 CB GLU A 61 -1.397 5.840 -5.379 1.00 0.00 C ATOM 969 CG GLU A 61 0.080 5.466 -5.232 1.00 0.00 C ATOM 970 CD GLU A 61 0.905 6.665 -4.760 1.00 0.00 C ATOM 971 OE1 GLU A 61 0.929 6.887 -3.530 1.00 0.00 O ATOM 972 OE2 GLU A 61 1.492 7.332 -5.639 1.00 0.00 O ATOM 0 H GLU A 61 -1.618 4.073 -3.650 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.418 6.825 -3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.930 5.038 -5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.490 6.731 -6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.182 4.647 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.465 5.108 -6.187 1.00 0.00 H new ATOM 979 N ILE A 62 -4.399 5.780 -4.365 1.00 0.00 N ATOM 980 CA ILE A 62 -5.784 6.188 -4.528 1.00 0.00 C ATOM 981 C ILE A 62 -6.248 6.918 -3.265 1.00 0.00 C ATOM 982 O ILE A 62 -6.646 8.080 -3.326 1.00 0.00 O ATOM 983 CB ILE A 62 -6.656 4.988 -4.900 1.00 0.00 C ATOM 984 CG1 ILE A 62 -6.123 4.290 -6.153 1.00 0.00 C ATOM 985 CG2 ILE A 62 -8.122 5.401 -5.053 1.00 0.00 C ATOM 986 CD1 ILE A 62 -6.647 2.856 -6.247 1.00 0.00 C ATOM 0 H ILE A 62 -4.242 4.774 -4.418 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.879 6.890 -5.356 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.609 4.266 -4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.422 4.849 -7.040 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.033 4.282 -6.133 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.720 4.529 -5.318 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.483 5.817 -4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.208 6.152 -5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.253 2.383 -7.146 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.326 2.293 -5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.736 2.869 -6.291 1.00 0.00 H new ATOM 998 N LEU A 63 -6.181 6.205 -2.150 1.00 0.00 N ATOM 999 CA LEU A 63 -6.589 6.770 -0.875 1.00 0.00 C ATOM 1000 C LEU A 63 -6.098 8.216 -0.783 1.00 0.00 C ATOM 1001 O LEU A 63 -6.901 9.148 -0.765 1.00 0.00 O ATOM 1002 CB LEU A 63 -6.115 5.885 0.279 1.00 0.00 C ATOM 1003 CG LEU A 63 -6.889 4.581 0.487 1.00 0.00 C ATOM 1004 CD1 LEU A 63 -6.101 3.610 1.369 1.00 0.00 C ATOM 1005 CD2 LEU A 63 -8.287 4.857 1.044 1.00 0.00 C ATOM 0 H LEU A 63 -5.850 5.241 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.676 6.797 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.066 5.639 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.166 6.465 1.200 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.018 4.101 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.673 2.692 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.148 3.378 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.920 4.067 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.816 3.914 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.202 5.370 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.840 5.484 0.345 1.00 0.00 H new ATOM 1017 N THR A 64 -4.782 8.358 -0.726 1.00 0.00 N ATOM 1018 CA THR A 64 -4.175 9.676 -0.636 1.00 0.00 C ATOM 1019 C THR A 64 -4.940 10.676 -1.505 1.00 0.00 C ATOM 1020 O THR A 64 -5.466 10.316 -2.557 1.00 0.00 O ATOM 1021 CB THR A 64 -2.700 9.543 -1.018 1.00 0.00 C ATOM 1022 OG1 THR A 64 -2.082 9.024 0.157 1.00 0.00 O ATOM 1023 CG2 THR A 64 -2.024 10.900 -1.225 1.00 0.00 C ATOM 0 H THR A 64 -4.119 7.583 -0.740 1.00 0.00 H new ATOM 0 HA THR A 64 -4.229 10.068 0.380 1.00 0.00 H new ATOM 0 HB THR A 64 -2.614 8.951 -1.929 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.123 8.905 -0.003 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.979 10.748 -1.494 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.530 11.440 -2.025 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.081 11.479 -0.303 1.00 0.00 H new ATOM 1031 N PRO A 65 -4.980 11.946 -1.020 1.00 0.00 N ATOM 1032 CA PRO A 65 -5.672 13.001 -1.740 1.00 0.00 C ATOM 1033 C PRO A 65 -4.864 13.454 -2.958 1.00 0.00 C ATOM 1034 O PRO A 65 -5.393 13.529 -4.065 1.00 0.00 O ATOM 1035 CB PRO A 65 -5.876 14.107 -0.717 1.00 0.00 C ATOM 1036 CG PRO A 65 -4.888 13.827 0.403 1.00 0.00 C ATOM 1037 CD PRO A 65 -4.369 12.409 0.223 1.00 0.00 C ATOM 0 HA PRO A 65 -6.628 12.674 -2.149 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.697 15.087 -1.160 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -6.900 14.109 -0.343 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.065 14.541 0.374 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.371 13.936 1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.281 12.390 0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.651 11.774 1.063 1.00 0.00 H new ATOM 1045 N GLU A 66 -3.595 13.745 -2.711 1.00 0.00 N ATOM 1046 CA GLU A 66 -2.709 14.189 -3.774 1.00 0.00 C ATOM 1047 C GLU A 66 -2.994 13.413 -5.061 1.00 0.00 C ATOM 1048 O GLU A 66 -2.862 12.191 -5.096 1.00 0.00 O ATOM 1049 CB GLU A 66 -1.243 14.046 -3.361 1.00 0.00 C ATOM 1050 CG GLU A 66 -0.482 15.356 -3.576 1.00 0.00 C ATOM 1051 CD GLU A 66 1.027 15.143 -3.436 1.00 0.00 C ATOM 1052 OE1 GLU A 66 1.407 14.338 -2.559 1.00 0.00 O ATOM 1053 OE2 GLU A 66 1.765 15.791 -4.210 1.00 0.00 O ATOM 0 H GLU A 66 -3.159 13.682 -1.791 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.898 15.246 -3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.184 13.755 -2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.774 13.250 -3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.707 15.753 -4.566 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.817 16.098 -2.852 1.00 0.00 H new ATOM 1060 N VAL A 67 -3.379 14.156 -6.089 1.00 0.00 N ATOM 1061 CA VAL A 67 -3.684 13.553 -7.375 1.00 0.00 C ATOM 1062 C VAL A 67 -2.383 13.109 -8.047 1.00 0.00 C ATOM 1063 O VAL A 67 -1.833 13.827 -8.880 1.00 0.00 O ATOM 1064 CB VAL A 67 -4.496 14.528 -8.231 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -5.943 14.610 -7.743 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -3.844 15.912 -8.253 1.00 0.00 C ATOM 0 H VAL A 67 -3.487 15.170 -6.057 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.302 12.665 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.508 14.148 -9.253 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.499 15.309 -8.368 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.404 13.624 -7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.959 14.955 -6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.441 16.586 -8.868 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.786 16.303 -7.237 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.840 15.834 -8.669 1.00 0.00 H new ATOM 1076 N ASN A 68 -1.927 11.927 -7.658 1.00 0.00 N ATOM 1077 CA ASN A 68 -0.701 11.379 -8.212 1.00 0.00 C ATOM 1078 C ASN A 68 -0.878 11.162 -9.716 1.00 0.00 C ATOM 1079 O ASN A 68 -1.972 10.842 -10.176 1.00 0.00 O ATOM 1080 CB ASN A 68 -0.365 10.028 -7.576 1.00 0.00 C ATOM 1081 CG ASN A 68 -1.316 8.937 -8.072 1.00 0.00 C ATOM 1082 OD1 ASN A 68 -1.064 8.256 -9.053 1.00 0.00 O ATOM 1083 ND2 ASN A 68 -2.421 8.809 -7.343 1.00 0.00 N ATOM 0 H ASN A 68 -2.385 11.334 -6.966 1.00 0.00 H new ATOM 0 HA ASN A 68 0.105 12.084 -8.009 1.00 0.00 H new ATOM 0 HB2 ASN A 68 0.663 9.755 -7.815 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.430 10.107 -6.491 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.119 8.109 -7.593 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.571 9.411 -6.533 1.00 0.00 H new ATOM 1090 N LYS A 69 0.216 11.346 -10.441 1.00 0.00 N ATOM 1091 CA LYS A 69 0.196 11.175 -11.883 1.00 0.00 C ATOM 1092 C LYS A 69 0.341 9.689 -12.219 1.00 0.00 C ATOM 1093 O LYS A 69 0.515 8.862 -11.325 1.00 0.00 O ATOM 1094 CB LYS A 69 1.256 12.060 -12.543 1.00 0.00 C ATOM 1095 CG LYS A 69 0.613 13.273 -13.218 1.00 0.00 C ATOM 1096 CD LYS A 69 0.651 13.136 -14.742 1.00 0.00 C ATOM 1097 CE LYS A 69 -0.611 12.446 -15.262 1.00 0.00 C ATOM 1098 NZ LYS A 69 -1.485 13.417 -15.956 1.00 0.00 N ATOM 0 H LYS A 69 1.122 11.612 -10.056 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.760 11.503 -12.291 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.974 12.394 -11.794 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.811 11.480 -13.281 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.420 13.375 -12.884 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.136 14.181 -12.918 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.744 14.122 -15.197 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.531 12.564 -15.037 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.337 11.642 -15.945 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.151 11.990 -14.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.337 12.931 -16.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.761 14.170 -15.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.972 13.833 -16.760 1.00 0.00 H new ATOM 1112 N GLY A 70 0.262 9.396 -13.508 1.00 0.00 N ATOM 1113 CA GLY A 70 0.382 8.024 -13.973 1.00 0.00 C ATOM 1114 C GLY A 70 -0.996 7.395 -14.184 1.00 0.00 C ATOM 1115 O GLY A 70 -1.644 6.974 -13.227 1.00 0.00 O ATOM 0 H GLY A 70 0.116 10.085 -14.246 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.943 8.000 -14.907 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.946 7.438 -13.247 1.00 0.00 H new ATOM 1119 N SER A 71 -1.403 7.350 -15.444 1.00 0.00 N ATOM 1120 CA SER A 71 -2.693 6.779 -15.794 1.00 0.00 C ATOM 1121 C SER A 71 -2.640 6.194 -17.207 1.00 0.00 C ATOM 1122 O SER A 71 -1.793 6.580 -18.011 1.00 0.00 O ATOM 1123 CB SER A 71 -3.804 7.825 -15.693 1.00 0.00 C ATOM 1124 OG SER A 71 -5.061 7.239 -15.364 1.00 0.00 O ATOM 0 H SER A 71 -0.862 7.700 -16.235 1.00 0.00 H new ATOM 0 HA SER A 71 -2.918 5.981 -15.086 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.539 8.563 -14.936 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.889 8.356 -16.641 1.00 0.00 H new ATOM 0 HG SER A 71 -5.744 7.940 -15.307 1.00 0.00 H new ATOM 1130 N GLY A 72 -3.557 5.273 -17.466 1.00 0.00 N ATOM 1131 CA GLY A 72 -3.626 4.632 -18.768 1.00 0.00 C ATOM 1132 C GLY A 72 -5.024 4.769 -19.374 1.00 0.00 C ATOM 1133 O GLY A 72 -5.916 3.978 -19.072 1.00 0.00 O ATOM 0 H GLY A 72 -4.258 4.956 -16.796 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.891 5.079 -19.437 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.369 3.577 -18.672 1.00 0.00 H new ATOM 1137 N PRO A 73 -5.176 5.807 -20.240 1.00 0.00 N ATOM 1138 CA PRO A 73 -6.451 6.058 -20.891 1.00 0.00 C ATOM 1139 C PRO A 73 -6.706 5.043 -22.007 1.00 0.00 C ATOM 1140 O PRO A 73 -6.657 5.388 -23.187 1.00 0.00 O ATOM 1141 CB PRO A 73 -6.358 7.488 -21.397 1.00 0.00 C ATOM 1142 CG PRO A 73 -4.877 7.827 -21.423 1.00 0.00 C ATOM 1143 CD PRO A 73 -4.142 6.764 -20.621 1.00 0.00 C ATOM 0 HA PRO A 73 -7.299 5.943 -20.216 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.797 7.580 -22.391 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.903 8.169 -20.744 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.509 7.854 -22.449 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.704 8.815 -20.996 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.362 6.288 -21.215 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.658 7.194 -19.744 1.00 0.00 H new ATOM 1151 N SER A 74 -6.972 3.813 -21.595 1.00 0.00 N ATOM 1152 CA SER A 74 -7.234 2.746 -22.546 1.00 0.00 C ATOM 1153 C SER A 74 -8.592 2.104 -22.250 1.00 0.00 C ATOM 1154 O SER A 74 -9.006 2.024 -21.095 1.00 0.00 O ATOM 1155 CB SER A 74 -6.129 1.689 -22.508 1.00 0.00 C ATOM 1156 OG SER A 74 -6.056 1.038 -21.242 1.00 0.00 O ATOM 0 H SER A 74 -7.012 3.531 -20.616 1.00 0.00 H new ATOM 0 HA SER A 74 -7.252 3.177 -23.547 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.309 0.948 -23.287 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.171 2.158 -22.730 1.00 0.00 H new ATOM 0 HG SER A 74 -5.588 0.183 -21.340 1.00 0.00 H new ATOM 1162 N SER A 75 -9.246 1.664 -23.315 1.00 0.00 N ATOM 1163 CA SER A 75 -10.548 1.032 -23.184 1.00 0.00 C ATOM 1164 C SER A 75 -10.388 -0.488 -23.123 1.00 0.00 C ATOM 1165 O SER A 75 -10.810 -1.122 -22.157 1.00 0.00 O ATOM 1166 CB SER A 75 -11.469 1.423 -24.342 1.00 0.00 C ATOM 1167 OG SER A 75 -12.728 1.907 -23.883 1.00 0.00 O ATOM 0 H SER A 75 -8.899 1.733 -24.272 1.00 0.00 H new ATOM 0 HA SER A 75 -11.006 1.380 -22.258 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.985 2.189 -24.947 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.626 0.559 -24.988 1.00 0.00 H new ATOM 0 HG SER A 75 -13.286 2.147 -24.652 1.00 0.00 H new ATOM 1173 N GLY A 76 -9.778 -1.030 -24.167 1.00 0.00 N ATOM 1174 CA GLY A 76 -9.557 -2.464 -24.244 1.00 0.00 C ATOM 1175 C GLY A 76 -10.778 -3.176 -24.831 1.00 0.00 C ATOM 1176 O GLY A 76 -11.859 -2.596 -24.913 1.00 0.00 O ATOM 0 H GLY A 76 -9.430 -0.501 -24.967 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.681 -2.668 -24.860 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.346 -2.857 -23.250 1.00 0.00 H new TER 1180 GLY A 76