USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 753 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00349) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.636 (180deg=-0.636) USER MOD Single : A 4 THR OG1 : rot 63:sc= 1.13 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.825 X(o=-0.82,f=-0.89) USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= -1.45! (180deg=-3.73!) USER MOD Single : A 29 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-5.3!) USER MOD Single : A 37 THR OG1 : rot -22:sc= 0.49 USER MOD Single : A 43 ASN : amide:sc= -0.378 K(o=-0.38,f=-3.1!) USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0777) USER MOD Single : A 55 ASN : amide:sc= -1.51 K(o=-1.5,f=-3.2!) USER MOD Single : A 56 THR OG1 : rot 132:sc= 0.213 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc=-0.00526 K(o=-0.0053,f=-1.8!) USER MOD Single : A 62 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.78) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -161:sc= -0.419 (180deg=-0.522) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0.747 (180deg=0.747) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.974 -14.355 -14.355 1.00 0.00 N ATOM 2 CA MET A 1 1.136 -15.511 -13.927 1.00 0.00 C ATOM 3 C MET A 1 1.487 -15.887 -12.490 1.00 0.00 C ATOM 4 O MET A 1 1.194 -16.993 -12.037 1.00 0.00 O ATOM 5 CB MET A 1 1.397 -16.699 -14.855 1.00 0.00 C ATOM 6 CG MET A 1 0.918 -16.359 -16.270 1.00 0.00 C ATOM 7 SD MET A 1 1.101 -17.806 -17.346 1.00 0.00 S ATOM 8 CE MET A 1 2.853 -17.596 -17.759 1.00 0.00 C ATOM 0 H1 MET A 1 1.724 -14.087 -15.328 1.00 0.00 H new ATOM 0 H2 MET A 1 1.805 -13.549 -13.719 1.00 0.00 H new ATOM 0 H3 MET A 1 2.979 -14.621 -14.316 1.00 0.00 H new ATOM 0 HA MET A 1 0.081 -15.240 -13.979 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.461 -16.937 -14.867 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.877 -17.583 -14.486 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.125 -16.043 -16.244 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.494 -15.524 -16.668 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.160 -18.379 -18.453 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.003 -16.621 -18.222 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.451 -17.662 -16.850 1.00 0.00 H new ATOM 20 N GLU A 2 2.118 -14.956 -11.777 1.00 0.00 N ATOM 21 CA GLU A 2 2.508 -15.193 -10.388 1.00 0.00 C ATOM 22 C GLU A 2 2.925 -13.875 -9.726 1.00 0.00 C ATOM 23 O GLU A 2 4.030 -13.766 -9.194 1.00 0.00 O ATOM 24 CB GLU A 2 3.676 -16.199 -10.339 1.00 0.00 C ATOM 25 CG GLU A 2 3.841 -16.764 -8.917 1.00 0.00 C ATOM 26 CD GLU A 2 2.693 -17.716 -8.586 1.00 0.00 C ATOM 27 OE1 GLU A 2 2.401 -18.567 -9.410 1.00 0.00 O ATOM 28 OE2 GLU A 2 2.124 -17.578 -7.516 1.00 0.00 O ATOM 0 H GLU A 2 2.369 -14.035 -12.136 1.00 0.00 H new ATOM 0 HA GLU A 2 1.657 -15.605 -9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.493 -17.013 -11.041 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.599 -15.710 -10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.793 -17.289 -8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.865 -15.948 -8.195 1.00 0.00 H new ATOM 35 N PRO A 3 2.075 -12.875 -9.755 1.00 0.00 N ATOM 36 CA PRO A 3 2.387 -11.544 -9.145 1.00 0.00 C ATOM 37 C PRO A 3 2.468 -11.625 -7.622 1.00 0.00 C ATOM 38 O PRO A 3 3.024 -10.740 -6.972 1.00 0.00 O ATOM 39 CB PRO A 3 1.212 -10.658 -9.603 1.00 0.00 C ATOM 40 CG PRO A 3 0.082 -11.621 -9.779 1.00 0.00 C ATOM 41 CD PRO A 3 0.725 -12.887 -10.358 1.00 0.00 C ATOM 0 HA PRO A 3 3.357 -11.156 -9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.975 -9.895 -8.862 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.442 -10.138 -10.533 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -0.411 -11.828 -8.829 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -0.676 -11.221 -10.452 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.169 -13.784 -10.086 1.00 0.00 H new ATOM 0 HD3 PRO A 3 0.768 -12.857 -11.447 1.00 0.00 H new ATOM 49 N THR A 4 1.901 -12.689 -7.061 1.00 0.00 N ATOM 50 CA THR A 4 1.907 -12.869 -5.613 1.00 0.00 C ATOM 51 C THR A 4 3.270 -13.355 -5.152 1.00 0.00 C ATOM 52 O THR A 4 3.444 -14.526 -4.817 1.00 0.00 O ATOM 53 CB THR A 4 0.836 -13.891 -5.211 1.00 0.00 C ATOM 54 OG1 THR A 4 1.248 -15.190 -5.614 1.00 0.00 O ATOM 55 CG2 THR A 4 -0.491 -13.543 -5.890 1.00 0.00 C ATOM 0 H THR A 4 1.436 -13.433 -7.581 1.00 0.00 H new ATOM 0 HA THR A 4 1.690 -11.911 -5.139 1.00 0.00 H new ATOM 0 HB THR A 4 0.703 -13.869 -4.129 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.072 -15.433 -5.143 1.00 0.00 H new ATOM 0 HG21 THR A 4 -1.249 -14.271 -5.602 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.808 -12.547 -5.580 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.362 -13.562 -6.972 1.00 0.00 H new ATOM 63 N ALA A 5 4.240 -12.443 -5.140 1.00 0.00 N ATOM 64 CA ALA A 5 5.590 -12.790 -4.719 1.00 0.00 C ATOM 65 C ALA A 5 6.423 -11.538 -4.455 1.00 0.00 C ATOM 66 O ALA A 5 7.431 -11.301 -5.121 1.00 0.00 O ATOM 67 CB ALA A 5 6.262 -13.641 -5.799 1.00 0.00 C ATOM 0 H ALA A 5 4.116 -11.468 -5.414 1.00 0.00 H new ATOM 0 HA ALA A 5 5.525 -13.357 -3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.272 -13.900 -5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.686 -14.553 -5.954 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.307 -13.077 -6.731 1.00 0.00 H new ATOM 73 N PHE A 6 6.000 -10.742 -3.472 1.00 0.00 N ATOM 74 CA PHE A 6 6.717 -9.515 -3.111 1.00 0.00 C ATOM 75 C PHE A 6 7.769 -9.817 -2.044 1.00 0.00 C ATOM 76 O PHE A 6 7.440 -10.241 -0.937 1.00 0.00 O ATOM 77 CB PHE A 6 5.716 -8.466 -2.585 1.00 0.00 C ATOM 78 CG PHE A 6 4.951 -7.858 -3.750 1.00 0.00 C ATOM 79 CD1 PHE A 6 3.874 -8.550 -4.318 1.00 0.00 C ATOM 80 CD2 PHE A 6 5.329 -6.610 -4.267 1.00 0.00 C ATOM 81 CE1 PHE A 6 3.179 -7.996 -5.400 1.00 0.00 C ATOM 82 CE2 PHE A 6 4.633 -6.057 -5.347 1.00 0.00 C ATOM 83 CZ PHE A 6 3.558 -6.750 -5.914 1.00 0.00 C ATOM 0 H PHE A 6 5.167 -10.923 -2.912 1.00 0.00 H new ATOM 0 HA PHE A 6 7.218 -9.120 -3.995 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.022 -8.931 -1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 6 6.246 -7.686 -2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.580 -9.511 -3.922 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.159 -6.075 -3.830 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.349 -8.531 -5.839 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.925 -5.096 -5.743 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.020 -6.324 -6.748 1.00 0.00 H new ATOM 93 N SER A 7 9.037 -9.592 -2.393 1.00 0.00 N ATOM 94 CA SER A 7 10.152 -9.829 -1.472 1.00 0.00 C ATOM 95 C SER A 7 10.514 -8.541 -0.738 1.00 0.00 C ATOM 96 O SER A 7 9.898 -7.498 -0.958 1.00 0.00 O ATOM 97 CB SER A 7 11.368 -10.323 -2.252 1.00 0.00 C ATOM 98 OG SER A 7 11.029 -11.516 -2.947 1.00 0.00 O ATOM 0 H SER A 7 9.319 -9.245 -3.310 1.00 0.00 H new ATOM 0 HA SER A 7 9.851 -10.583 -0.745 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.697 -9.559 -2.957 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.199 -10.509 -1.572 1.00 0.00 H new ATOM 0 HG SER A 7 11.808 -11.834 -3.450 1.00 0.00 H new ATOM 104 N GLY A 8 11.516 -8.616 0.131 1.00 0.00 N ATOM 105 CA GLY A 8 11.948 -7.444 0.884 1.00 0.00 C ATOM 106 C GLY A 8 12.522 -6.378 -0.048 1.00 0.00 C ATOM 107 O GLY A 8 12.284 -5.185 0.138 1.00 0.00 O ATOM 0 H GLY A 8 12.040 -9.468 0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.105 -7.032 1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.700 -7.735 1.617 1.00 0.00 H new ATOM 111 N SER A 9 13.285 -6.820 -1.047 1.00 0.00 N ATOM 112 CA SER A 9 13.898 -5.900 -2.004 1.00 0.00 C ATOM 113 C SER A 9 12.849 -5.324 -2.955 1.00 0.00 C ATOM 114 O SER A 9 13.092 -4.318 -3.622 1.00 0.00 O ATOM 115 CB SER A 9 14.979 -6.633 -2.806 1.00 0.00 C ATOM 116 OG SER A 9 16.065 -6.947 -1.944 1.00 0.00 O ATOM 0 H SER A 9 13.493 -7.805 -1.214 1.00 0.00 H new ATOM 0 HA SER A 9 14.349 -5.076 -1.451 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.570 -7.544 -3.243 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.322 -6.010 -3.632 1.00 0.00 H new ATOM 0 HG SER A 9 16.759 -7.418 -2.451 1.00 0.00 H new ATOM 122 N ASP A 10 11.683 -5.962 -3.011 1.00 0.00 N ATOM 123 CA ASP A 10 10.608 -5.493 -3.883 1.00 0.00 C ATOM 124 C ASP A 10 10.009 -4.209 -3.318 1.00 0.00 C ATOM 125 O ASP A 10 9.422 -4.214 -2.237 1.00 0.00 O ATOM 126 CB ASP A 10 9.518 -6.566 -3.998 1.00 0.00 C ATOM 127 CG ASP A 10 8.505 -6.168 -5.068 1.00 0.00 C ATOM 128 OD1 ASP A 10 8.432 -4.990 -5.377 1.00 0.00 O ATOM 129 OD2 ASP A 10 7.818 -7.047 -5.561 1.00 0.00 O ATOM 0 H ASP A 10 11.459 -6.797 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 10 11.017 -5.295 -4.874 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.967 -7.527 -4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.016 -6.691 -3.039 1.00 0.00 H new ATOM 134 N VAL A 11 10.175 -3.105 -4.047 1.00 0.00 N ATOM 135 CA VAL A 11 9.666 -1.799 -3.607 1.00 0.00 C ATOM 136 C VAL A 11 8.269 -1.516 -4.212 1.00 0.00 C ATOM 137 O VAL A 11 8.109 -1.592 -5.428 1.00 0.00 O ATOM 138 CB VAL A 11 10.650 -0.700 -4.048 1.00 0.00 C ATOM 139 CG1 VAL A 11 12.008 -0.950 -3.383 1.00 0.00 C ATOM 140 CG2 VAL A 11 10.823 -0.709 -5.582 1.00 0.00 C ATOM 0 H VAL A 11 10.658 -3.086 -4.945 1.00 0.00 H new ATOM 0 HA VAL A 11 9.573 -1.807 -2.521 1.00 0.00 H new ATOM 0 HB VAL A 11 10.255 0.271 -3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.711 -0.176 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.892 -0.926 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 11 12.387 -1.926 -3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.522 0.075 -5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.210 -1.677 -5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.859 -0.531 -6.058 1.00 0.00 H new ATOM 150 N PRO A 12 7.252 -1.199 -3.421 1.00 0.00 N ATOM 151 CA PRO A 12 5.895 -0.912 -3.979 1.00 0.00 C ATOM 152 C PRO A 12 5.813 0.503 -4.558 1.00 0.00 C ATOM 153 O PRO A 12 6.516 1.409 -4.109 1.00 0.00 O ATOM 154 CB PRO A 12 4.974 -1.083 -2.760 1.00 0.00 C ATOM 155 CG PRO A 12 5.814 -0.628 -1.607 1.00 0.00 C ATOM 156 CD PRO A 12 7.257 -1.068 -1.943 1.00 0.00 C ATOM 0 HA PRO A 12 5.626 -1.566 -4.809 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.069 -0.483 -2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.658 -2.119 -2.640 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.753 0.453 -1.481 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.475 -1.077 -0.674 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.988 -0.331 -1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.511 -2.011 -1.459 1.00 0.00 H new ATOM 164 N ARG A 13 4.940 0.684 -5.551 1.00 0.00 N ATOM 165 CA ARG A 13 4.750 1.994 -6.182 1.00 0.00 C ATOM 166 C ARG A 13 3.373 2.054 -6.836 1.00 0.00 C ATOM 167 O ARG A 13 2.987 1.148 -7.575 1.00 0.00 O ATOM 168 CB ARG A 13 5.842 2.247 -7.230 1.00 0.00 C ATOM 169 CG ARG A 13 5.699 3.662 -7.804 1.00 0.00 C ATOM 170 CD ARG A 13 6.846 3.945 -8.775 1.00 0.00 C ATOM 171 NE ARG A 13 6.797 5.341 -9.209 1.00 0.00 N ATOM 172 CZ ARG A 13 7.244 6.325 -8.432 1.00 0.00 C ATOM 173 NH1 ARG A 13 7.180 7.562 -8.844 1.00 0.00 N ATOM 174 NH2 ARG A 13 7.742 6.052 -7.257 1.00 0.00 N ATOM 0 H ARG A 13 4.354 -0.057 -5.936 1.00 0.00 H new ATOM 0 HA ARG A 13 4.819 2.768 -5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.827 2.127 -6.778 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.767 1.511 -8.031 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.743 3.761 -8.318 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.705 4.394 -6.997 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.802 3.738 -8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.775 3.284 -9.639 1.00 0.00 H new ATOM 0 HE ARG A 13 6.412 5.565 -10.127 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.787 7.774 -9.761 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.522 8.316 -8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.788 5.085 -6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.085 6.805 -6.661 1.00 0.00 H new ATOM 188 N LEU A 14 2.630 3.120 -6.551 1.00 0.00 N ATOM 189 CA LEU A 14 1.289 3.289 -7.110 1.00 0.00 C ATOM 190 C LEU A 14 1.363 3.591 -8.624 1.00 0.00 C ATOM 191 O LEU A 14 2.092 4.500 -9.021 1.00 0.00 O ATOM 192 CB LEU A 14 0.586 4.446 -6.394 1.00 0.00 C ATOM 193 CG LEU A 14 0.549 4.184 -4.874 1.00 0.00 C ATOM 194 CD1 LEU A 14 -0.010 5.422 -4.167 1.00 0.00 C ATOM 195 CD2 LEU A 14 -0.339 2.956 -4.548 1.00 0.00 C ATOM 0 H LEU A 14 2.931 3.878 -5.939 1.00 0.00 H new ATOM 0 HA LEU A 14 0.729 2.365 -6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.108 5.381 -6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.429 4.558 -6.776 1.00 0.00 H new ATOM 0 HG LEU A 14 1.562 3.978 -4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.039 5.245 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.629 6.280 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.018 5.624 -4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.350 2.791 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.355 3.139 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.063 2.074 -5.046 1.00 0.00 H new ATOM 207 N PRO A 15 0.641 2.876 -9.481 1.00 0.00 N ATOM 208 CA PRO A 15 0.685 3.143 -10.952 1.00 0.00 C ATOM 209 C PRO A 15 -0.069 4.422 -11.324 1.00 0.00 C ATOM 210 O PRO A 15 -0.960 4.865 -10.603 1.00 0.00 O ATOM 211 CB PRO A 15 0.051 1.880 -11.573 1.00 0.00 C ATOM 212 CG PRO A 15 -0.898 1.373 -10.527 1.00 0.00 C ATOM 213 CD PRO A 15 -0.281 1.762 -9.164 1.00 0.00 C ATOM 0 HA PRO A 15 1.696 3.318 -11.319 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.471 2.115 -12.500 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.809 1.135 -11.814 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.886 1.817 -10.649 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.023 0.293 -10.604 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.048 2.071 -8.454 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.250 0.923 -8.714 1.00 0.00 H new ATOM 221 N ARG A 16 0.307 5.006 -12.455 1.00 0.00 N ATOM 222 CA ARG A 16 -0.328 6.233 -12.924 1.00 0.00 C ATOM 223 C ARG A 16 -1.841 6.061 -13.013 1.00 0.00 C ATOM 224 O ARG A 16 -2.338 4.955 -13.226 1.00 0.00 O ATOM 225 CB ARG A 16 0.242 6.611 -14.294 1.00 0.00 C ATOM 226 CG ARG A 16 -0.067 5.502 -15.307 1.00 0.00 C ATOM 227 CD ARG A 16 0.637 5.805 -16.632 1.00 0.00 C ATOM 228 NE ARG A 16 0.340 4.757 -17.607 1.00 0.00 N ATOM 229 CZ ARG A 16 1.066 4.612 -18.712 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.774 3.670 -19.567 1.00 0.00 N ATOM 231 NH2 ARG A 16 2.073 5.410 -18.940 1.00 0.00 N ATOM 0 H ARG A 16 1.046 4.652 -13.063 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.120 7.031 -12.211 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.189 7.554 -14.630 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.319 6.761 -14.222 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.265 4.539 -14.919 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.143 5.429 -15.464 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.310 6.772 -17.014 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.713 5.872 -16.474 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.441 4.123 -17.436 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.011 3.044 -19.388 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.331 3.560 -20.414 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.303 6.145 -18.271 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.630 5.299 -19.787 1.00 0.00 H new ATOM 245 N GLY A 17 -2.572 7.162 -12.850 1.00 0.00 N ATOM 246 CA GLY A 17 -4.031 7.124 -12.915 1.00 0.00 C ATOM 247 C GLY A 17 -4.622 6.638 -11.596 1.00 0.00 C ATOM 248 O GLY A 17 -5.780 6.221 -11.543 1.00 0.00 O ATOM 0 H GLY A 17 -2.180 8.087 -12.673 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.415 8.118 -13.146 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.346 6.465 -13.724 1.00 0.00 H new ATOM 252 N VAL A 18 -3.820 6.694 -10.528 1.00 0.00 N ATOM 253 CA VAL A 18 -4.264 6.258 -9.196 1.00 0.00 C ATOM 254 C VAL A 18 -3.845 7.272 -8.141 1.00 0.00 C ATOM 255 O VAL A 18 -2.704 7.733 -8.126 1.00 0.00 O ATOM 256 CB VAL A 18 -3.660 4.890 -8.864 1.00 0.00 C ATOM 257 CG1 VAL A 18 -4.153 4.419 -7.488 1.00 0.00 C ATOM 258 CG2 VAL A 18 -4.081 3.879 -9.937 1.00 0.00 C ATOM 0 H VAL A 18 -2.860 7.037 -10.558 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.351 6.180 -9.200 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.573 4.970 -8.841 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.719 3.446 -7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.851 5.139 -6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.240 4.338 -7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.654 2.903 -9.705 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.168 3.803 -9.959 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.721 4.211 -10.911 1.00 0.00 H new ATOM 268 N ARG A 19 -4.783 7.618 -7.258 1.00 0.00 N ATOM 269 CA ARG A 19 -4.525 8.584 -6.186 1.00 0.00 C ATOM 270 C ARG A 19 -5.124 8.091 -4.877 1.00 0.00 C ATOM 271 O ARG A 19 -6.062 7.293 -4.872 1.00 0.00 O ATOM 272 CB ARG A 19 -5.136 9.933 -6.551 1.00 0.00 C ATOM 273 CG ARG A 19 -4.463 10.455 -7.819 1.00 0.00 C ATOM 274 CD ARG A 19 -5.031 11.825 -8.174 1.00 0.00 C ATOM 275 NE ARG A 19 -6.447 11.712 -8.510 1.00 0.00 N ATOM 276 CZ ARG A 19 -6.844 11.170 -9.658 1.00 0.00 C ATOM 277 NH1 ARG A 19 -8.117 11.081 -9.931 1.00 0.00 N ATOM 278 NH2 ARG A 19 -5.961 10.725 -10.510 1.00 0.00 N ATOM 0 H ARG A 19 -5.732 7.243 -7.263 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.447 8.693 -6.063 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.210 9.830 -6.709 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.001 10.641 -5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.386 10.525 -7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.625 9.759 -8.642 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.902 12.509 -7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.482 12.247 -9.016 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.146 12.056 -7.851 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.807 11.427 -9.264 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.422 10.665 -10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.966 10.793 -10.296 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.266 10.309 -11.390 1.00 0.00 H new ATOM 292 N LEU A 20 -4.570 8.569 -3.765 1.00 0.00 N ATOM 293 CA LEU A 20 -5.048 8.173 -2.437 1.00 0.00 C ATOM 294 C LEU A 20 -6.105 9.157 -1.949 1.00 0.00 C ATOM 295 O LEU A 20 -6.021 10.355 -2.218 1.00 0.00 O ATOM 296 CB LEU A 20 -3.873 8.156 -1.452 1.00 0.00 C ATOM 297 CG LEU A 20 -2.707 7.342 -2.033 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.571 7.306 -1.009 1.00 0.00 C ATOM 299 CD2 LEU A 20 -3.159 5.905 -2.364 1.00 0.00 C ATOM 0 H LEU A 20 -3.792 9.229 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.487 7.177 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.547 9.175 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.191 7.724 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.365 7.813 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.737 6.730 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.241 8.323 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.925 6.839 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.319 5.345 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.512 5.416 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.966 5.937 -3.096 1.00 0.00 H new ATOM 311 N ARG A 21 -7.105 8.645 -1.228 1.00 0.00 N ATOM 312 CA ARG A 21 -8.187 9.487 -0.702 1.00 0.00 C ATOM 313 C ARG A 21 -8.562 9.039 0.706 1.00 0.00 C ATOM 314 O ARG A 21 -8.596 7.843 0.998 1.00 0.00 O ATOM 315 CB ARG A 21 -9.417 9.387 -1.610 1.00 0.00 C ATOM 316 CG ARG A 21 -9.098 9.998 -2.975 1.00 0.00 C ATOM 317 CD ARG A 21 -10.345 9.950 -3.858 1.00 0.00 C ATOM 318 NE ARG A 21 -10.057 10.528 -5.169 1.00 0.00 N ATOM 319 CZ ARG A 21 -11.034 10.871 -6.006 1.00 0.00 C ATOM 320 NH1 ARG A 21 -10.743 11.383 -7.171 1.00 0.00 N ATOM 321 NH2 ARG A 21 -12.280 10.693 -5.664 1.00 0.00 N ATOM 0 H ARG A 21 -7.190 7.656 -0.995 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.841 10.520 -0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.711 8.344 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.260 9.907 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.764 11.028 -2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.283 9.451 -3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.679 8.919 -3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.158 10.498 -3.382 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.087 10.672 -5.449 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.768 11.520 -7.439 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.490 11.646 -7.813 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.507 10.291 -4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.028 10.956 -6.306 1.00 0.00 H new ATOM 335 N PHE A 22 -8.846 10.012 1.579 1.00 0.00 N ATOM 336 CA PHE A 22 -9.223 9.728 2.970 1.00 0.00 C ATOM 337 C PHE A 22 -10.713 9.974 3.187 1.00 0.00 C ATOM 338 O PHE A 22 -11.211 11.078 2.969 1.00 0.00 O ATOM 339 CB PHE A 22 -8.402 10.610 3.912 1.00 0.00 C ATOM 340 CG PHE A 22 -8.713 12.067 3.645 1.00 0.00 C ATOM 341 CD1 PHE A 22 -9.679 12.734 4.410 1.00 0.00 C ATOM 342 CD2 PHE A 22 -8.033 12.748 2.629 1.00 0.00 C ATOM 343 CE1 PHE A 22 -9.964 14.080 4.159 1.00 0.00 C ATOM 344 CE2 PHE A 22 -8.318 14.096 2.377 1.00 0.00 C ATOM 345 CZ PHE A 22 -9.284 14.762 3.143 1.00 0.00 C ATOM 0 H PHE A 22 -8.822 11.005 1.347 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.017 8.679 3.183 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.631 10.363 4.949 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.338 10.422 3.767 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -10.204 12.208 5.194 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.288 12.234 2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.709 14.593 4.749 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.794 14.622 1.593 1.00 0.00 H new ATOM 0 HZ PHE A 22 -9.504 15.802 2.950 1.00 0.00 H new ATOM 355 N ASP A 23 -11.422 8.930 3.618 1.00 0.00 N ATOM 356 CA ASP A 23 -12.861 9.029 3.866 1.00 0.00 C ATOM 357 C ASP A 23 -13.115 9.443 5.312 1.00 0.00 C ATOM 358 O ASP A 23 -13.000 8.632 6.229 1.00 0.00 O ATOM 359 CB ASP A 23 -13.517 7.671 3.599 1.00 0.00 C ATOM 360 CG ASP A 23 -13.433 7.332 2.112 1.00 0.00 C ATOM 361 OD1 ASP A 23 -13.169 8.233 1.331 1.00 0.00 O ATOM 362 OD2 ASP A 23 -13.631 6.176 1.776 1.00 0.00 O ATOM 0 H ASP A 23 -11.025 8.009 3.802 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.288 9.780 3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.021 6.897 4.185 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.559 7.693 3.917 1.00 0.00 H new ATOM 367 N GLU A 24 -13.463 10.710 5.504 1.00 0.00 N ATOM 368 CA GLU A 24 -13.733 11.223 6.842 1.00 0.00 C ATOM 369 C GLU A 24 -14.958 10.539 7.440 1.00 0.00 C ATOM 370 O GLU A 24 -15.002 10.257 8.638 1.00 0.00 O ATOM 371 CB GLU A 24 -13.960 12.736 6.782 1.00 0.00 C ATOM 372 CG GLU A 24 -14.105 13.299 8.200 1.00 0.00 C ATOM 373 CD GLU A 24 -14.214 14.821 8.149 1.00 0.00 C ATOM 374 OE1 GLU A 24 -13.892 15.386 7.116 1.00 0.00 O ATOM 375 OE2 GLU A 24 -14.617 15.399 9.145 1.00 0.00 O ATOM 0 H GLU A 24 -13.564 11.397 4.757 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.872 11.012 7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.125 13.218 6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.856 12.955 6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.990 12.879 8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.247 13.008 8.805 1.00 0.00 H new ATOM 382 N VAL A 25 -15.955 10.284 6.600 1.00 0.00 N ATOM 383 CA VAL A 25 -17.181 9.643 7.062 1.00 0.00 C ATOM 384 C VAL A 25 -16.890 8.231 7.583 1.00 0.00 C ATOM 385 O VAL A 25 -17.398 7.835 8.633 1.00 0.00 O ATOM 386 CB VAL A 25 -18.220 9.599 5.912 1.00 0.00 C ATOM 387 CG1 VAL A 25 -18.875 10.979 5.741 1.00 0.00 C ATOM 388 CG2 VAL A 25 -17.528 9.211 4.592 1.00 0.00 C ATOM 0 H VAL A 25 -15.940 10.509 5.605 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.593 10.227 7.885 1.00 0.00 H new ATOM 0 HB VAL A 25 -18.981 8.859 6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -19.603 10.938 4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -19.377 11.261 6.667 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.110 11.718 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -18.265 9.182 3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.760 9.947 4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.068 8.228 4.697 1.00 0.00 H new ATOM 398 N ARG A 26 -16.071 7.477 6.850 1.00 0.00 N ATOM 399 CA ARG A 26 -15.715 6.110 7.245 1.00 0.00 C ATOM 400 C ARG A 26 -14.426 6.097 8.072 1.00 0.00 C ATOM 401 O ARG A 26 -14.047 5.066 8.629 1.00 0.00 O ATOM 402 CB ARG A 26 -15.544 5.253 5.985 1.00 0.00 C ATOM 403 CG ARG A 26 -16.902 5.044 5.313 1.00 0.00 C ATOM 404 CD ARG A 26 -16.714 4.222 4.039 1.00 0.00 C ATOM 405 NE ARG A 26 -18.002 3.993 3.394 1.00 0.00 N ATOM 406 CZ ARG A 26 -18.139 3.091 2.426 1.00 0.00 C ATOM 407 NH1 ARG A 26 -19.304 2.903 1.872 1.00 0.00 N ATOM 408 NH2 ARG A 26 -17.107 2.396 2.031 1.00 0.00 N ATOM 0 H ARG A 26 -15.640 7.788 5.979 1.00 0.00 H new ATOM 0 HA ARG A 26 -16.513 5.700 7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.857 5.740 5.293 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.105 4.290 6.246 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.582 4.531 5.993 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.355 6.007 5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.044 4.744 3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.244 3.268 4.279 1.00 0.00 H new ATOM 0 HE ARG A 26 -18.813 4.535 3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -20.109 3.447 2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.410 2.212 1.130 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.196 2.545 2.465 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -17.212 1.704 1.289 1.00 0.00 H new ATOM 422 N ASN A 27 -13.763 7.247 8.155 1.00 0.00 N ATOM 423 CA ASN A 27 -12.524 7.362 8.925 1.00 0.00 C ATOM 424 C ASN A 27 -11.488 6.330 8.480 1.00 0.00 C ATOM 425 O ASN A 27 -10.750 5.786 9.301 1.00 0.00 O ATOM 426 CB ASN A 27 -12.818 7.172 10.415 1.00 0.00 C ATOM 427 CG ASN A 27 -11.565 7.455 11.239 1.00 0.00 C ATOM 428 OD1 ASN A 27 -11.065 6.571 11.934 1.00 0.00 O ATOM 429 ND2 ASN A 27 -11.023 8.642 11.201 1.00 0.00 N ATOM 0 H ASN A 27 -14.060 8.111 7.701 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.115 8.357 8.748 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.623 7.840 10.722 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.161 6.154 10.599 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.184 8.837 11.748 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.438 9.374 10.625 1.00 0.00 H new ATOM 436 N LYS A 28 -11.429 6.068 7.174 1.00 0.00 N ATOM 437 CA LYS A 28 -10.469 5.104 6.621 1.00 0.00 C ATOM 438 C LYS A 28 -9.993 5.569 5.251 1.00 0.00 C ATOM 439 O LYS A 28 -10.662 6.363 4.588 1.00 0.00 O ATOM 440 CB LYS A 28 -11.122 3.717 6.510 1.00 0.00 C ATOM 441 CG LYS A 28 -12.256 3.753 5.469 1.00 0.00 C ATOM 442 CD LYS A 28 -13.146 2.508 5.594 1.00 0.00 C ATOM 443 CE LYS A 28 -12.323 1.232 5.370 1.00 0.00 C ATOM 444 NZ LYS A 28 -11.430 1.406 4.190 1.00 0.00 N ATOM 0 H LYS A 28 -12.032 6.507 6.478 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.610 5.037 7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.376 2.976 6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.516 3.412 7.480 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.857 4.651 5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.834 3.805 4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.607 2.481 6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.955 2.558 4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.729 1.011 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.988 0.383 5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.274 0.484 3.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.874 2.057 3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.518 1.798 4.500 1.00 0.00 H new ATOM 458 N HIS A 29 -8.834 5.067 4.830 1.00 0.00 N ATOM 459 CA HIS A 29 -8.268 5.430 3.529 1.00 0.00 C ATOM 460 C HIS A 29 -8.707 4.433 2.473 1.00 0.00 C ATOM 461 O HIS A 29 -8.916 3.257 2.763 1.00 0.00 O ATOM 462 CB HIS A 29 -6.743 5.444 3.610 1.00 0.00 C ATOM 463 CG HIS A 29 -6.301 6.522 4.560 1.00 0.00 C ATOM 464 ND1 HIS A 29 -6.411 6.386 5.934 1.00 0.00 N ATOM 465 CD2 HIS A 29 -5.754 7.762 4.348 1.00 0.00 C ATOM 466 CE1 HIS A 29 -5.941 7.516 6.492 1.00 0.00 C ATOM 467 NE2 HIS A 29 -5.527 8.389 5.569 1.00 0.00 N ATOM 0 H HIS A 29 -8.269 4.410 5.367 1.00 0.00 H new ATOM 0 HA HIS A 29 -8.626 6.423 3.257 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.377 4.474 3.948 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.317 5.618 2.622 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.533 8.187 3.380 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.903 7.696 7.556 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.130 9.315 5.726 1.00 0.00 H new ATOM 475 N VAL A 30 -8.847 4.911 1.239 1.00 0.00 N ATOM 476 CA VAL A 30 -9.265 4.058 0.124 1.00 0.00 C ATOM 477 C VAL A 30 -8.418 4.362 -1.104 1.00 0.00 C ATOM 478 O VAL A 30 -7.902 5.471 -1.250 1.00 0.00 O ATOM 479 CB VAL A 30 -10.743 4.315 -0.194 1.00 0.00 C ATOM 480 CG1 VAL A 30 -11.599 3.973 1.030 1.00 0.00 C ATOM 481 CG2 VAL A 30 -10.946 5.793 -0.560 1.00 0.00 C ATOM 0 H VAL A 30 -8.678 5.884 0.984 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.131 3.013 0.402 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.042 3.689 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.649 4.156 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.462 2.923 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.296 4.596 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.998 5.971 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.643 6.420 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.341 6.038 -1.433 1.00 0.00 H new ATOM 491 N LEU A 31 -8.279 3.373 -1.990 1.00 0.00 N ATOM 492 CA LEU A 31 -7.492 3.537 -3.219 1.00 0.00 C ATOM 493 C LEU A 31 -8.420 3.748 -4.405 1.00 0.00 C ATOM 494 O LEU A 31 -9.290 2.920 -4.677 1.00 0.00 O ATOM 495 CB LEU A 31 -6.639 2.278 -3.464 1.00 0.00 C ATOM 496 CG LEU A 31 -5.680 2.476 -4.661 1.00 0.00 C ATOM 497 CD1 LEU A 31 -4.656 3.605 -4.379 1.00 0.00 C ATOM 498 CD2 LEU A 31 -4.941 1.155 -4.920 1.00 0.00 C ATOM 0 H LEU A 31 -8.700 2.450 -1.881 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.842 4.405 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.063 2.046 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.291 1.425 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.261 2.765 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.996 3.720 -5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.186 4.541 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.065 3.349 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.260 1.278 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.374 0.875 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.664 0.372 -5.150 1.00 0.00 H new ATOM 510 N LEU A 32 -8.225 4.849 -5.122 1.00 0.00 N ATOM 511 CA LEU A 32 -9.046 5.138 -6.293 1.00 0.00 C ATOM 512 C LEU A 32 -8.566 4.285 -7.459 1.00 0.00 C ATOM 513 O LEU A 32 -7.558 4.599 -8.088 1.00 0.00 O ATOM 514 CB LEU A 32 -8.919 6.624 -6.654 1.00 0.00 C ATOM 515 CG LEU A 32 -9.855 6.993 -7.828 1.00 0.00 C ATOM 516 CD1 LEU A 32 -11.343 6.845 -7.425 1.00 0.00 C ATOM 517 CD2 LEU A 32 -9.567 8.442 -8.246 1.00 0.00 C ATOM 0 H LEU A 32 -7.513 5.550 -4.916 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.090 4.910 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.163 7.235 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.887 6.849 -6.923 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.668 6.314 -8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.977 7.111 -8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.540 5.813 -7.134 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.560 7.506 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.220 8.718 -9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.750 9.107 -7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.527 8.530 -8.559 1.00 0.00 H new ATOM 529 N ALA A 33 -9.285 3.200 -7.746 1.00 0.00 N ATOM 530 CA ALA A 33 -8.913 2.303 -8.845 1.00 0.00 C ATOM 531 C ALA A 33 -9.727 2.645 -10.105 1.00 0.00 C ATOM 532 O ALA A 33 -10.918 2.932 -9.993 1.00 0.00 O ATOM 533 CB ALA A 33 -9.207 0.859 -8.436 1.00 0.00 C ATOM 0 H ALA A 33 -10.124 2.920 -7.237 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.851 2.423 -9.060 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.932 0.187 -9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.629 0.608 -7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.270 0.751 -8.220 1.00 0.00 H new ATOM 539 N PRO A 34 -9.155 2.606 -11.300 1.00 0.00 N ATOM 540 CA PRO A 34 -9.929 2.913 -12.543 1.00 0.00 C ATOM 541 C PRO A 34 -11.309 2.247 -12.553 1.00 0.00 C ATOM 542 O PRO A 34 -12.258 2.778 -13.127 1.00 0.00 O ATOM 543 CB PRO A 34 -9.042 2.342 -13.662 1.00 0.00 C ATOM 544 CG PRO A 34 -7.645 2.482 -13.144 1.00 0.00 C ATOM 545 CD PRO A 34 -7.737 2.299 -11.614 1.00 0.00 C ATOM 0 HA PRO A 34 -10.133 3.979 -12.645 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -9.286 1.300 -13.868 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.176 2.891 -14.594 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.988 1.734 -13.587 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.232 3.459 -13.396 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.473 1.284 -11.317 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.058 2.971 -11.090 1.00 0.00 H new ATOM 553 N GLU A 35 -11.408 1.079 -11.925 1.00 0.00 N ATOM 554 CA GLU A 35 -12.674 0.355 -11.889 1.00 0.00 C ATOM 555 C GLU A 35 -13.663 1.069 -10.977 1.00 0.00 C ATOM 556 O GLU A 35 -14.793 1.349 -11.376 1.00 0.00 O ATOM 557 CB GLU A 35 -12.435 -1.069 -11.377 1.00 0.00 C ATOM 558 CG GLU A 35 -13.728 -1.887 -11.462 1.00 0.00 C ATOM 559 CD GLU A 35 -13.468 -3.325 -11.018 1.00 0.00 C ATOM 560 OE1 GLU A 35 -12.310 -3.704 -10.945 1.00 0.00 O ATOM 561 OE2 GLU A 35 -14.431 -4.026 -10.757 1.00 0.00 O ATOM 0 H GLU A 35 -10.638 0.619 -11.440 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.089 0.316 -12.896 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.653 -1.549 -11.966 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.083 -1.038 -10.346 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.495 -1.436 -10.832 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.108 -1.876 -12.484 1.00 0.00 H new ATOM 568 N ARG A 36 -13.221 1.372 -9.759 1.00 0.00 N ATOM 569 CA ARG A 36 -14.066 2.064 -8.792 1.00 0.00 C ATOM 570 C ARG A 36 -13.247 2.436 -7.551 1.00 0.00 C ATOM 571 O ARG A 36 -12.539 3.443 -7.551 1.00 0.00 O ATOM 572 CB ARG A 36 -15.262 1.174 -8.404 1.00 0.00 C ATOM 573 CG ARG A 36 -16.207 1.931 -7.461 1.00 0.00 C ATOM 574 CD ARG A 36 -17.379 1.027 -7.080 1.00 0.00 C ATOM 575 NE ARG A 36 -18.365 1.783 -6.313 1.00 0.00 N ATOM 576 CZ ARG A 36 -18.129 2.147 -5.055 1.00 0.00 C ATOM 577 NH1 ARG A 36 -19.025 2.828 -4.394 1.00 0.00 N ATOM 578 NH2 ARG A 36 -17.001 1.825 -4.484 1.00 0.00 N ATOM 0 H ARG A 36 -12.285 1.150 -9.420 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.448 2.980 -9.243 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -15.801 0.867 -9.300 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.905 0.265 -7.919 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.670 2.245 -6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -16.574 2.835 -7.946 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.841 0.619 -7.979 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -17.021 0.181 -6.493 1.00 0.00 H new ATOM 0 HE ARG A 36 -19.251 2.037 -6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.906 3.081 -4.842 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -18.844 3.107 -3.430 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.300 1.294 -5.002 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.820 2.104 -3.520 1.00 0.00 H new ATOM 592 N THR A 37 -13.350 1.627 -6.497 1.00 0.00 N ATOM 593 CA THR A 37 -12.625 1.884 -5.259 1.00 0.00 C ATOM 594 C THR A 37 -12.670 0.650 -4.365 1.00 0.00 C ATOM 595 O THR A 37 -13.612 -0.140 -4.436 1.00 0.00 O ATOM 596 CB THR A 37 -13.254 3.073 -4.524 1.00 0.00 C ATOM 597 OG1 THR A 37 -13.250 4.211 -5.374 1.00 0.00 O ATOM 598 CG2 THR A 37 -12.455 3.383 -3.256 1.00 0.00 C ATOM 0 H THR A 37 -13.930 0.788 -6.479 1.00 0.00 H new ATOM 0 HA THR A 37 -11.587 2.117 -5.499 1.00 0.00 H new ATOM 0 HB THR A 37 -14.279 2.823 -4.251 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.563 4.101 -6.065 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.907 4.229 -2.739 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.460 2.512 -2.601 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.428 3.629 -3.524 1.00 0.00 H new ATOM 606 N PHE A 38 -11.644 0.487 -3.525 1.00 0.00 N ATOM 607 CA PHE A 38 -11.556 -0.660 -2.608 1.00 0.00 C ATOM 608 C PHE A 38 -11.361 -0.178 -1.172 1.00 0.00 C ATOM 609 O PHE A 38 -10.563 0.722 -0.910 1.00 0.00 O ATOM 610 CB PHE A 38 -10.377 -1.550 -3.028 1.00 0.00 C ATOM 611 CG PHE A 38 -10.714 -2.245 -4.335 1.00 0.00 C ATOM 612 CD1 PHE A 38 -10.580 -1.553 -5.546 1.00 0.00 C ATOM 613 CD2 PHE A 38 -11.159 -3.575 -4.337 1.00 0.00 C ATOM 614 CE1 PHE A 38 -10.890 -2.189 -6.754 1.00 0.00 C ATOM 615 CE2 PHE A 38 -11.469 -4.209 -5.546 1.00 0.00 C ATOM 616 CZ PHE A 38 -11.333 -3.516 -6.754 1.00 0.00 C ATOM 0 H PHE A 38 -10.859 1.135 -3.459 1.00 0.00 H new ATOM 0 HA PHE A 38 -12.483 -1.232 -2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -9.476 -0.948 -3.145 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -10.169 -2.288 -2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.237 -0.529 -5.547 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.263 -4.111 -3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.787 -1.655 -7.687 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.813 -5.233 -5.546 1.00 0.00 H new ATOM 0 HZ PHE A 38 -11.570 -4.006 -7.687 1.00 0.00 H new ATOM 626 N ASP A 39 -12.095 -0.792 -0.247 1.00 0.00 N ATOM 627 CA ASP A 39 -11.996 -0.431 1.162 1.00 0.00 C ATOM 628 C ASP A 39 -10.673 -0.921 1.739 1.00 0.00 C ATOM 629 O ASP A 39 -10.394 -2.120 1.744 1.00 0.00 O ATOM 630 CB ASP A 39 -13.158 -1.047 1.941 1.00 0.00 C ATOM 631 CG ASP A 39 -13.127 -2.567 1.817 1.00 0.00 C ATOM 632 OD1 ASP A 39 -12.465 -3.057 0.917 1.00 0.00 O ATOM 633 OD2 ASP A 39 -13.764 -3.219 2.627 1.00 0.00 O ATOM 0 H ASP A 39 -12.761 -1.538 -0.448 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.041 0.655 1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.095 -0.759 2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.105 -0.663 1.561 1.00 0.00 H new ATOM 638 N LEU A 40 -9.854 0.017 2.218 1.00 0.00 N ATOM 639 CA LEU A 40 -8.541 -0.310 2.794 1.00 0.00 C ATOM 640 C LEU A 40 -8.335 0.442 4.102 1.00 0.00 C ATOM 641 O LEU A 40 -8.965 1.467 4.349 1.00 0.00 O ATOM 642 CB LEU A 40 -7.432 0.072 1.805 1.00 0.00 C ATOM 643 CG LEU A 40 -7.545 -0.778 0.520 1.00 0.00 C ATOM 644 CD1 LEU A 40 -6.549 -0.250 -0.521 1.00 0.00 C ATOM 645 CD2 LEU A 40 -7.248 -2.274 0.815 1.00 0.00 C ATOM 0 H LEU A 40 -10.074 1.013 2.220 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.502 -1.381 2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.505 1.131 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.456 -0.080 2.266 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.563 -0.701 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.624 -0.846 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.779 0.791 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.536 -0.320 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.334 -2.851 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.238 -2.373 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.963 -2.650 1.547 1.00 0.00 H new ATOM 657 N ASP A 41 -7.449 -0.082 4.945 1.00 0.00 N ATOM 658 CA ASP A 41 -7.165 0.541 6.238 1.00 0.00 C ATOM 659 C ASP A 41 -6.116 1.632 6.077 1.00 0.00 C ATOM 660 O ASP A 41 -5.341 1.628 5.120 1.00 0.00 O ATOM 661 CB ASP A 41 -6.642 -0.511 7.213 1.00 0.00 C ATOM 662 CG ASP A 41 -7.712 -1.567 7.468 1.00 0.00 C ATOM 663 OD1 ASP A 41 -8.870 -1.288 7.204 1.00 0.00 O ATOM 664 OD2 ASP A 41 -7.357 -2.642 7.924 1.00 0.00 O ATOM 0 H ASP A 41 -6.917 -0.932 4.759 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.086 0.979 6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.746 -0.981 6.807 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.356 -0.037 8.152 1.00 0.00 H new ATOM 669 N ASP A 42 -6.097 2.564 7.018 1.00 0.00 N ATOM 670 CA ASP A 42 -5.140 3.658 6.974 1.00 0.00 C ATOM 671 C ASP A 42 -3.711 3.129 7.038 1.00 0.00 C ATOM 672 O ASP A 42 -2.811 3.678 6.409 1.00 0.00 O ATOM 673 CB ASP A 42 -5.392 4.605 8.146 1.00 0.00 C ATOM 674 CG ASP A 42 -5.252 3.855 9.468 1.00 0.00 C ATOM 675 OD1 ASP A 42 -5.273 2.635 9.444 1.00 0.00 O ATOM 676 OD2 ASP A 42 -5.126 4.513 10.488 1.00 0.00 O ATOM 0 H ASP A 42 -6.730 2.585 7.817 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.268 4.195 6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.684 5.433 8.113 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.390 5.035 8.067 1.00 0.00 H new ATOM 681 N ASN A 43 -3.513 2.062 7.805 1.00 0.00 N ATOM 682 CA ASN A 43 -2.187 1.473 7.953 1.00 0.00 C ATOM 683 C ASN A 43 -1.673 0.944 6.616 1.00 0.00 C ATOM 684 O ASN A 43 -0.492 1.083 6.297 1.00 0.00 O ATOM 685 CB ASN A 43 -2.237 0.333 8.972 1.00 0.00 C ATOM 686 CG ASN A 43 -0.845 -0.259 9.165 1.00 0.00 C ATOM 687 OD1 ASN A 43 0.150 0.460 9.088 1.00 0.00 O ATOM 688 ND2 ASN A 43 -0.715 -1.533 9.414 1.00 0.00 N ATOM 0 H ASN A 43 -4.249 1.590 8.331 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.505 2.248 8.303 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.619 0.702 9.924 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.925 -0.440 8.631 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.213 -1.935 9.545 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.542 -2.127 9.477 1.00 0.00 H new ATOM 695 N ALA A 44 -2.562 0.334 5.839 1.00 0.00 N ATOM 696 CA ALA A 44 -2.179 -0.214 4.542 1.00 0.00 C ATOM 697 C ALA A 44 -1.845 0.906 3.564 1.00 0.00 C ATOM 698 O ALA A 44 -0.942 0.771 2.743 1.00 0.00 O ATOM 699 CB ALA A 44 -3.318 -1.066 3.979 1.00 0.00 C ATOM 0 H ALA A 44 -3.545 0.207 6.082 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.294 -0.836 4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.025 -1.472 3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.533 -1.885 4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.209 -0.449 3.859 1.00 0.00 H new ATOM 705 N VAL A 45 -2.580 2.014 3.652 1.00 0.00 N ATOM 706 CA VAL A 45 -2.347 3.162 2.770 1.00 0.00 C ATOM 707 C VAL A 45 -1.291 4.095 3.366 1.00 0.00 C ATOM 708 O VAL A 45 -0.696 4.905 2.657 1.00 0.00 O ATOM 709 CB VAL A 45 -3.655 3.931 2.559 1.00 0.00 C ATOM 710 CG1 VAL A 45 -3.428 5.085 1.571 1.00 0.00 C ATOM 711 CG2 VAL A 45 -4.714 2.976 2.000 1.00 0.00 C ATOM 0 H VAL A 45 -3.339 2.143 4.321 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.984 2.792 1.811 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.994 4.340 3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.362 5.628 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.673 5.762 1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.088 4.685 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.648 3.517 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.371 2.569 1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.878 2.161 2.705 1.00 0.00 H new ATOM 721 N ALA A 46 -1.063 3.978 4.674 1.00 0.00 N ATOM 722 CA ALA A 46 -0.081 4.823 5.347 1.00 0.00 C ATOM 723 C ALA A 46 1.292 4.643 4.719 1.00 0.00 C ATOM 724 O ALA A 46 1.960 5.615 4.379 1.00 0.00 O ATOM 725 CB ALA A 46 -0.015 4.473 6.840 1.00 0.00 C ATOM 0 H ALA A 46 -1.540 3.313 5.282 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.388 5.863 5.236 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.721 5.110 7.331 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.993 4.632 7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.274 3.428 6.956 1.00 0.00 H new ATOM 731 N VAL A 47 1.706 3.393 4.569 1.00 0.00 N ATOM 732 CA VAL A 47 3.002 3.101 3.977 1.00 0.00 C ATOM 733 C VAL A 47 3.057 3.601 2.541 1.00 0.00 C ATOM 734 O VAL A 47 4.079 4.122 2.101 1.00 0.00 O ATOM 735 CB VAL A 47 3.295 1.596 4.033 1.00 0.00 C ATOM 736 CG1 VAL A 47 3.430 1.157 5.494 1.00 0.00 C ATOM 737 CG2 VAL A 47 2.169 0.796 3.354 1.00 0.00 C ATOM 0 H VAL A 47 1.168 2.572 4.846 1.00 0.00 H new ATOM 0 HA VAL A 47 3.767 3.621 4.553 1.00 0.00 H new ATOM 0 HB VAL A 47 4.226 1.401 3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.638 0.088 5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.247 1.704 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.501 1.366 6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.397 -0.269 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.226 0.990 3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.085 1.099 2.310 1.00 0.00 H new ATOM 747 N LEU A 48 1.952 3.440 1.816 1.00 0.00 N ATOM 748 CA LEU A 48 1.886 3.886 0.427 1.00 0.00 C ATOM 749 C LEU A 48 1.898 5.412 0.359 1.00 0.00 C ATOM 750 O LEU A 48 2.406 5.994 -0.600 1.00 0.00 O ATOM 751 CB LEU A 48 0.623 3.345 -0.249 1.00 0.00 C ATOM 752 CG LEU A 48 0.520 1.821 -0.060 1.00 0.00 C ATOM 753 CD1 LEU A 48 -0.774 1.310 -0.714 1.00 0.00 C ATOM 754 CD2 LEU A 48 1.739 1.113 -0.699 1.00 0.00 C ATOM 0 H LEU A 48 1.096 3.007 2.164 1.00 0.00 H new ATOM 0 HA LEU A 48 2.759 3.501 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.258 3.830 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.641 3.585 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 48 0.506 1.599 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.848 0.231 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.633 1.793 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.761 1.544 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.650 0.036 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.772 1.336 -1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.655 1.467 -0.226 1.00 0.00 H new ATOM 766 N LYS A 49 1.334 6.062 1.377 1.00 0.00 N ATOM 767 CA LYS A 49 1.298 7.526 1.427 1.00 0.00 C ATOM 768 C LYS A 49 2.578 8.082 2.064 1.00 0.00 C ATOM 769 O LYS A 49 3.010 9.187 1.738 1.00 0.00 O ATOM 770 CB LYS A 49 0.080 7.979 2.234 1.00 0.00 C ATOM 771 CG LYS A 49 -0.096 9.504 2.112 1.00 0.00 C ATOM 772 CD LYS A 49 -1.425 9.951 2.779 1.00 0.00 C ATOM 773 CE LYS A 49 -2.597 9.847 1.781 1.00 0.00 C ATOM 774 NZ LYS A 49 -2.534 10.986 0.821 1.00 0.00 N ATOM 0 H LYS A 49 0.897 5.602 2.176 1.00 0.00 H new ATOM 0 HA LYS A 49 1.228 7.908 0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.815 7.472 1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.204 7.702 3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.744 10.012 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.094 9.794 1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.627 9.329 3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.333 10.978 3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.548 8.900 1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.547 9.860 2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.435 11.057 0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.362 11.870 1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.760 10.827 0.144 1.00 0.00 H new ATOM 788 N LEU A 50 3.167 7.314 2.985 1.00 0.00 N ATOM 789 CA LEU A 50 4.385 7.746 3.678 1.00 0.00 C ATOM 790 C LEU A 50 5.589 7.692 2.743 1.00 0.00 C ATOM 791 O LEU A 50 6.512 8.499 2.860 1.00 0.00 O ATOM 792 CB LEU A 50 4.636 6.823 4.886 1.00 0.00 C ATOM 793 CG LEU A 50 5.869 7.275 5.704 1.00 0.00 C ATOM 794 CD1 LEU A 50 5.654 8.687 6.295 1.00 0.00 C ATOM 795 CD2 LEU A 50 6.097 6.269 6.844 1.00 0.00 C ATOM 0 H LEU A 50 2.823 6.396 3.267 1.00 0.00 H new ATOM 0 HA LEU A 50 4.250 8.775 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.755 6.816 5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.785 5.801 4.538 1.00 0.00 H new ATOM 0 HG LEU A 50 6.738 7.311 5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.535 8.981 6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.491 9.399 5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.784 8.678 6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.964 6.574 7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.216 6.241 7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.273 5.278 6.425 1.00 0.00 H new ATOM 807 N VAL A 51 5.579 6.740 1.813 1.00 0.00 N ATOM 808 CA VAL A 51 6.684 6.604 0.867 1.00 0.00 C ATOM 809 C VAL A 51 6.625 7.701 -0.194 1.00 0.00 C ATOM 810 O VAL A 51 5.601 7.896 -0.848 1.00 0.00 O ATOM 811 CB VAL A 51 6.651 5.217 0.202 1.00 0.00 C ATOM 812 CG1 VAL A 51 5.324 5.010 -0.536 1.00 0.00 C ATOM 813 CG2 VAL A 51 7.814 5.093 -0.789 1.00 0.00 C ATOM 0 H VAL A 51 4.829 6.059 1.694 1.00 0.00 H new ATOM 0 HA VAL A 51 7.620 6.707 1.416 1.00 0.00 H new ATOM 0 HB VAL A 51 6.746 4.455 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.316 4.024 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.499 5.084 0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.212 5.775 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.789 4.110 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.723 5.863 -1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.758 5.218 -0.259 1.00 0.00 H new ATOM 823 N ASP A 52 7.736 8.410 -0.360 1.00 0.00 N ATOM 824 CA ASP A 52 7.813 9.477 -1.351 1.00 0.00 C ATOM 825 C ASP A 52 7.761 8.888 -2.765 1.00 0.00 C ATOM 826 O ASP A 52 7.074 9.413 -3.642 1.00 0.00 O ATOM 827 CB ASP A 52 9.112 10.270 -1.154 1.00 0.00 C ATOM 828 CG ASP A 52 9.047 11.073 0.147 1.00 0.00 C ATOM 829 OD1 ASP A 52 7.960 11.215 0.684 1.00 0.00 O ATOM 830 OD2 ASP A 52 10.089 11.530 0.589 1.00 0.00 O ATOM 0 H ASP A 52 8.592 8.266 0.176 1.00 0.00 H new ATOM 0 HA ASP A 52 6.963 10.147 -1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.962 9.589 -1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.268 10.942 -1.998 1.00 0.00 H new ATOM 835 N GLY A 53 8.493 7.785 -2.974 1.00 0.00 N ATOM 836 CA GLY A 53 8.536 7.109 -4.282 1.00 0.00 C ATOM 837 C GLY A 53 8.671 5.603 -4.103 1.00 0.00 C ATOM 838 O GLY A 53 7.683 4.913 -3.851 1.00 0.00 O ATOM 0 H GLY A 53 9.064 7.340 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.629 7.334 -4.844 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.375 7.488 -4.866 1.00 0.00 H new ATOM 842 N ARG A 54 9.903 5.090 -4.239 1.00 0.00 N ATOM 843 CA ARG A 54 10.159 3.650 -4.079 1.00 0.00 C ATOM 844 C ARG A 54 11.051 3.396 -2.864 1.00 0.00 C ATOM 845 O ARG A 54 12.262 3.610 -2.922 1.00 0.00 O ATOM 846 CB ARG A 54 10.871 3.145 -5.334 1.00 0.00 C ATOM 847 CG ARG A 54 9.961 3.341 -6.547 1.00 0.00 C ATOM 848 CD ARG A 54 10.716 2.973 -7.826 1.00 0.00 C ATOM 849 NE ARG A 54 11.040 1.554 -7.827 1.00 0.00 N ATOM 850 CZ ARG A 54 11.776 1.015 -8.792 1.00 0.00 C ATOM 851 NH1 ARG A 54 12.052 -0.260 -8.765 1.00 0.00 N ATOM 852 NH2 ARG A 54 12.221 1.759 -9.767 1.00 0.00 N ATOM 0 H ARG A 54 10.731 5.644 -4.457 1.00 0.00 H new ATOM 0 HA ARG A 54 9.213 3.129 -3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.807 3.685 -5.477 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.125 2.091 -5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.070 2.721 -6.449 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.625 4.377 -6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.109 3.216 -8.698 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.630 3.562 -7.900 1.00 0.00 H new ATOM 0 HE ARG A 54 10.695 0.962 -7.072 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.703 -0.841 -8.003 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.617 -0.675 -9.506 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.004 2.755 -9.788 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.786 1.344 -10.508 1.00 0.00 H new ATOM 866 N ASN A 55 10.448 2.906 -1.773 1.00 0.00 N ATOM 867 CA ASN A 55 11.183 2.574 -0.538 1.00 0.00 C ATOM 868 C ASN A 55 11.070 1.081 -0.243 1.00 0.00 C ATOM 869 O ASN A 55 10.115 0.426 -0.664 1.00 0.00 O ATOM 870 CB ASN A 55 10.653 3.396 0.651 1.00 0.00 C ATOM 871 CG ASN A 55 11.134 4.846 0.550 1.00 0.00 C ATOM 872 OD1 ASN A 55 12.048 5.147 -0.218 1.00 0.00 O ATOM 873 ND2 ASN A 55 10.570 5.765 1.286 1.00 0.00 N ATOM 0 H ASN A 55 9.445 2.728 -1.718 1.00 0.00 H new ATOM 0 HA ASN A 55 12.233 2.825 -0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.563 3.367 0.665 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.996 2.956 1.588 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.887 6.733 1.225 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.813 5.515 1.922 1.00 0.00 H new ATOM 880 N THR A 56 12.037 0.556 0.500 1.00 0.00 N ATOM 881 CA THR A 56 12.029 -0.858 0.873 1.00 0.00 C ATOM 882 C THR A 56 11.092 -1.065 2.057 1.00 0.00 C ATOM 883 O THR A 56 11.040 -0.237 2.964 1.00 0.00 O ATOM 884 CB THR A 56 13.445 -1.302 1.254 1.00 0.00 C ATOM 885 OG1 THR A 56 13.742 -0.845 2.568 1.00 0.00 O ATOM 886 CG2 THR A 56 14.452 -0.706 0.266 1.00 0.00 C ATOM 0 H THR A 56 12.834 1.083 0.856 1.00 0.00 H new ATOM 0 HA THR A 56 11.683 -1.452 0.027 1.00 0.00 H new ATOM 0 HB THR A 56 13.508 -2.390 1.222 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.116 -1.582 3.094 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.459 -1.022 0.538 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.222 -1.053 -0.741 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.392 0.382 0.298 1.00 0.00 H new ATOM 894 N VAL A 57 10.351 -2.166 2.047 1.00 0.00 N ATOM 895 CA VAL A 57 9.417 -2.446 3.132 1.00 0.00 C ATOM 896 C VAL A 57 10.135 -2.432 4.479 1.00 0.00 C ATOM 897 O VAL A 57 9.621 -1.897 5.462 1.00 0.00 O ATOM 898 CB VAL A 57 8.745 -3.804 2.904 1.00 0.00 C ATOM 899 CG1 VAL A 57 8.089 -3.805 1.521 1.00 0.00 C ATOM 900 CG2 VAL A 57 9.789 -4.933 2.981 1.00 0.00 C ATOM 0 H VAL A 57 10.377 -2.871 1.311 1.00 0.00 H new ATOM 0 HA VAL A 57 8.654 -1.668 3.144 1.00 0.00 H new ATOM 0 HB VAL A 57 7.992 -3.971 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.607 -4.767 1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.343 -3.012 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.849 -3.637 0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.299 -5.893 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.549 -4.778 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.258 -4.928 3.965 1.00 0.00 H new ATOM 910 N SER A 58 11.324 -3.019 4.518 1.00 0.00 N ATOM 911 CA SER A 58 12.098 -3.063 5.749 1.00 0.00 C ATOM 912 C SER A 58 12.358 -1.653 6.275 1.00 0.00 C ATOM 913 O SER A 58 12.253 -1.405 7.474 1.00 0.00 O ATOM 914 CB SER A 58 13.427 -3.777 5.505 1.00 0.00 C ATOM 915 OG SER A 58 13.170 -5.128 5.144 1.00 0.00 O ATOM 0 H SER A 58 11.770 -3.468 3.718 1.00 0.00 H new ATOM 0 HA SER A 58 11.525 -3.612 6.496 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.983 -3.276 4.713 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.045 -3.739 6.402 1.00 0.00 H new ATOM 0 HG SER A 58 14.019 -5.591 4.984 1.00 0.00 H new ATOM 921 N GLN A 59 12.698 -0.734 5.376 1.00 0.00 N ATOM 922 CA GLN A 59 12.973 0.644 5.778 1.00 0.00 C ATOM 923 C GLN A 59 11.720 1.291 6.359 1.00 0.00 C ATOM 924 O GLN A 59 11.763 1.908 7.423 1.00 0.00 O ATOM 925 CB GLN A 59 13.455 1.454 4.573 1.00 0.00 C ATOM 926 CG GLN A 59 13.845 2.867 5.019 1.00 0.00 C ATOM 927 CD GLN A 59 14.478 3.623 3.859 1.00 0.00 C ATOM 928 OE1 GLN A 59 14.885 3.017 2.868 1.00 0.00 O ATOM 929 NE2 GLN A 59 14.584 4.921 3.924 1.00 0.00 N ATOM 0 H GLN A 59 12.789 -0.914 4.376 1.00 0.00 H new ATOM 0 HA GLN A 59 13.751 0.632 6.541 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.309 0.960 4.110 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.669 1.505 3.820 1.00 0.00 H new ATOM 0 HG2 GLN A 59 12.964 3.401 5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.544 2.814 5.854 1.00 0.00 H new ATOM 0 HE21 GLN A 59 14.246 5.420 4.747 1.00 0.00 H new ATOM 0 HE22 GLN A 59 15.005 5.438 3.152 1.00 0.00 H new ATOM 938 N ILE A 60 10.604 1.138 5.658 1.00 0.00 N ATOM 939 CA ILE A 60 9.341 1.701 6.120 1.00 0.00 C ATOM 940 C ILE A 60 8.968 1.097 7.467 1.00 0.00 C ATOM 941 O ILE A 60 8.529 1.799 8.378 1.00 0.00 O ATOM 942 CB ILE A 60 8.232 1.436 5.092 1.00 0.00 C ATOM 943 CG1 ILE A 60 8.659 1.988 3.720 1.00 0.00 C ATOM 944 CG2 ILE A 60 6.937 2.122 5.545 1.00 0.00 C ATOM 945 CD1 ILE A 60 7.677 1.521 2.642 1.00 0.00 C ATOM 0 H ILE A 60 10.547 0.633 4.774 1.00 0.00 H new ATOM 0 HA ILE A 60 9.455 2.779 6.235 1.00 0.00 H new ATOM 0 HB ILE A 60 8.061 0.362 5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.689 3.077 3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.666 1.648 3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.150 1.933 4.814 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.635 1.725 6.514 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.104 3.196 5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.985 1.915 1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.669 0.432 2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.677 1.883 2.879 1.00 0.00 H new ATOM 957 N ALA A 61 9.148 -0.212 7.580 1.00 0.00 N ATOM 958 CA ALA A 61 8.832 -0.923 8.812 1.00 0.00 C ATOM 959 C ALA A 61 9.535 -0.284 10.009 1.00 0.00 C ATOM 960 O ALA A 61 8.965 -0.203 11.095 1.00 0.00 O ATOM 961 CB ALA A 61 9.264 -2.384 8.680 1.00 0.00 C ATOM 0 H ALA A 61 9.511 -0.804 6.833 1.00 0.00 H new ATOM 0 HA ALA A 61 7.756 -0.868 8.979 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.028 -2.918 9.601 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.734 -2.846 7.847 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.338 -2.431 8.498 1.00 0.00 H new ATOM 967 N GLN A 62 10.772 0.166 9.811 1.00 0.00 N ATOM 968 CA GLN A 62 11.519 0.797 10.897 1.00 0.00 C ATOM 969 C GLN A 62 10.837 2.090 11.337 1.00 0.00 C ATOM 970 O GLN A 62 10.553 2.281 12.516 1.00 0.00 O ATOM 971 CB GLN A 62 12.956 1.108 10.444 1.00 0.00 C ATOM 972 CG GLN A 62 13.744 -0.192 10.241 1.00 0.00 C ATOM 973 CD GLN A 62 14.022 -0.861 11.582 1.00 0.00 C ATOM 974 OE1 GLN A 62 14.451 -0.203 12.530 1.00 0.00 O ATOM 975 NE2 GLN A 62 13.805 -2.137 11.716 1.00 0.00 N ATOM 0 H GLN A 62 11.272 0.107 8.924 1.00 0.00 H new ATOM 0 HA GLN A 62 11.546 0.104 11.738 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.936 1.678 9.515 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.453 1.730 11.189 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.181 -0.870 9.599 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.684 0.021 9.732 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.450 -2.679 10.929 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.990 -2.595 12.608 1.00 0.00 H new ATOM 984 N ILE A 63 10.584 2.981 10.383 1.00 0.00 N ATOM 985 CA ILE A 63 9.950 4.255 10.702 1.00 0.00 C ATOM 986 C ILE A 63 8.541 4.030 11.245 1.00 0.00 C ATOM 987 O ILE A 63 8.172 4.578 12.283 1.00 0.00 O ATOM 988 CB ILE A 63 9.897 5.138 9.446 1.00 0.00 C ATOM 989 CG1 ILE A 63 11.326 5.348 8.907 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.274 6.499 9.797 1.00 0.00 C ATOM 991 CD1 ILE A 63 11.269 6.005 7.525 1.00 0.00 C ATOM 0 H ILE A 63 10.805 2.847 9.396 1.00 0.00 H new ATOM 0 HA ILE A 63 10.539 4.758 11.469 1.00 0.00 H new ATOM 0 HB ILE A 63 9.289 4.650 8.685 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.895 5.974 9.594 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.845 4.391 8.844 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.238 7.124 8.904 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.263 6.349 10.177 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.879 6.990 10.559 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.282 6.151 7.149 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.717 5.363 6.839 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.768 6.970 7.601 1.00 0.00 H new ATOM 1003 N LEU A 64 7.761 3.214 10.543 1.00 0.00 N ATOM 1004 CA LEU A 64 6.398 2.919 10.973 1.00 0.00 C ATOM 1005 C LEU A 64 6.415 2.114 12.272 1.00 0.00 C ATOM 1006 O LEU A 64 5.583 2.318 13.155 1.00 0.00 O ATOM 1007 CB LEU A 64 5.659 2.137 9.874 1.00 0.00 C ATOM 1008 CG LEU A 64 4.166 1.956 10.236 1.00 0.00 C ATOM 1009 CD1 LEU A 64 3.445 3.328 10.320 1.00 0.00 C ATOM 1010 CD2 LEU A 64 3.493 1.084 9.165 1.00 0.00 C ATOM 0 H LEU A 64 8.046 2.749 9.681 1.00 0.00 H new ATOM 0 HA LEU A 64 5.874 3.858 11.153 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.746 2.666 8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.126 1.161 9.740 1.00 0.00 H new ATOM 0 HG LEU A 64 4.096 1.474 11.211 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.397 3.173 10.576 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.919 3.942 11.086 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.512 3.834 9.357 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.440 0.951 9.413 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.579 1.570 8.193 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.982 0.111 9.128 1.00 0.00 H new ATOM 1022 N GLY A 65 7.362 1.189 12.375 1.00 0.00 N ATOM 1023 CA GLY A 65 7.475 0.347 13.562 1.00 0.00 C ATOM 1024 C GLY A 65 7.682 1.187 14.817 1.00 0.00 C ATOM 1025 O GLY A 65 7.080 0.920 15.857 1.00 0.00 O ATOM 0 H GLY A 65 8.060 1.003 11.655 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.574 -0.257 13.670 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.309 -0.344 13.442 1.00 0.00 H new ATOM 1029 N GLN A 66 8.526 2.207 14.714 1.00 0.00 N ATOM 1030 CA GLN A 66 8.790 3.081 15.852 1.00 0.00 C ATOM 1031 C GLN A 66 7.533 3.867 16.222 1.00 0.00 C ATOM 1032 O GLN A 66 7.328 4.207 17.388 1.00 0.00 O ATOM 1033 CB GLN A 66 9.939 4.047 15.520 1.00 0.00 C ATOM 1034 CG GLN A 66 11.268 3.285 15.476 1.00 0.00 C ATOM 1035 CD GLN A 66 12.383 4.216 15.012 1.00 0.00 C ATOM 1036 OE1 GLN A 66 12.145 5.401 14.780 1.00 0.00 O ATOM 1037 NE2 GLN A 66 13.593 3.751 14.860 1.00 0.00 N ATOM 0 H GLN A 66 9.035 2.448 13.864 1.00 0.00 H new ATOM 0 HA GLN A 66 9.080 2.466 16.704 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.754 4.528 14.560 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.988 4.838 16.269 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.502 2.887 16.463 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.187 2.434 14.800 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.790 2.769 15.052 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.342 4.370 14.549 1.00 0.00 H new ATOM 1046 N THR A 67 6.695 4.154 15.230 1.00 0.00 N ATOM 1047 CA THR A 67 5.468 4.902 15.486 1.00 0.00 C ATOM 1048 C THR A 67 4.561 4.120 16.432 1.00 0.00 C ATOM 1049 O THR A 67 4.076 4.659 17.428 1.00 0.00 O ATOM 1050 CB THR A 67 4.732 5.174 14.165 1.00 0.00 C ATOM 1051 OG1 THR A 67 5.645 5.715 13.219 1.00 0.00 O ATOM 1052 CG2 THR A 67 3.590 6.166 14.397 1.00 0.00 C ATOM 0 H THR A 67 6.839 3.885 14.257 1.00 0.00 H new ATOM 0 HA THR A 67 5.729 5.852 15.952 1.00 0.00 H new ATOM 0 HB THR A 67 4.320 4.239 13.785 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.178 5.888 12.375 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.074 6.353 13.455 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.888 5.750 15.119 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.994 7.102 14.782 1.00 0.00 H new ATOM 1060 N TYR A 68 4.345 2.839 16.124 1.00 0.00 N ATOM 1061 CA TYR A 68 3.505 1.971 16.958 1.00 0.00 C ATOM 1062 C TYR A 68 4.361 1.193 17.954 1.00 0.00 C ATOM 1063 O TYR A 68 3.838 0.443 18.777 1.00 0.00 O ATOM 1064 CB TYR A 68 2.728 0.987 16.072 1.00 0.00 C ATOM 1065 CG TYR A 68 1.710 1.744 15.241 1.00 0.00 C ATOM 1066 CD1 TYR A 68 2.057 2.243 13.979 1.00 0.00 C ATOM 1067 CD2 TYR A 68 0.415 1.949 15.740 1.00 0.00 C ATOM 1068 CE1 TYR A 68 1.111 2.943 13.220 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -0.527 2.649 14.980 1.00 0.00 C ATOM 1070 CZ TYR A 68 -0.180 3.146 13.720 1.00 0.00 C ATOM 1071 OH TYR A 68 -1.109 3.837 12.971 1.00 0.00 O ATOM 0 H TYR A 68 4.739 2.378 15.304 1.00 0.00 H new ATOM 0 HA TYR A 68 2.803 2.597 17.509 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.416 0.448 15.420 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.226 0.243 16.691 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.053 2.088 13.592 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.145 1.565 16.713 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.378 3.327 12.247 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.523 2.806 15.366 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.955 3.887 13.464 1.00 0.00 H new ATOM 1081 N ASP A 69 5.675 1.376 17.878 1.00 0.00 N ATOM 1082 CA ASP A 69 6.586 0.683 18.788 1.00 0.00 C ATOM 1083 C ASP A 69 6.325 -0.822 18.776 1.00 0.00 C ATOM 1084 O ASP A 69 5.956 -1.405 19.795 1.00 0.00 O ATOM 1085 CB ASP A 69 6.408 1.216 20.211 1.00 0.00 C ATOM 1086 CG ASP A 69 7.479 0.635 21.134 1.00 0.00 C ATOM 1087 OD1 ASP A 69 8.215 -0.233 20.691 1.00 0.00 O ATOM 1088 OD2 ASP A 69 7.544 1.065 22.273 1.00 0.00 O ATOM 0 H ASP A 69 6.131 1.991 17.204 1.00 0.00 H new ATOM 0 HA ASP A 69 7.607 0.866 18.452 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.471 2.304 20.209 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.417 0.955 20.583 1.00 0.00 H new ATOM 1093 N ALA A 70 6.513 -1.442 17.612 1.00 0.00 N ATOM 1094 CA ALA A 70 6.292 -2.886 17.454 1.00 0.00 C ATOM 1095 C ALA A 70 7.413 -3.502 16.624 1.00 0.00 C ATOM 1096 O ALA A 70 8.101 -2.804 15.879 1.00 0.00 O ATOM 1097 CB ALA A 70 4.946 -3.124 16.763 1.00 0.00 C ATOM 0 H ALA A 70 6.818 -0.970 16.761 1.00 0.00 H new ATOM 0 HA ALA A 70 6.284 -3.355 18.438 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.782 -4.195 16.646 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.146 -2.698 17.369 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.951 -2.648 15.782 1.00 0.00 H new ATOM 1103 N ASP A 71 7.600 -4.810 16.767 1.00 0.00 N ATOM 1104 CA ASP A 71 8.649 -5.511 16.034 1.00 0.00 C ATOM 1105 C ASP A 71 8.487 -5.275 14.515 1.00 0.00 C ATOM 1106 O ASP A 71 7.505 -5.736 13.936 1.00 0.00 O ATOM 1107 CB ASP A 71 8.552 -7.014 16.329 1.00 0.00 C ATOM 1108 CG ASP A 71 8.890 -7.286 17.795 1.00 0.00 C ATOM 1109 OD1 ASP A 71 9.652 -6.519 18.360 1.00 0.00 O ATOM 1110 OD2 ASP A 71 8.383 -8.258 18.329 1.00 0.00 O ATOM 0 H ASP A 71 7.042 -5.404 17.380 1.00 0.00 H new ATOM 0 HA ASP A 71 9.621 -5.132 16.350 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.546 -7.372 16.107 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.236 -7.564 15.682 1.00 0.00 H new ATOM 1115 N PRO A 72 9.408 -4.589 13.850 1.00 0.00 N ATOM 1116 CA PRO A 72 9.292 -4.339 12.375 1.00 0.00 C ATOM 1117 C PRO A 72 8.967 -5.619 11.594 1.00 0.00 C ATOM 1118 O PRO A 72 8.260 -5.575 10.587 1.00 0.00 O ATOM 1119 CB PRO A 72 10.682 -3.789 11.982 1.00 0.00 C ATOM 1120 CG PRO A 72 11.218 -3.161 13.236 1.00 0.00 C ATOM 1121 CD PRO A 72 10.627 -3.964 14.409 1.00 0.00 C ATOM 0 HA PRO A 72 8.478 -3.653 12.141 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.336 -4.586 11.628 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.605 -3.059 11.176 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.307 -3.194 13.252 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.930 -2.112 13.299 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.329 -4.716 14.770 1.00 0.00 H new ATOM 0 HD3 PRO A 72 10.390 -3.317 15.254 1.00 0.00 H new ATOM 1129 N ALA A 73 9.490 -6.749 12.060 1.00 0.00 N ATOM 1130 CA ALA A 73 9.252 -8.028 11.391 1.00 0.00 C ATOM 1131 C ALA A 73 7.755 -8.253 11.177 1.00 0.00 C ATOM 1132 O ALA A 73 7.331 -8.754 10.136 1.00 0.00 O ATOM 1133 CB ALA A 73 9.824 -9.167 12.236 1.00 0.00 C ATOM 0 H ALA A 73 10.077 -6.808 12.892 1.00 0.00 H new ATOM 0 HA ALA A 73 9.746 -8.008 10.420 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.645 -10.118 11.734 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.897 -9.021 12.365 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.339 -9.175 13.212 1.00 0.00 H new ATOM 1139 N ILE A 74 6.959 -7.878 12.169 1.00 0.00 N ATOM 1140 CA ILE A 74 5.509 -8.027 12.075 1.00 0.00 C ATOM 1141 C ILE A 74 4.938 -7.013 11.086 1.00 0.00 C ATOM 1142 O ILE A 74 4.053 -7.332 10.291 1.00 0.00 O ATOM 1143 CB ILE A 74 4.864 -7.831 13.453 1.00 0.00 C ATOM 1144 CG1 ILE A 74 5.490 -8.819 14.452 1.00 0.00 C ATOM 1145 CG2 ILE A 74 3.352 -8.092 13.350 1.00 0.00 C ATOM 1146 CD1 ILE A 74 5.000 -8.510 15.869 1.00 0.00 C ATOM 0 H ILE A 74 7.288 -7.470 13.044 1.00 0.00 H new ATOM 0 HA ILE A 74 5.286 -9.033 11.720 1.00 0.00 H new ATOM 0 HB ILE A 74 5.033 -6.810 13.796 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.224 -9.841 14.181 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.577 -8.751 14.411 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.891 -7.953 14.328 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.910 -7.394 12.639 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.181 -9.114 13.010 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.448 -9.214 16.570 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.288 -7.494 16.140 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.914 -8.601 15.907 1.00 0.00 H new ATOM 1158 N ILE A 75 5.438 -5.781 11.165 1.00 0.00 N ATOM 1159 CA ILE A 75 4.960 -4.707 10.299 1.00 0.00 C ATOM 1160 C ILE A 75 5.208 -5.028 8.827 1.00 0.00 C ATOM 1161 O ILE A 75 4.300 -4.915 8.005 1.00 0.00 O ATOM 1162 CB ILE A 75 5.688 -3.402 10.651 1.00 0.00 C ATOM 1163 CG1 ILE A 75 5.595 -3.130 12.164 1.00 0.00 C ATOM 1164 CG2 ILE A 75 5.069 -2.232 9.880 1.00 0.00 C ATOM 1165 CD1 ILE A 75 4.136 -3.139 12.655 1.00 0.00 C ATOM 0 H ILE A 75 6.171 -5.503 11.818 1.00 0.00 H new ATOM 0 HA ILE A 75 3.887 -4.600 10.457 1.00 0.00 H new ATOM 0 HB ILE A 75 6.737 -3.503 10.372 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.166 -3.885 12.705 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.049 -2.165 12.389 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.592 -1.310 10.136 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.158 -2.414 8.809 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.016 -2.138 10.146 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.112 -2.943 13.727 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.571 -2.367 12.132 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.690 -4.113 12.454 1.00 0.00 H new ATOM 1177 N GLU A 76 6.438 -5.422 8.494 1.00 0.00 N ATOM 1178 CA GLU A 76 6.766 -5.743 7.107 1.00 0.00 C ATOM 1179 C GLU A 76 5.977 -6.963 6.650 1.00 0.00 C ATOM 1180 O GLU A 76 5.430 -6.988 5.546 1.00 0.00 O ATOM 1181 CB GLU A 76 8.277 -5.988 6.951 1.00 0.00 C ATOM 1182 CG GLU A 76 8.707 -7.215 7.762 1.00 0.00 C ATOM 1183 CD GLU A 76 10.231 -7.299 7.834 1.00 0.00 C ATOM 1184 OE1 GLU A 76 10.856 -6.259 7.953 1.00 0.00 O ATOM 1185 OE2 GLU A 76 10.747 -8.403 7.775 1.00 0.00 O ATOM 0 H GLU A 76 7.210 -5.525 9.153 1.00 0.00 H new ATOM 0 HA GLU A 76 6.492 -4.895 6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.521 -6.136 5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.830 -5.111 7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.292 -7.157 8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.308 -8.120 7.304 1.00 0.00 H new ATOM 1192 N ALA A 77 5.913 -7.968 7.516 1.00 0.00 N ATOM 1193 CA ALA A 77 5.185 -9.193 7.216 1.00 0.00 C ATOM 1194 C ALA A 77 3.693 -8.922 7.050 1.00 0.00 C ATOM 1195 O ALA A 77 2.980 -9.720 6.447 1.00 0.00 O ATOM 1196 CB ALA A 77 5.396 -10.213 8.333 1.00 0.00 C ATOM 0 H ALA A 77 6.358 -7.957 8.434 1.00 0.00 H new ATOM 0 HA ALA A 77 5.570 -9.591 6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.848 -11.126 8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.458 -10.440 8.422 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.033 -9.802 9.275 1.00 0.00 H new ATOM 1202 N ASP A 78 3.219 -7.804 7.608 1.00 0.00 N ATOM 1203 CA ASP A 78 1.799 -7.450 7.519 1.00 0.00 C ATOM 1204 C ASP A 78 1.467 -6.864 6.144 1.00 0.00 C ATOM 1205 O ASP A 78 0.532 -7.310 5.479 1.00 0.00 O ATOM 1206 CB ASP A 78 1.452 -6.431 8.609 1.00 0.00 C ATOM 1207 CG ASP A 78 -0.055 -6.182 8.651 1.00 0.00 C ATOM 1208 OD1 ASP A 78 -0.749 -6.674 7.776 1.00 0.00 O ATOM 1209 OD2 ASP A 78 -0.494 -5.500 9.564 1.00 0.00 O ATOM 0 H ASP A 78 3.791 -7.134 8.122 1.00 0.00 H new ATOM 0 HA ASP A 78 1.209 -8.356 7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.793 -6.796 9.578 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.976 -5.494 8.419 1.00 0.00 H new ATOM 1214 N ILE A 79 2.238 -5.856 5.727 1.00 0.00 N ATOM 1215 CA ILE A 79 2.023 -5.205 4.431 1.00 0.00 C ATOM 1216 C ILE A 79 2.490 -6.092 3.273 1.00 0.00 C ATOM 1217 O ILE A 79 1.864 -6.118 2.218 1.00 0.00 O ATOM 1218 CB ILE A 79 2.739 -3.843 4.394 1.00 0.00 C ATOM 1219 CG1 ILE A 79 4.235 -4.031 4.679 1.00 0.00 C ATOM 1220 CG2 ILE A 79 2.129 -2.920 5.457 1.00 0.00 C ATOM 1221 CD1 ILE A 79 4.962 -2.686 4.605 1.00 0.00 C ATOM 0 H ILE A 79 3.015 -5.473 6.266 1.00 0.00 H new ATOM 0 HA ILE A 79 0.952 -5.043 4.310 1.00 0.00 H new ATOM 0 HB ILE A 79 2.616 -3.399 3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.372 -4.472 5.666 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.665 -4.725 3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.634 -1.954 5.433 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.068 -2.780 5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.251 -3.369 6.442 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.022 -2.834 4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.840 -2.261 3.609 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.542 -2.004 5.344 1.00 0.00 H new ATOM 1233 N LEU A 80 3.599 -6.809 3.464 1.00 0.00 N ATOM 1234 CA LEU A 80 4.137 -7.680 2.411 1.00 0.00 C ATOM 1235 C LEU A 80 3.016 -8.483 1.700 1.00 0.00 C ATOM 1236 O LEU A 80 2.839 -8.343 0.490 1.00 0.00 O ATOM 1237 CB LEU A 80 5.214 -8.633 3.008 1.00 0.00 C ATOM 1238 CG LEU A 80 6.640 -8.007 2.950 1.00 0.00 C ATOM 1239 CD1 LEU A 80 7.569 -8.753 3.926 1.00 0.00 C ATOM 1240 CD2 LEU A 80 7.235 -8.109 1.525 1.00 0.00 C ATOM 0 H LEU A 80 4.140 -6.806 4.329 1.00 0.00 H new ATOM 0 HA LEU A 80 4.604 -7.049 1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.961 -8.864 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.209 -9.575 2.460 1.00 0.00 H new ATOM 0 HG LEU A 80 6.560 -6.956 3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.566 -8.315 3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.176 -8.668 4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.623 -9.805 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.230 -7.665 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.302 -9.157 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.592 -7.577 0.823 1.00 0.00 H new ATOM 1252 N PRO A 81 2.260 -9.307 2.401 1.00 0.00 N ATOM 1253 CA PRO A 81 1.160 -10.111 1.771 1.00 0.00 C ATOM 1254 C PRO A 81 0.072 -9.218 1.157 1.00 0.00 C ATOM 1255 O PRO A 81 -0.648 -9.639 0.251 1.00 0.00 O ATOM 1256 CB PRO A 81 0.610 -10.965 2.945 1.00 0.00 C ATOM 1257 CG PRO A 81 0.986 -10.194 4.171 1.00 0.00 C ATOM 1258 CD PRO A 81 2.352 -9.579 3.848 1.00 0.00 C ATOM 0 HA PRO A 81 1.514 -10.719 0.939 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.470 -11.094 2.872 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.050 -11.962 2.952 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.249 -9.423 4.394 1.00 0.00 H new ATOM 0 HG3 PRO A 81 1.042 -10.844 5.044 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.530 -8.668 4.419 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.168 -10.264 4.079 1.00 0.00 H new ATOM 1266 N MET A 82 -0.045 -7.991 1.658 1.00 0.00 N ATOM 1267 CA MET A 82 -1.054 -7.061 1.149 1.00 0.00 C ATOM 1268 C MET A 82 -0.751 -6.676 -0.298 1.00 0.00 C ATOM 1269 O MET A 82 -1.663 -6.472 -1.099 1.00 0.00 O ATOM 1270 CB MET A 82 -1.113 -5.795 2.024 1.00 0.00 C ATOM 1271 CG MET A 82 -2.389 -4.996 1.716 1.00 0.00 C ATOM 1272 SD MET A 82 -3.826 -5.880 2.370 1.00 0.00 S ATOM 1273 CE MET A 82 -5.013 -4.528 2.189 1.00 0.00 C ATOM 0 H MET A 82 0.538 -7.619 2.407 1.00 0.00 H new ATOM 0 HA MET A 82 -2.022 -7.561 1.185 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.094 -6.071 3.078 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.235 -5.176 1.841 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.326 -4.003 2.161 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.493 -4.857 0.640 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.877 -4.715 2.826 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.543 -3.589 2.482 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.336 -4.464 1.150 1.00 0.00 H new ATOM 1283 N LEU A 83 0.534 -6.560 -0.621 1.00 0.00 N ATOM 1284 CA LEU A 83 0.938 -6.175 -1.969 1.00 0.00 C ATOM 1285 C LEU A 83 0.447 -7.203 -2.987 1.00 0.00 C ATOM 1286 O LEU A 83 -0.023 -6.837 -4.065 1.00 0.00 O ATOM 1287 CB LEU A 83 2.464 -6.059 -2.050 1.00 0.00 C ATOM 1288 CG LEU A 83 2.992 -5.179 -0.905 1.00 0.00 C ATOM 1289 CD1 LEU A 83 4.516 -5.089 -1.011 1.00 0.00 C ATOM 1290 CD2 LEU A 83 2.377 -3.763 -0.973 1.00 0.00 C ATOM 0 H LEU A 83 1.306 -6.725 0.025 1.00 0.00 H new ATOM 0 HA LEU A 83 0.491 -5.208 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.915 -7.050 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.753 -5.631 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 83 2.709 -5.626 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.901 -4.467 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.946 -6.088 -0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.789 -4.648 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.765 -3.158 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.639 -3.298 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.292 -3.833 -0.891 1.00 0.00 H new ATOM 1302 N ALA A 84 0.546 -8.483 -2.640 1.00 0.00 N ATOM 1303 CA ALA A 84 0.093 -9.540 -3.540 1.00 0.00 C ATOM 1304 C ALA A 84 -1.409 -9.409 -3.789 1.00 0.00 C ATOM 1305 O ALA A 84 -1.881 -9.595 -4.909 1.00 0.00 O ATOM 1306 CB ALA A 84 0.386 -10.915 -2.935 1.00 0.00 C ATOM 0 H ALA A 84 0.931 -8.811 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 84 0.628 -9.441 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.043 -11.693 -3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.459 -11.021 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.135 -11.012 -1.982 1.00 0.00 H new ATOM 1312 N GLY A 85 -2.151 -9.089 -2.730 1.00 0.00 N ATOM 1313 CA GLY A 85 -3.600 -8.937 -2.833 1.00 0.00 C ATOM 1314 C GLY A 85 -3.966 -7.770 -3.744 1.00 0.00 C ATOM 1315 O GLY A 85 -4.904 -7.858 -4.536 1.00 0.00 O ATOM 0 H GLY A 85 -1.774 -8.931 -1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.039 -9.856 -3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.023 -8.775 -1.842 1.00 0.00 H new ATOM 1319 N LEU A 86 -3.222 -6.677 -3.621 1.00 0.00 N ATOM 1320 CA LEU A 86 -3.476 -5.494 -4.434 1.00 0.00 C ATOM 1321 C LEU A 86 -3.179 -5.777 -5.906 1.00 0.00 C ATOM 1322 O LEU A 86 -3.912 -5.343 -6.790 1.00 0.00 O ATOM 1323 CB LEU A 86 -2.598 -4.333 -3.945 1.00 0.00 C ATOM 1324 CG LEU A 86 -3.051 -3.867 -2.542 1.00 0.00 C ATOM 1325 CD1 LEU A 86 -1.992 -2.915 -1.966 1.00 0.00 C ATOM 1326 CD2 LEU A 86 -4.423 -3.140 -2.605 1.00 0.00 C ATOM 0 H LEU A 86 -2.442 -6.585 -2.970 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.528 -5.225 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.555 -4.647 -3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.658 -3.502 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.162 -4.743 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.303 -2.581 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.037 -3.436 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.883 -2.052 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.714 -2.825 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.342 -2.266 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.176 -3.819 -3.005 1.00 0.00 H new ATOM 1338 N ALA A 87 -2.098 -6.500 -6.164 1.00 0.00 N ATOM 1339 CA ALA A 87 -1.721 -6.817 -7.537 1.00 0.00 C ATOM 1340 C ALA A 87 -2.865 -7.517 -8.271 1.00 0.00 C ATOM 1341 O ALA A 87 -3.085 -7.285 -9.460 1.00 0.00 O ATOM 1342 CB ALA A 87 -0.476 -7.705 -7.544 1.00 0.00 C ATOM 0 H ALA A 87 -1.472 -6.875 -5.451 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.502 -5.884 -8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.201 -7.937 -8.573 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.347 -7.182 -7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.686 -8.630 -7.007 1.00 0.00 H new ATOM 1348 N GLN A 88 -3.591 -8.371 -7.556 1.00 0.00 N ATOM 1349 CA GLN A 88 -4.712 -9.100 -8.147 1.00 0.00 C ATOM 1350 C GLN A 88 -5.799 -8.139 -8.629 1.00 0.00 C ATOM 1351 O GLN A 88 -6.623 -8.495 -9.472 1.00 0.00 O ATOM 1352 CB GLN A 88 -5.309 -10.067 -7.118 1.00 0.00 C ATOM 1353 CG GLN A 88 -4.295 -11.166 -6.793 1.00 0.00 C ATOM 1354 CD GLN A 88 -4.870 -12.101 -5.735 1.00 0.00 C ATOM 1355 OE1 GLN A 88 -6.012 -12.545 -5.853 1.00 0.00 O ATOM 1356 NE2 GLN A 88 -4.143 -12.427 -4.701 1.00 0.00 N ATOM 0 H GLN A 88 -3.426 -8.576 -6.571 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.336 -9.659 -9.004 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.578 -9.527 -6.210 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.226 -10.509 -7.509 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.052 -11.728 -7.695 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.366 -10.722 -6.434 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.197 -12.058 -4.606 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.521 -13.051 -3.988 1.00 0.00 H new ATOM 1365 N LYS A 89 -5.805 -6.924 -8.079 1.00 0.00 N ATOM 1366 CA LYS A 89 -6.807 -5.914 -8.445 1.00 0.00 C ATOM 1367 C LYS A 89 -6.297 -5.044 -9.589 1.00 0.00 C ATOM 1368 O LYS A 89 -7.006 -4.161 -10.070 1.00 0.00 O ATOM 1369 CB LYS A 89 -7.110 -5.032 -7.230 1.00 0.00 C ATOM 1370 CG LYS A 89 -7.770 -5.875 -6.138 1.00 0.00 C ATOM 1371 CD LYS A 89 -8.035 -5.003 -4.911 1.00 0.00 C ATOM 1372 CE LYS A 89 -8.699 -5.845 -3.821 1.00 0.00 C ATOM 1373 NZ LYS A 89 -8.931 -5.003 -2.615 1.00 0.00 N ATOM 0 H LYS A 89 -5.130 -6.613 -7.380 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.715 -6.423 -8.769 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.190 -4.586 -6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.767 -4.212 -7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.705 -6.298 -6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.125 -6.712 -5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.100 -4.583 -4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.677 -4.164 -5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.645 -6.248 -4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.066 -6.696 -3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.383 -5.576 -1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.022 -4.639 -2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.551 -4.206 -2.862 1.00 0.00 H new ATOM 1387 N ARG A 90 -5.066 -5.309 -10.018 1.00 0.00 N ATOM 1388 CA ARG A 90 -4.454 -4.559 -11.114 1.00 0.00 C ATOM 1389 C ARG A 90 -4.314 -3.083 -10.739 1.00 0.00 C ATOM 1390 O ARG A 90 -4.807 -2.199 -11.440 1.00 0.00 O ATOM 1391 CB ARG A 90 -5.302 -4.707 -12.393 1.00 0.00 C ATOM 1392 CG ARG A 90 -4.504 -4.239 -13.618 1.00 0.00 C ATOM 1393 CD ARG A 90 -5.372 -4.371 -14.869 1.00 0.00 C ATOM 1394 NE ARG A 90 -4.628 -3.936 -16.047 1.00 0.00 N ATOM 1395 CZ ARG A 90 -4.394 -2.646 -16.280 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -3.717 -2.288 -17.337 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -4.843 -1.741 -15.455 1.00 0.00 N ATOM 0 H ARG A 90 -4.471 -6.038 -9.624 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.459 -4.963 -11.301 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.601 -5.747 -12.521 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.217 -4.121 -12.301 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.190 -3.203 -13.487 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.598 -4.836 -13.726 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.690 -5.406 -14.992 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.275 -3.771 -14.759 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.280 -4.634 -16.705 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.368 -2.996 -17.983 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.537 -1.300 -17.517 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.374 -2.021 -14.630 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.663 -0.753 -15.634 1.00 0.00 H new ATOM 1411 N VAL A 91 -3.640 -2.821 -9.617 1.00 0.00 N ATOM 1412 CA VAL A 91 -3.431 -1.445 -9.146 1.00 0.00 C ATOM 1413 C VAL A 91 -2.036 -1.284 -8.548 1.00 0.00 C ATOM 1414 O VAL A 91 -1.701 -0.226 -8.019 1.00 0.00 O ATOM 1415 CB VAL A 91 -4.493 -1.084 -8.100 1.00 0.00 C ATOM 1416 CG1 VAL A 91 -5.888 -1.186 -8.730 1.00 0.00 C ATOM 1417 CG2 VAL A 91 -4.398 -2.048 -6.913 1.00 0.00 C ATOM 0 H VAL A 91 -3.230 -3.538 -9.018 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.521 -0.771 -9.998 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.323 -0.065 -7.752 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.643 -0.929 -7.987 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.959 -0.497 -9.571 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.055 -2.204 -9.080 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.154 -1.788 -6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.564 -3.068 -7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.408 -1.974 -6.463 1.00 0.00 H new ATOM 1427 N LEU A 92 -1.216 -2.338 -8.640 1.00 0.00 N ATOM 1428 CA LEU A 92 0.154 -2.302 -8.108 1.00 0.00 C ATOM 1429 C LEU A 92 1.101 -3.049 -9.037 1.00 0.00 C ATOM 1430 O LEU A 92 0.776 -4.124 -9.541 1.00 0.00 O ATOM 1431 CB LEU A 92 0.193 -2.930 -6.704 1.00 0.00 C ATOM 1432 CG LEU A 92 1.624 -2.904 -6.113 1.00 0.00 C ATOM 1433 CD1 LEU A 92 2.161 -1.456 -6.017 1.00 0.00 C ATOM 1434 CD2 LEU A 92 1.586 -3.528 -4.713 1.00 0.00 C ATOM 0 H LEU A 92 -1.475 -3.223 -9.076 1.00 0.00 H new ATOM 0 HA LEU A 92 0.474 -1.262 -8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.485 -2.390 -6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.163 -3.959 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 92 2.288 -3.469 -6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.167 -1.468 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.187 -1.011 -7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.508 -0.868 -5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.587 -3.517 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.912 -2.954 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.232 -4.557 -4.783 1.00 0.00 H new ATOM 1446 N GLU A 93 2.285 -2.473 -9.253 1.00 0.00 N ATOM 1447 CA GLU A 93 3.297 -3.086 -10.113 1.00 0.00 C ATOM 1448 C GLU A 93 4.689 -2.679 -9.646 1.00 0.00 C ATOM 1449 O GLU A 93 4.932 -1.516 -9.324 1.00 0.00 O ATOM 1450 CB GLU A 93 3.090 -2.669 -11.572 1.00 0.00 C ATOM 1451 CG GLU A 93 3.065 -1.143 -11.686 1.00 0.00 C ATOM 1452 CD GLU A 93 2.763 -0.741 -13.125 1.00 0.00 C ATOM 1453 OE1 GLU A 93 3.686 -0.731 -13.923 1.00 0.00 O ATOM 1454 OE2 GLU A 93 1.612 -0.454 -13.410 1.00 0.00 O ATOM 0 H GLU A 93 2.566 -1.582 -8.843 1.00 0.00 H new ATOM 0 HA GLU A 93 3.199 -4.170 -10.047 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.890 -3.074 -12.191 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.155 -3.085 -11.948 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.310 -0.731 -11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.025 -0.730 -11.376 1.00 0.00 H new ATOM 1461 N ARG A 94 5.598 -3.645 -9.595 1.00 0.00 N ATOM 1462 CA ARG A 94 6.957 -3.370 -9.150 1.00 0.00 C ATOM 1463 C ARG A 94 7.651 -2.427 -10.130 1.00 0.00 C ATOM 1464 O ARG A 94 8.167 -2.913 -11.124 1.00 0.00 O ATOM 1465 CB ARG A 94 7.745 -4.680 -9.033 1.00 0.00 C ATOM 1466 CG ARG A 94 9.130 -4.405 -8.434 1.00 0.00 C ATOM 1467 CD ARG A 94 9.890 -5.722 -8.260 1.00 0.00 C ATOM 1468 NE ARG A 94 10.225 -6.290 -9.562 1.00 0.00 N ATOM 1469 CZ ARG A 94 10.830 -7.471 -9.665 1.00 0.00 C ATOM 1470 NH1 ARG A 94 11.120 -7.954 -10.842 1.00 0.00 N ATOM 1471 NH2 ARG A 94 11.138 -8.145 -8.590 1.00 0.00 N ATOM 1472 OXT ARG A 94 7.657 -1.234 -9.873 1.00 0.00 O ATOM 0 H ARG A 94 5.421 -4.616 -9.853 1.00 0.00 H new ATOM 0 HA ARG A 94 6.917 -2.892 -8.171 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.202 -5.386 -8.405 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.849 -5.141 -10.015 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.691 -3.734 -9.084 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.027 -3.904 -7.472 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.800 -5.551 -7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.283 -6.428 -7.693 1.00 0.00 H new ATOM 0 HE ARG A 94 9.991 -5.772 -10.409 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.883 -7.427 -11.682 1.00 0.00 H new ATOM 0 HH12 ARG A 94 11.584 -8.859 -10.922 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.915 -7.767 -7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.602 -9.050 -8.671 1.00 0.00 H new TER 1486 ARG A 94